Daily Papers

We present a non-perturbative framework for the quantum treatment of vibrational excitation in molecular systems driven by electric fields with arbitrary time dependence. For harmonic potentials with linear dipole coupling, the field-induced dynamics is exactly described by a displaced coherent state, whose evolution is completely determined by a complex phase-space coordinate. Closed-form expressions for this coordinate reveal a clear distinction between resonant and non-resonant regimes. The resulting vibrational populations follow a Poisson distribution determined by a dimensionless time-dependent phase-space displacement, for both resonant and non-resonant driving. Resonant driving results in an enhanced phase-space displacement, whereas finite detuning between the driving and vibrational frequencies leads to an exponential suppression of the phase-space displacement and vibrational excitation. While the approach reduces to the standard time-dependent perturbation theory in the weak-field limit, it remains valid in the strong-field regime, where perturbative treatments fail. Our results provide a transparent phase-space picture of vibrational control and enable non-perturbative state preparation in ultrafast spectroscopy.

We develop a perturbative framework for systems coupled quadratically to bosonic environments with quadratic Hamiltonians and linear Lindblad operators. The method applies to both single-mode and multimode environments whose initial states may be non-Gaussian and nonstationary. By combining linear evolution in a doubled operator space with a characteristic-function representation, we express ordered multitime environmental correlation functions in terms of derivatives of the initial characteristic function. These correlation functions enter a recursive construction of the time-convolutionless generator at arbitrary finite order. We illustrate the method with a qubit coupled to a damped mode via a two-photon interaction. Initial Fock and thermal states with identical first and second field moments produce different second-order generators through their fourth moments.

We present a non-perturbative formulation of quantum gravity in asymptotically flat spacetimes using Witten's cubic open string field theory (OSFT) on unstable D-branes. Given that the massless spin-2 sector of the closed string spectrum inherently encodes the degrees of freedom of quantum gravity, we establish this connection by mapping on-shell closed string excitations directly to gauge-invariant operators in OSFT, realizing a concrete flat-space analogue of the AdS/CFT correspondence. By evaluating the OSFT correlation functions of these operators perturbatively around the tachyon vacuum, we systematically reproduce the all-orders genus expansion of the closed string S-matrix for the associated states. This demonstrates that closed string theory-and thus quantum gravity-emerges dynamically from the open string tachyon vacuum, establishing Witten's OSFT as a fully calculable, non-perturbative framework for flat-space quantum gravity.

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.

We argue that BF theory with SO(d+1,1) gauge group provides a SymTFT ''skeleton'' for building AdS_{d+1}/CFT_d pairs via gluing consistency as the bootstrap principle, loosely analogous to how compact Chern-Simons theory is a TQFT skeleton for rational CFTs. This is a non-perturbative bulk framework for quantum gravity. The bootstrap is formulated as presentation independence of physical amplitudes within a universal, defect-closed BF sewing calculus, which includes Wilson lines, codimension-two monodromy defects, and their junctions. The flat BF connection encodes the conformal geometry of the boundary, while Wilson-line path integrals construct candidate quantum-gravity microstates and charge sectors. When the bootstrapped spectrum has a stress tensor, Ward identities naturally connect it to the B-field, a relation we call generalized simplicity. In large-N, large-gap regimes admitting a gravitational EFT, this motivates the introduction of an effective notion of the B-field. In the Einstein limit, this becomes the ''simplicity'' relation used in spin-foam models. Conventional spin-foam models try to obtain gravity by constraining BF theory. We suggest instead that BF theory is the Platonic sewing skeleton, from which theories are to be bootstrapped. Despite the topological nature of the skeleton, perturbative local bulk fields can emerge via Wilson-towers of multi-trace primaries, reproducing their one-loop determinants. We note that the BF Fourier kernel is a suggestive higher-dimensional analogue of the modular-S structure. Because the bulk gluing principle in itself does not require a boundary description, the framework is conceptually broader than AdS/CFT. We sketch how de Sitter space may fit into this picture, with a natural role for observers. Our approach elevates gluing consistency to a universal bulk principle underlying theories of quantum gravity.

I propose a Hamiltonian framework for chiral gauge theories (CGT) based on a Euclidean formulation which uses 2n dimensional chiral fermions on the boundary of a 2n+1 dimensional disk. In the original Euclidean formulation, boundary gauge fields were extended into the bulk using 2n + 1 dimensional gauge field equations of motion (EOM) which creates a bottleneck for constructing a Hamiltonian. I present an alternate proposal for extending the gauge fields into the bulk that is compatible with both a Hamiltonian framework and a Euclidean path integral. Applying this to Abelian gauge fields produces exact expressions of interior fields as a functional of the boundary fields, which can be directly used in a Hamiltonian formulation. Euclidean analysis of the new gauge field extension shows that it can preserve the non-perturbative content of the original construction, including the behavior of topological charge, associated chiral fermion zero modes and an absence of the strong CP problem when applied to the Standard Model. This construction opens up a route to a Hamiltonian treatment and future quantum simulation of CGTs on a disk boundary.

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.

A vision--language--action (VLA) policy can complete complex tasks while ignoring the evidence that should determine its actions. An object held near the wrist camera can displace the instructed target. Language and action show the same pattern: a familiar noun can trigger the operation it was paired with in training even after the verb changes, and a gripper that closed on nothing may lift anyway. We call these dependencies modality shortcuts: regularities in successful demonstrations make visual, lexical, or motor cues sufficient to predict expert actions without the task evidence needed for the underlying decision. More demonstrations of the same kind can raise task success while leaving these shortcuts intact. We propose Perturbot which makes task-relevant evidence easier to use and shortcuts insufficient on their own: it applies task-preserving wrist-view perturbations, enriches instructions with decision-relevant captions, and adds random and failed trajectory segments relabeled with the behavior they contain. It complements scaling by changing what is scaled, and leaves inference unchanged. Moreover, we propose GroundingFscore, an offline score that diagnoses how severely a policy relies on modality shortcuts. Task success rate shows whether a policy improves, while GroundingFscore reveals whether the policy scales healthily, relying on task evidence rather than shortcuts. Together, Perturbot and GroundingFscore provide a training-and-evaluation framework for disentangling VLA decisions from shortcut priors while preserving responsiveness to task-relevant evidence.

Collinear splitting functions govern parton evolution, parton showers, and resummation at high-energy colliders. While on-shell spinor-helicity methods have successfully yielded massless QCD splitting functions, a complete on-shell construction for massive particles, systematically incorporating finite-mass effects, is less developed. We present an on-shell constructive formalism for massive collinear splitting functions based on Soper-Weinberg collinear spinors, whose transformation properties follow from a light-front Galilean subgroup of the Poincaré group. Decomposing massive momenta and spinors with respect to fixed lightlike vectors n and bar n makes the expansion in the alignment regime m<p_Tll p_+ manifest. The leading-order structures are matched to massless three-point amplitudes, while an additional Higgs momentum along bar n probes the subleading spinor components and relates them to massless four-point amplitudes. We derive the complete set of leading and subleading massive splitting functions for all Standard Model particles and establish a systematic matching dictionary between massless and massive coupling coefficients at both the three- and four-point levels. Higher-point splitting functions are obtained through the recursive bootstrap relation with a universal substitution rule as a consequence of the Galilean symmetry. This constructive framework extends naturally to effective field theory operators and higher perturbative orders, providing a flexible computational tool for precision collider physics and parton shower development.

We modify the NN/QFT duality [1] to incorporate the layerwise permutation symmetry of the network, resulting in a (0!+!1)-dimensional lattice gauge theory, in which each layer of N neurons acts as an N-component lattice site, and the weight matrices play the role of gauge fields living on the links. In this framework, we compute the tree-level neuron-neuron propagator which describes the evolution of layer variance in the network, and develop the Feynman diagram machinery to compute interactions in the perturbative expansion in 1/N. In particular, we obtain a recursive expression for all corrections to the exact propagator at O(1), representing statistical fluctuations in the ensemble of networks, including infinitely-many loop diagrams mediating the interactions from previous layers. We also present a preliminary analysis of neuron scattering amplitudes that contribute order-by-order in 1/N, which provides a field-theoretic framework for studying higher-point correlations, and by extension information propagation, in deep networks. We remark on some interesting directions for future work at the intersection of neural networks and quantum field theory.

We show how to construct perturbative effective field theories for strong phase transitions, where the standard tools of high-temperature dimensional reduction fail. By identifying the relevant power counting relations for the couplings, masses and background fields, we construct a controlled perturbative expansion adapted to this regime. We find that the order parameter field remains light at the transition, so that there is a controlled derivative expansion, even though large external fields need to be resummed. The resulting effective field theories for strong phase transitions live in three dimensions and have nonpolynomial field dependence. Applying our framework to a two-scalar model, we verify renormalisation scale cancellation through next-to-next-to-leading order and find decreasing corrections to the latent heat as the perturbative order is increased. Extending to include fermions and gauge fields, we identify a broad class of models in which strong-transition thermodynamics are systematically improvable.

Energy extrapolation is a well-established strategy for approaching quantum-chemical limits without performing prohibitively expensive calculations. Complete basis set extrapolation is widely used, whereas extrapolation across electronic structure methods remains much less developed. Method-Space Effective-Rank Correlation Energy Extrapolation (MERCE) is introduced as an adaptive effective-rank framework for estimating high-rank finite-basis correlation energies from second-order Moller-Plesset perturbation theory (MP2), coupled cluster with single and double excitations (CCSD), and CCSD with perturbative triples [CCSD(T)]. The method assigns adaptive effective ranks to MP2 and CCSD(T) from the local MP2-CCSD-CCSD(T) correlation energy pattern and fits a compact three-point extrapolation form for each system. A hierarchical model-selection protocol balances cross-dataset transferability, maximum dataset-level mean absolute error (MAE) ratios, robustness on developmental sets referenced to full configuration interaction (FCI), size-consistency defects, and performance for A24 noncovalent interaction energies. Across the chemically diverse benchmarks used during model development, the selected MERCE model substantially reduces CCSD(T) errors and frequently improves upon the tested higher-rank coupled cluster baselines. Transferability is further assessed using calculations performed only after the functional form and parameters were frozen. Formal nonadditivity is quantified using artificial noninteracting pairs and the actual A24 and selected S66 component calculations.

A path-integral approach to quantum acoustics is developed here. In contrast to the commonly utilized particle perspective, this emerging field brings forth a long neglected but essential wave paradigm for lattice vibrations. Within the coherent state picture, we formulate a non-Markovian, stochastic master equation that captures the exact dynamics of any system with coupling linear in the bath coordinates and nonlinear in the system coordinates. We further demonstrate the capability of the presented master equation by applying the corresponding procedure to the eminent Fr\"ohlich model. In general, we establish a solid foundation for quantum acoustics as a kindred framework to quantum optics, while paving the way for deeper first-principle explorations of non-perturbative system dynamics driven by lattice vibrations.

Estimating the symbolic or analytical form of probability density functions (PDFs) from observed samples is a fundamental challenge in statistical and computational modelling. This process is critical for deriving interpretable and generalizable relationships characterizing the underlying phenomenon. Traditionally, this estimation depends strongly on domain expertise and prior field-specific knowledge, with experts selecting appropriate functional forms or parametric families based on empirical evidence and theoretical understanding. The coefficients of these forms are then typically determined through parameter estimation. In this paper, we develop a framework for estimating symbolic expressions of unnormalized distributions from observed samples using domain-specific prior knowledge, such as the range of interactions and a predefined set of primitive functions. We integrate deep generative models with symbolic regression (SR), incorporating inductive biases, such as factorizing large distributions, to keep the problem tractable. The deep generative models we examine include likelihood-based models, viz., flow models, and score-based models. Experiments show the effectiveness of the proposed framework for estimating density functions for multivariate toy distributions as well as lattices from computational physics, namely, XY model and ϕ^4 theory. When applied to the renormalization problem in ϕ^4 theory, the proposed framework estimates compact symbolic approximations of the hamiltonian function at different scales directly from samples, yielding expressions that may be challenging to derive using traditional perturbative or analytic approaches in nonperturbative settings.

Tree-level matrix elements sit at the heart of collider event generation, but their cost rises rapidly just where additional resolved radiation becomes most important. We present pyAmpliCol, a public generator aimed at extending the practical reach of colour-resolved matrix elements to higher multiplicities. It builds on the colour-ordered, off-shell-current strategy of AmpliCol, providing fast access to individual leading-colour flows while retaining the option of next-to-leading or exact full colour. The latter introduces its own high-multiplicity bottleneck: the dense interference of factorially many colour orderings. pyAmpliCol addresses this contraction with a fast Fourier transform on the symmetric group, preserving the exact colour result while avoiding the direct pairwise sum. Representative full-colour benchmarks demonstrate substantial speedups over the reference calculations considered here. It supports Standard Model processes and a broad class of UFO models, selected or summed helicities, vectorised evaluation and controllable numerical precision. It further provides colour- and spin-correlated Born quantities and tree-level colour connections at arbitrary perturbative order, opening the same framework to local subtraction and other higher-order applications. Together, these capabilities connect high-multiplicity matrix elements to their use in event generation, merging, parton showers and precision calculations within a single generator.

Many-body perturbation theory is a powerful framework to calculate spectroscopic quantities, as well as the total energy. However, the field suffers from the fact that different flavors of approximations lead to a wide range of results. We present several in principle exact expansions and discuss how to use them consistently. We concentrate on the first two orders in the respective screened Coulomb interaction. Of special interest is a consistent expansion around the Kohn-Sham system. We illustrate the performance of the various choices using the symmetric Hubbard dimer over a wide range of correlation strength. In particular, the expansion based on exact Kohn-Sham ingredients stands out as a promising route towards good energies and good spectra.

Deep Learning using the eponymous deep neural networks (DNNs) has become an attractive approach towards various data-based problems of theoretical physics in the past decade. There has been a clear trend to deeper architectures containing increasingly more powerful and involved layers. Contrarily, Taylor coefficients of DNNs still appear mainly in the light of interpretability studies, where they are computed at most to first order. However, especially in theoretical physics numerous problems benefit from accessing higher orders, as well. This gap motivates a general formulation of neural network (NN) Taylor expansions. Restricting our analysis to multilayer perceptrons (MLPs) and introducing quantities we refer to as propagators and vertices, both depending on the MLP's weights and biases, we establish a graph-theoretical approach. Similarly to Feynman rules in quantum field theories, we can systematically assign diagrams containing propagators and vertices to the corresponding partial derivative. Examining this approach for S-wave scattering lengths of shallow potentials, we observe NNs to adapt their derivatives mainly to the leading order of the target function's Taylor expansion. To circumvent this problem, we propose an iterative NN perturbation theory. During each iteration we eliminate the leading order, such that the next-to-leading order can be faithfully learned during the subsequent iteration. After performing two iterations, we find that the first- and second-order Born terms are correctly adapted during the respective iterations. Finally, we combine both results to find a proxy that acts as a machine-learned second-order Born approximation.

An observable in an Effective Field Theory (EFT) is an expansion in a set of small parameters, no different than any other perturbation series. Truncating such a series expansion leaves the leading dropped term as the dominant source of error, and that term itself contains a calculable portion. We explore the partial calculation of this next-order error, available at dim-6^2 in SMEFT with no additional tools needed to simulate it, and explore how to efficiently use that partial calculation to model the next-order uncertainty in full using a minimal number of nuisance parameters. This estimate of the uncertainty of the EFT signal rate naturally imposes EFT validity by ensuring that bounds are driven by kinematic regions where truncation uncertainties are parametrically smaller than the signal. We incorporate the calculable dim-6^2 piece into the signal and cover the remaining higher-dimension uncertainty with a small set of nuisance parameters derived from a scan over Wilson-coefficient values. Our algorithm to determine the relevant nuisance parameters and distributions is automation-friendly and applies to arbitrary truncation choices. We then provide multiple examples of its implementation in high-energy collider processes focused on SMEFT truncated at O(Λ^{-2}), where the dim-6^2 piece is used to estimate the full mathcal O(Λ^{-4}) dependence. In the examples considered here the reduction of nuisance parameters is appreciable, generically reducing the nuisance parameter count by an order of magnitude compared to naïve estimates.

Large language models perform near-Bayesian inference yet violate permutation invariance on exchangeable data. We resolve this by showing transformers minimize expected conditional description length (cross-entropy) over orderings, E_pi[ell(Y mid Gamma_pi(X))], which admits a Kolmogorov-complexity interpretation up to additive constants, rather than the permutation-invariant description length ell(Y mid X). This makes them Bayesian in expectation, not in realization. We derive (i) a Quantified Martingale Violation bound showing order-induced deviations scale as O(log n) with constants; (ii) the Expectation-level Decompression Law linking information budgets to reliability for Bernoulli predicates; and (iii) deployable planners (B2T/RoH/ISR) for answer/abstain decisions. Empirically, permutation dispersion follows a+bln n (Qwen2-7B b approx 0.377, Llama-3.1-8B b approx 0.147); permutation mixtures improve ground-truth likelihood/accuracy; and randomized dose-response shows hallucinations drop by sim 0.13 per additional nat. A pre-specified audit with a fixed ISR=1.0 achieves near-0\% hallucinations via calibrated refusal at 24\% abstention. The framework turns hallucinations into predictable compression failures and enables principled information budgeting.

We develop an asymptotic perturbation theory for the large logarithmic behavior of the non-linear integro-differential equation describing the soft correlations of QCD jet measurements, the Banfi-Marchesini-Smye (BMS) equation. This equation captures the late-time evolution of radiating color dipoles after a hard collision. This allows us to prove that at large values of the control variable (the non-global logarithm, a function of the infra-red energy scales associated with distinct hard jets in an event), the distribution has a gaussian tail. We compute the decay width analytically, giving a closed form expression, and find it to be jet geometry independent, up to the number of legs of the dipole in the active jet. Enabling the asymptotic expansion is the correct perturbative seed, where we perturb around an anzats encoding formally no real emissions, an intuition motivated by the buffer region found in jet dynamics. This must be supplemented with the correct application of the BFKL approximation to the BMS equation in collinear limits. Comparing to the asymptotics of the conformally related evolution equation encountered in small-x physics, the Balitisky-Kovchegov (BK) equation, we find that the asymptotic form of the non-global logarithms directly maps to the black-disc unitarity limit of the BK equation, despite the contrasting physical pictures. Indeed, we recover the equations of saturation physics in the final state dynamics of QCD.

In a low-energy effective field theory (EFT), scaling logarithmic terms arise from the renormalization of higher-dimensional couplings that absorb divergences generated by loop integrals with lower-order vertices. Consequently, leading logarithms (LLs) are generated entirely by the leading-order Lagrangian, rendering them universal low-energy predictions. Adapting techniques developed for chiral perturbation theory, we analyze the series of LLs in the EFT of general relativity. As a concrete application, we compute LL corrections to the scalar pole mass up to three-loop order and demonstrate that they can be determined recursively to arbitrary loop order. To confirm the physical validity of our results, we carry out the calculation using a general gauge-fixing parameter and explicitly verify its complete cancellation in the physical observable.

A fully differential calculation in perturbative quantum chromodynamics is presented for the production of massive photon pairs at hadron colliders. All next-to-leading order perturbative contributions from quark-antiquark, gluon-(anti)quark, and gluon-gluon subprocesses are included, as well as all-orders resummation of initial-state gluon radiation valid at next-to-next-to-leading logarithmic accuracy. The region of phase space is specified in which the calculation is most reliable. Good agreement is demonstrated with data from the Fermilab Tevatron, and predictions are made for more detailed tests with CDF and DO data. Predictions are shown for distributions of diphoton pairs produced at the energy of the Large Hadron Collider (LHC). Distributions of the diphoton pairs from the decay of a Higgs boson are contrasted with those produced from QCD processes at the LHC, showing that enhanced sensitivity to the signal can be obtained with judicious selection of events.

Calculating the action and the interaction Hamiltonian at higher orders in cosmological perturbation theory is a cumbersome task. We employ the formalism of EFT of inflation in models of single field ultra slow-roll inflation and obtain a non-perturbative result for the Hamiltonian in terms of the Goldstone field pi. To complete the dictionary, a non-linear relation between the curvature perturbations and pi is presented. Equipped with these non-linear results, we calculate the higher order loop corrections in USR models which are employed for PBHs formation. It is shown that the loop corrections on long CMB scales increase rapidly with the number of loop L and the setup will go out of perturbative control at the four-loop level.

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

Foundation Models are neural networks that are capable of simultaneously solving many problems. Large Language Foundation Models like ChatGPT have revolutionized many aspects of daily life, but their impact for science is not yet clear. In this paper, we use a new Foundation Model for hadronic jets to solve three key challenges in collider physics. In particular, we show how experiments can (1) save significant computing power when developing reconstruction algorithms, (2) perform a complete uncertainty quantification for high-dimensional measurements, and (3) search for new physics with model agnostic methods using low-level inputs. In each case, there are significant computational or methodological challenges with current methods that limit the science potential of deep learning algorithms. By solving each problem, we take jet Foundation Models beyond proof-of-principle studies and into the toolkit of practitioners.

We give an overview of the light-front holographic approach to strongly coupled QCD, whereby a confining gauge theory, quantized on the light front, is mapped to a higher-dimensional anti de Sitter (AdS) space. The framework is guided by the AdS/CFT correspondence incorporating a gravitational background asymptotic to AdS space which encodes the salient properties of QCD, such as the ultraviolet conformal limit at the AdS boundary at z to 0, as well as modifications of the geometry in the large z infrared region to describe confinement and linear Regge behavior. There are two equivalent procedures for deriving the AdS/QCD equations of motion: one can start from the Hamiltonian equation of motion in physical space time by studying the off-shell dynamics of the bound state wavefunctions as a function of the invariant mass of the constituents. To a first semiclassical approximation, where quantum loops and quark masses are not included, this leads to a light-front Hamiltonian equation which describes the bound state dynamics of light hadrons in terms of an invariant impact variable ζ which measures the separation of the partons within the hadron at equal light-front time. Alternatively, one can start from the gravity side by studying the propagation of hadronic modes in a fixed effective gravitational background. Both approaches are equivalent in the semiclassical approximation. This allows us to identify the holographic variable z in AdS space with the impact variable ζ. Light-front holography thus allows a precise mapping of transition amplitudes from AdS to physical space-time. The internal structure of hadrons is explicitly introduced and the angular momentum of the constituents plays a key role.

We study the mixing between a generic axion-like particle (ALP) and the light pseudoscalar mesons within chiral perturbation theory (χPT), and its consequences for low-energy scattering and decay processes. Starting from the most general ALP effective Lagrangian, we derive the ALP-meson kinetic and mass mixing induced at leading order in the ALP decay constant and isospin breaking for arbitrary ALP masses. As a result, we obtain the physical ALP mass to O(F^2/f_a^2), recovering the QCD-axion limit and finding that any ALP with a vanishing bare mass shares the QCD-axion mass. We provide a compact parameterization of every four-body amplitude involving pseudoscalar mesons and an arbitrary number of ALPs. As an illustration, we show the KKto P^0a scattering. The framework applies for general ALP masses and couplings and consistently incorporates isospin breaking, essential for otherwise forbidden processes.

The production of a top-quark pair, the heaviest known elementary particle, in association with a light jet is a key process for studying the properties of the Standard Model of Particle Physics. Due to its significance as a signal process with considerable sensitivity to the top-quark mass and as a background process for new physics searches, it is crucial to predict differential cross sections with high precision. In this article, we present, for the first time, predictions for various kinematical observables at next-to-next-to-leading order in Quantum Chromodynamics. The perturbative behavior is analyzed, and uncertainties arising from missing higher-order contributions are substantially reduced. The necessary two-loop amplitudes have been evaluated in the leading-color approximation, and we provide estimates for the impact of the missing contributions.

We study resonance expansions and localised long-time dynamics for three-dimensional semiclassical Dirac operators. For smooth Hermitian matrix-valued perturbations which are analytic outside a compact set, we first obtain exponential cut-off resolvent bounds away from the resonance set and polynomial bounds in thin resonance-free rectangles adjacent to the real axis. Combining these estimates with a local Oc(h^{-3}) upper bound on the number of resonances, a pigeonhole selection of admissible contours, almost-analytic functional calculus, and a Cauchy--Green deformation, we derive resonance expansions for spectrally localised propagators. Positive-energy resonances contribute for large positive times, whereas negative-energy resonances contribute for large negative times. We then specialise to mass-type perturbations mbfβV(x) in a nontrapping energy window. Using the logarithmic resonance-free region established in our earlier work together with a quantitative FBI-transform/escape-function argument, we obtain a polynomial bound for the continued cut-off resolvent and deduce rapid local-energy decay. We subsequently refine this polynomial estimate by a finite-time propagation argument in the undistorted region. Introducing the maximal positive-sheet connection time T_χ associated with the spatial cutoff, we prove a geometric continued-resolvent estimate and, for every fixed M below the resonance-free depth constant, derive the explicit local-energy decay threshold T_N>T_χ+(N+1)/M. The same analysis gives a rigorous microlocal obstruction to a uniform [hlog(1/h)]^{-1} bound for the full distorted resolvent and identifies a finite-flight-time amplification mechanism for the sandwiched continued resolvent at logarithmic depth.

A new approach to solving random matrix models directly in the large N limit is developed. First, a set of numerical values for some low-pt correlation functions is guessed. The large N loop equations are then used to generate values of higher-pt correlation functions based on this guess. Then one tests whether these higher-pt functions are consistent with positivity requirements, e.g., langle tr M^{2k} rangle ge 0. If not, the guessed values are systematically ruled out. In this way, one can constrain the correlation functions of random matrices to a tiny subregion which contains (and perhaps converges to) the true solution. This approach is tested on single and multi-matrix models and handily reproduces known solutions. It also produces strong results for multi-matrix models which are not believed to be solvable. A tantalizing possibility is that this method could be used to search for new critical points, or string worldsheet theories.

Motivated by applications in Diophantine approximation, we develop a new fibering mechanism for non-degenerate manifolds in R^n, showing that they admit local decompositions into families of non-degenerate curves with uniform quantitative non-degeneracy properties. The manifolds are required to be C^N with the essentially optimal bound Ngeq maxlbrace n,l+1rbrace, where the manifold is l non-degenerate. Furthermore, we show that this uniform quantitative local control can be globalised into a qualitative statement, so that almost every point of a non-degenerate manifold lies on a non-degenerate curve contained in the manifold. Our approach is perturbative and shows that the fibering structure arising in the analytic setting is stable under sufficiently small C^N perturbations. The method provides a framework for extending fibering based results in Diophantine approximation from curves to manifolds. Such applications are considered in the paper.

We perform a lattice QCD calculation of the hadronic light-by-light contribution to (g-2)_μ at the SU(3) flavor-symmetric point m_π=m_Ksimeq 420,MeV. The representation used is based on coordinate-space perturbation theory, with all QED elements of the relevant Feynman diagrams implemented in continuum, infinite Euclidean space. As a consequence, the effect of using finite lattices to evaluate the QCD four-point function of the electromagnetic current is exponentially suppressed. Thanks to the SU(3)-flavor symmetry, only two topologies of diagrams contribute, the fully connected and the leading disconnected. We show the equivalence in the continuum limit of two methods of computing the connected contribution, and introduce a sparse-grid technique for computing the disconnected contribution. Thanks to our previous calculation of the pion transition form factor, we are able to correct for the residual finite-size effects and extend the tail of the integrand. We test our understanding of finite-size effects by using gauge ensembles differing only by their volume. After a continuum extrapolation based on four lattice spacings, we obtain a_μ^{rm hlbl} = (65.4pm 4.9 pm 6.6)times 10^{-11}, where the first error results from the uncertainties on the individual gauge ensembles and the second is the systematic error of the continuum extrapolation. Finally, we estimate how this value will change as the light-quark masses are lowered to their physical values.

Algorithms based on normalizing flows are emerging as promising machine learning approaches to sampling complicated probability distributions in a way that can be made asymptotically exact. In the context of lattice field theory, proof-of-principle studies have demonstrated the effectiveness of this approach for scalar theories, gauge theories, and statistical systems. This work develops approaches that enable flow-based sampling of theories with dynamical fermions, which is necessary for the technique to be applied to lattice field theory studies of the Standard Model of particle physics and many condensed matter systems. As a practical demonstration, these methods are applied to the sampling of field configurations for a two-dimensional theory of massless staggered fermions coupled to a scalar field via a Yukawa interaction.

We present a trainable framework for efficiently generating gauge configurations, and discuss ongoing work in this direction. In particular, we consider the problem of sampling configurations from a 4D SU(3) lattice gauge theory, and consider a generalized leapfrog integrator in the molecular dynamics update that can be trained to improve sampling efficiency. Code is available online at https://github.com/saforem2/l2hmc-qcd.

Large linear systems play an important role in high-energy theory, appearing in amplitude bootstraps and during integral reduction. This paper introduces FiniteFieldSolve, a general-purpose toolkit for exactly solving large linear systems over the rationals. The solver interfaces directly with Mathematica, is straightforward to install, and seamlessly replaces Mathematica's native solvers. In testing, FiniteFieldSolve is approximately two orders of magnitude faster than Mathematica and uses an order of magnitude less memory. The package also compares favorably against other public solvers in FiniteFieldSolve's intended use cases. As the name of the package suggests, solutions are obtained via well-known finite field methods. These methods suffer from introducing an inordinate number of modulo (or integer division) operations with respect to different primes. By automatically recompiling itself for each prime, FiniteFieldSolve converts the division operations into much faster combinations of instructions, dramatically improving performance. The technique of compiling the prime can be applied to any finite field solver, where the time savings will be solver dependent. The operation of the package is illustrated through a detailed example of an amplitude bootstrap.

As part of a PhD thesis entitled `Scalar perturbations in warm inflation and during reheating' we present a software for computing warm inflation observables. In particular, our Mathematica implementation computes the power spectrum, spectral tilt, and tensor-to-scalar ratio for a given momentum scale. Compared with other implementations, we start in a Bunch-Davies state deep inside the horizon, ideally at a time when thermal noise is exponentially suppressed. We integrate gauge-invariant equations for three curvature perturbations across horizon exit. We continue deep enough outside of horizon so that all curvature perturbations agree. Results are illustrated for Standard Model embedded warm inflation, and we also provide notebooks for several other popular potentials and friction coefficients. The theoretical foundations for the code can be found in the main part of the thesis or in earlier papers [1,2]. Specifically, part II derives gauge-invariant, model-agnostic evolution equations, as well as the noise autocorrelator interpolating between quantum and classical domains. Part III presents the general ideas behind the numerical implementation, while part IV presents selected results. The code is described, line-by-line, in Appendix A. The published PhD thesis is available at https://doi.org/10.48620/101166 while the notebooks can be downloaded from https://github.com/alicarogeljblackhole/Warm-Inflation.

In quantum mechanics the modulus square of the wave function is the probability of an event --- positivity is self-evident. Quantum field theory corresponds to quantum mechanics one-to-one: the wave function corresponds to the matrix element, so the probability of a process should be the modulus square of the matrix element, positive by construction. In the founding era of perturbative quantum field theory, however, Feynman, Schwinger and Tomonaga treated inclusive processes in quantum electrodynamics, where the truncation of the squared amplitude was forced by infrared cancellations and rendered harmless by the small coupling αsimeq1/137. Carried over to exclusive processes in quantum chromodynamics, where the coupling is large, this practice produced negative decay and production rates already at NLO, persisting at NNLO. We point out that for exclusive processes, whose initial and final states are colorless for QCD and electrically neutral for QED, the infrared divergences cancel amplitude by amplitude and the KLN constraint is absent, so the complete modulus square of the truncated amplitude is the proper, manifestly positive definition of the probability. We formulate amplitude-level NRQCD factorization as the systematic prescription that restores positivity, show that every amplitude-level truncated observable admits the effective representation Γ^{amp}=Γ_{LO}bigl|1+α_sπ(c_1+ic_2)+α_s^2{π^2}(c_3+ic_4)bigr|^2, and demonstrate, with the complete NNLO QCD corrections to J/ψto3γ, Υto3γ, e^+e^-to J/ψ+J/ψ and the eight exclusive charmonium production channels at B factories, that the prescription yields positive and better-converging predictions.

The perturbative QCD corrections to the hadronic decay width of the W boson are currently known up to next-to-next-to-next-to-next-to-leading order (N^4LO), whereas the exact N^5LO correction remains unavailable owing to its formidable computational complexity. In this work, we estimate the N^5LO contributions by adopting Bayesian analysis (BA). Before performing the estimation, the Principle of Maximum Conformality (PMC) is employed to improve the precision of the initial scale-dependent perturbative series. Through recursive application of the renormalization group equation, non-conformal terms are absorbed into the strong running coupling, yielding a scheme-independent, scale-invariant perturbative series with improved convergence. The PMC procedure determines an effective coupling α_s(Q_*), with the PMC scale fixed as Q_* = 100.102~GeV at next-to-next-to-leading logarithmic accuracy. Based on the improved and more precise series, the 95.5% BA credible interval yields an uncertainty of Δδ_QCD|_{PMC, BA}^{N^5LO} = pm 1.0times 10^{-5}. The resulting hadronic branching ratio is B(Wto hadrons)|_PMC = (65.84pm 1.54)%, which is consistent with experimental data within reasonable errors.

This study introduces amangkurat, an open-source Python library designed for the robust numerical simulation of relativistic scalar field dynamics governed by the nonlinear Klein-Gordon equation in (1+1)D spacetime. The software implements a hybrid computational strategy that couples Fourier pseudo-spectral spatial discretization with a symplectic Størmer-Verlet temporal integrator, ensuring both exponential spatial convergence for smooth solutions and long-term preservation of Hamiltonian structure. To optimize performance, the solver incorporates adaptive timestepping based on Courant-Friedrichs-Lewy (CFL) stability criteria and utilizes Just-In-Time (JIT) compilation for parallelized force computation. The library's capabilities are validated across four canonical physical regimes: dispersive linear wave propagation, static topological kink preservation in phi-fourth theory, integrable breather dynamics in the sine-Gordon model, and non-integrable kink-antikink collisions. Beyond standard numerical validation, this work establishes a multi-faceted analysis framework employing information-theoretic entropy metrics (Shannon, Rényi, and Tsallis), kernel density estimation, and phase space reconstruction to quantify the distinct phenomenological signatures of these regimes. Statistical hypothesis testing confirms that these scenarios represent statistically distinguishable dynamical populations. Benchmarks on standard workstation hardware demonstrate that the implementation achieves high computational efficiency, making it a viable platform for exploratory research and education in nonlinear field theory.

We present a new approach for evaluating Feynman integrals numerically. We apply the recently-proposed framework of physics-informed deep learning to train neural networks to approximate the solution to the differential equations satisfied by the Feynman integrals. This approach relies neither on a canonical form of the differential equations, which is often a bottleneck for the analytical techniques, nor on the availability of a large dataset, and after training yields essentially instantaneous evaluation times. We provide a proof-of-concept implementation within the PyTorch framework, and apply it to a number of one- and two-loop examples, achieving a mean magnitude of relative difference of around 1% at two loops in the physical phase space with network training times on the order of an hour on a laptop GPU.

Diffusion models have achieved remarkable success in generative modeling, with their sampling procedures routinely modified to control generation and improve efficiency. These modifications introduce perturbations along the sampling trajectory, raising a central question: how do such perturbations affect generated output? To address this question, we develop a theoretical framework to investigate perturbation propagation, combining dynamical analysis of the sampling process with an information-theoretic characterization of output responses. Within this framework, we quantify perturbation strength using the Kullback--Leibler (KL) divergence between perturbed and reference trajectory distributions, termed as path cost, which is shown to bound, but do not determine, changes in the output distribution. Building on this analysis, we derive a response identity that connects the propagation and accumulation of local perturbations with the information captured by a selected feature mean, explaining why changes in the output distribution can remain undetected by its first-order response. We test our theoretical analysis through controlled interventions at equal path cost in pretrained diffusion models, revealing distinct patterns of output sensitivity across sampling stages and spatial frequencies. To assess whether our framework can diagnose perturbations arising from practical approximations, we apply it to cache-based acceleration and show that our propagation analysis reliably identifies sampling intervals where caching causes larger image errors.

Predicting cellular responses to unseen chemical perturbations is challenging due to unknown targets and mechanisms, high-dimensional expression responses, and limited experimental coverage of the large small-molecule design space. We propose PerturbPFN, a PFN-style amortized model for unknown-target perturbation prediction under a hierarchical synthetic structural prior. Instead of directly regressing high-dimensional expression responses, PerturbPFN infers a latent system graph, sparse atomic intervention targets, and intervention strengths, then propagates their effects through an SCM decoder. The model is trained entirely on prior-predictive synthetic episodes generated from biologically motivated graph and expression simulators, enabling structured in-context learning without test-time gradient updates. We evaluate PerturbPFN on both real single-cell perturbation data and synthetic benchmarks, covering effect prediction, target identification, and regulatory structure discovery. Our results show that PerturbPFN offers a complementary trade-off to specialized baselines, achieving competitive perturbation prediction with low inference cost while exposing interpretable intermediate estimates of targets, strengths, and system structure.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Analytical framework for predicting General Matrix Multiplication (GEMM) performance on modern GPUs, focusing on runtime, power consumption, and energy efficiency. Our study employs two approaches: a custom-implemented tiled matrix multiplication kernel for fundamental analysis, and NVIDIA's CUTLASS library for comprehensive performance data collection across advanced configurations. Using the NVIDIA RTX 4070 as our experimental platform, we developed a Random Forest-based prediction model with multi-output regression capability. Through analysis of both naive tiled matrix multiplication with varying tile sizes (1 to 32) and 16,128 CUTLASS GEMM operations across diverse configurations, we identified critical performance patterns related to matrix dimensions, thread block configurations, and memory access patterns. Our framework achieved exceptional accuracy with an R^2 score of 0.98 for runtime prediction (mean error 15.57%) and 0.78 for power prediction (median error 5.42%). The system successfully predicts performance across matrix sizes, demonstrating robust scaling behavior. Our results show that optimal tile size selection can improve performance by up to 3.2x while reducing power consumption by 22% compared to baseline configurations. Analysis of shared memory utilization and SM occupancy reveals that tile sizes of 16x16 achieve the best balance between parallelism and resource usage. The implementation of our framework, including prediction models and analysis tools, is available as an open-source project at GPPerf [https://github.com/pavlyhalim/GPPerf].

Let G be a Lie group equipped with commuting left and right linear representations on a vector space V, and let GJoin V be the associated centered semidirect product. We develop a reduction scheme for covariant field theories on principal bundles with structure group GJoin V from both Lagrangian and Hamiltonian perspectives, obtaining the reduced Euler-Poincaré and Lie-Poisson field equations decomposed into their mathfrak g- and V-components, where mathfrak g is the Lie algebra of G. We also derive the reduced multisymplectic form formula, as well as the Noether and energy-momentum balance laws. Our reduction results are compared with those for principal bundles with standard semidirect-product structure groups, and the role of the centered variables is investigated: they retain the original two-sided geometric data and separate the left and right contributions via the heart and diamond operators. The framework is then applied to a two-sided matrix microstructural model and to the second-order jet group on mathbb R^r, G_r^2. For the matrix model, the conjugation representation decomposes Mat(3) into scalar, vector, and symmetric-traceless sectors, clarifying its precise relation to director and alignment-tensor variables without identifying it with standard nematodynamics. For the one-dimensional jet group on a (1+1)-dimensional Minkowski base, we obtain a semilinear symmetric-hyperbolic system and an exact traveling conversion front with explicit energy-momentum exchange between the linear- and quadratic-jet sectors. Its hyperbolic-target interpretation yields a conserved positive energy for the linearized perturbations. A nonlinear numerical experiment illustrates the reduced evolution and reconstruction of the group-valued field, with consistency assessed through mesh refinement and an independent wave-map computation.

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.

Neural PDE solvers provide efficient surrogates for time-dependent physical systems, but autoregressive prediction over long horizons remains challenging because local errors can induce distribution shift and accumulate under recursive deployment. We develop a variational approach to this problem by introducing latent Markov dynamics in which physical states are represented by latent distributions and evolved through probabilistic transitions. The framework is formulated directly on function spaces and specialized to functional Gaussian models, where structured latent perturbations induce a spectral geometry and variational transition alignment regularizes the learned dynamics. We further analyze how these mechanisms affect autoregressive error propagation, providing a theoretical connection between variational training and long-horizon prediction. We instantiate the framework as the Variational Autoencoding Markov Operator (VAMO), which combines spatially resolved latent fields, structured Gaussian perturbations, and a neural-operator transition. Empirically, we demonstrate the effectiveness of VAMO on several fluid-dynamics benchmarks with prediction horizons extending substantially beyond those represented during training, where it consistently reduces error accumulation and improves rollout stability over several deterministic and noise-injection baselines. Overall, these results highlight variational modeling as a complementary approach to robust long-horizon neural PDE dynamics.

An open-source C++ framework for discovering fast matrix multiplication schemes using the flip graph approach is presented. The framework supports multiple coefficient rings -- binary (Z_2), modular ternary (Z_3) and integer ternary (Z_T = {-1,0,1}) -- and implements both fixed-dimension and meta-dimensional search operators. Using efficient bit-level encoding of coefficient vectors and OpenMP parallelism, the tools enable large-scale exploration on commodity hardware. The study covers 680 schemes ranging from (2 times 2 times 2) to (16 times 16 times 16), with 276 schemes now in Z_T coefficients and 117 in integer coefficients. With this framework, the multiplicative complexity (rank) is improved for 79 matrix multiplication schemes. Notably, a new 4 times 4 times 10 scheme requiring only 115 multiplications is discovered, achieving ωapprox 2.80478 and beating Strassen's exponent for this specific size. Additionally, 93 schemes are rediscovered in ternary coefficients that were previously known only over rationals or integers, and 68 schemes in integer coefficients that previously required fractions. All tools and discovered schemes are made publicly available to enable reproducible research.

Building Virtual Cells that can accurately simulate cellular responses to perturbations is a long-standing goal in systems biology. A fundamental challenge is that high-throughput single-cell sequencing is destructive: the same cell cannot be observed both before and after a perturbation. Thus, perturbation prediction requires mapping unpaired control and perturbed populations. Existing models address this by learning maps between distributions, but typically assume a single fixed response distribution when conditioned on observed cellular context (e.g., cell type) and the perturbation type. In reality, responses vary systematically due to unobservable latent factors such as microenvironmental fluctuations and complex batch effects, forming a manifold of possible distributions for the same observed conditions. To account for this variability, we introduce PerturbDiff, which shifts modeling from individual cells to entire distributions. By embedding distributions as points in a Hilbert space, we define a diffusion-based generative process operating directly over probability distributions. This allows PerturbDiff to capture population-level response shifts across hidden factors. Benchmarks on established datasets show that PerturbDiff achieves state-of-the-art performance in single-cell response prediction and generalizes substantially better to unseen perturbations. See our project page (https://katarinayuan.github.io/PerturbDiff-ProjectPage/), where code and data will be made publicly available (https://github.com/DeepGraphLearning/PerturbDiff).

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

We develop a Gaussian comparison theory for posterior inference in non-Gaussian high-dimensional models. The framework allows for model misspecification and does not require the posterior distribution itself to be approximately Gaussian. Working directly with likelihood processes on separable function spaces, we establish explicit nonasymptotic free energy bounds controlled by first two moment discrepancies and local third moments. A perturbation-and-convexity argument transfers these comparisons to sandwich bounds for posterior mean squared error and posterior variance, including one-sided conclusions at nondifferentiable phase transitions. In high-dimensional product models, these conditions reduce to local moment controls and a canonical feature-radius scaling. Under weak regularity requirements, the resulting universality theory applies to a broad class of likelihood models, ranging from exponential families to more general regular local log-likelihoods. The framework is illustrated on sparse Bernoulli hypergraph inference.

The precise equivalence between discretized Euclidean field theories and a certain class of probabilistic graphical models, namely the mathematical framework of Markov random fields, opens up the opportunity to investigate machine learning from the perspective of quantum field theory. In this contribution we will demonstrate, through the Hammersley-Clifford theorem, that the φ^{4} scalar field theory on a square lattice satisfies the local Markov property and can therefore be recast as a Markov random field. We will then derive from the φ^{4} theory machine learning algorithms and neural networks which can be viewed as generalizations of conventional neural network architectures. Finally, we will conclude by presenting applications based on the minimization of an asymmetric distance between the probability distribution of the φ^{4} machine learning algorithms and target probability distributions.

AI-based cellular perturbation prediction is essential to accelerate drug discovery and therapeutic identification. However, perturbation-specific signals are generally obscured by cellular complexity, making it difficult for existing methods to correctly capture perturbation effects. To address this problem, we propose PerturbEnergy, which introduces a conditional energy-based prior over perturbation representations. It assigns lower energy (higher probability) to representations compatible with the given perturbation and higher energy to others, thereby explicitly tilting the latent space toward perturbation-preferred regions. Besides, PerturbEnergy can be integrated into autoencoder architectures as we find its Evidence Lower Bound (ELBO) is equivalent to the ELBO of the complete autoencoder. We further prove that optimizing PerturbEnergy increases the lower bound on the conditional mutual information between representation and perturbation. Extensive experiments on four benchmark datasets demonstrate the effectiveness of our PerturbEnergy: it improves perturbation recognition especially in latent space with improvement of up to 83.2\%; It also achieves state-of-the-art performance for predicting top-50/100/200 differentially expressed gene(DEG) response and remaining competitive on highly variable gene(HVG) prediction. The code is provided: https://github.com/BlueWhaleLab/PerturbEnergy

Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of deep neural networks. In this article, we present a relatively new mathematical framework that provides the beginning of a deeper understanding of deep learning. This framework precisely characterizes the functional properties of neural networks that are trained to fit to data. The key mathematical tools which support this framework include transform-domain sparse regularization, the Radon transform of computed tomography, and approximation theory, which are all techniques deeply rooted in signal processing. This framework explains the effect of weight decay regularization in neural network training, the use of skip connections and low-rank weight matrices in network architectures, the role of sparsity in neural networks, and explains why neural networks can perform well in high-dimensional problems.

Formulating a quantum theory of gravity lies at the heart of fundamental theoretical physics. This collection of lecture notes encompasses a selection of topics that were covered in six mini-courses at the Nordita PhD school "Towards Quantum Gravity". The scope was to provide a coherent picture, from its foundation to forefront research, emphasizing connections between different areas. The lectures begin with perturbative quantum gravity and effective field theory. Subsequently, two ultraviolet-complete approaches are presented: asymptotically safe gravity and string theory. Finally, elements of quantum effects in black hole spacetimes are discussed.

The measure of indirect CP violation in the neutral kaon system, ε_K, is an important precision test of the Standard Model. A first-principles Standard Model prediction of ε_K requires evaluating the long-distance contribution in which the ΔS = 2 process proceeds via two ΔS = 1 operators. The non-perturbative nature of QCD in the relevant energy regimes requires a lattice QCD simulation. In this paper we present the two-loop, O(α_s) RI/SMOM - text{MS} matching factors required to renormalize a lattice QCD calculation of the long-distance contribution to ε_K.

We study the energy-energy correlator (EEC) in heavy states of four-dimensional mathcal N=4 super Yang--Mills theory in the large-charge 't Hooft limit, in which the dimension Δ of the heavy operator (or, equivalently, its R-charge) is taken to infinity with the effective coupling λ_Q propto g_{YM}^2Δ held fixed. The relevant heavy-heavy-light-light four-point correlators are known to all orders in λ_Q in this limit. For certain classes of operators, the perturbative series can be resummed to obtain exact finite-coupling expressions. We use these results to determine the corresponding EEC, whose dynamical part can be extracted from a double discontinuity of the four-point correlator. We determine the EEC at finite effective coupling and study its physical behavior as a function of λ_Q and the angular separation between the detectors, both at generic angles and in the collinear and back-to-back limits.

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.

We introduce the use of reinforcement-learning (RL) techniques to the conformal-bootstrap programme. We demonstrate that suitable soft Actor-Critic RL algorithms can perform efficient, relatively cheap high-dimensional searches in the space of scaling dimensions and OPE-squared coefficients that produce sensible results for tens of CFT data from a single crossing equation. In this paper we test this approach in well-known 2D CFTs, with particular focus on the Ising and tri-critical Ising models and the free compactified boson CFT. We present results of as high as 36-dimensional searches, whose sole input is the expected number of operators per spin in a truncation of the conformal-block decomposition of the crossing equations. Our study of 2D CFTs uses only the global so(2,2) part of the conformal algebra, and our methods are equally applicable to higher-dimensional CFTs. When combined with other, already available, numerical and analytical methods, we expect our approach to yield an exciting new window into the non-perturbative structure of arbitrary (unitary or non-unitary) CFTs.

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

In the quantum inverse scattering method, the sine-Gordon model is solved on a lattice, and its continuum and infinite-volume limits become uniform only after the length of the box is rescaled. We show that this rescaling, supplemented by an on-shell condition, defines a renormalization scheme. The whole dependence on the cut-off is absorbed into a factor Z_L multiplying the length of the box, with an exponent fixed by the scaling dimension of the vertex operator; neither the field nor the coupling β is renormalized, no subtraction scale is introduced, and the mass parameter receives a finite renormalization, fixed by requiring that the lightest breather has the mass of the boson in the linearized theory. The soliton and breather masses follow from the eigenvalues of the monodromy operator as functions of parameters that do not run, and reduce to the classical and semiclassical results as βrightarrow0. In particular, the mass ratios are produced directly from the regularized construction, while the relation between the lattice parameters and the physical scale is absorbed into Z_L and never needs to be computed. The scheme is a reparameterization of the theory which makes explicit the interplay between integrability and renormalization. We compare it with Coleman's normal ordering and with conformal perturbation theory, and we argue that it extends to ultralocal integrable theories with a massive spectrum, possibly including asymptotically free models that admit an ultralocal lattice regularization.

We update predictions for observables in the "delicate" D3/anti-D3 inflationary model on the conifold. We use a full CMB likelihood calculation to assess goodness-of-fit, which is necessary because in this model the zeta power spectrum often cannot be modelled as a power-law over observable scales. For the first time we are able to provide accurate forecasts for the amplitude of three-point correlations. In a significant portion of its parameter space the model follows Maldacena's single-field prediction fNL ~ -(5/12)(ns-1) if nt << 1. Therefore |fNL| is usually small when the power spectrum satisfies observational constraints. In a small number of cases the bispectrum is instead dominated by effects from rapid switching between angular minima. The resulting amplitudes are larger, but mostly with unacceptable spectral behaviour. In the most extreme case we obtain |fNLeq| ~ 75 at kt/3 = 0.002/Mpc. It has been suggested that the quasi-single field inflation ("QSFI") mechanism could produce significant 3-point correlations in this model. We do observe rare shifts in amplitude between equilateral and squeezed configurations that could possibly be associated with QSFI effects, but more investigation is needed to establish the full bispectrum shape. There is evidence of "shape" running between equilateral and squeezed configurations that may be inherited from the scale dependence of the spectrum. We explore the dependence of observables on discrete choices such as the truncation point of the potential. Our analysis illustrates the advantages of a standard format for information exchange within the inflationary model-building and testing community.

The Redfield equation with time-dependent coefficients (or TCL2 equation) gives one of the simplest perturbative descriptions of open quantum system dynamics derived from a microscopic theory. Its status as an approximation is nevertheless subtle: while perturbation theory fixes the reduced dynamics order-by-order in the system-environment coupling, solving the Redfield equation yields a particular resummation that need not preserve complete positivity. Here we compare Redfield evolution with an exponentiated (Magnus) resummation of the same second-order perturbative map, which is completely positive and trace preserving (CPTP) for a broad class of physical conditions. We also construct a simple CPTP resolvent resummation, illustrating the non-uniqueness of resummations of the same perturbative map. The Redfield and Magnus prescriptions agree to second order but differ through time-ordering corrections at higher orders. We exhibit a weak-coupling criterion which guarantees that Redfield evolution, even when non-Markovian, remains close to a CPTP map. We illustrate the criterion in two examples, focusing on finite-dimensional (qubit) systems. Our results clarify when, and why, Redfield evolution can remain reliable even when it is highly non-Lindbladian.

Foundation models use large datasets to build an effective representation of data that can be deployed on diverse downstream tasks. Previous research developed the OmniLearn foundation model for jet physics, using unique properties of particle physics, and showed that it could significantly advance discovery potential across collider experiments. This paper introduces a major upgrade, resulting in the OmniLearned framework. This framework has three new elements: (1) updates to the model architecture and training, (2) using over one billion jets used for training, and (3) providing well-documented software for accessing all datasets and models. We demonstrate OmniLearned with three representative tasks: top-quark jet tagging with the community Delphes-based benchmark dataset, b-tagging with ATLAS full simulation, and anomaly detection with CMS experimental data. In each case, OmniLearned is the state of the art, further expanding the discovery potential of past, current, and future collider experiments.

Time-Series Foundation Models (TSFMs) are rapidly transitioning from research prototypes to core components of critical decision-making systems, driven by their impressive zero-shot forecasting capabilities. However, as their deployment surges, a critical blind spot remains: their fragility under adversarial attacks. This lack of scrutiny poses severe risks, particularly as TSFMs enter high-stakes environments vulnerable to manipulation. We present a systematic, diagnostic study arguing that for TSFMs, robustness is not merely a secondary metric but a prerequisite for trustworthy deployment comparable to accuracy. Our evaluation framework, explicitly tailored to the unique constraints of time series, incorporates normalized, sparsity-aware perturbation budgets and unified scale-invariant metrics across white-box and black-box settings. Across six representative TSFMs, we demonstrate that current architectures are alarmingly brittle: even small perturbations can reliably steer forecasts toward specific failure modes, such as trend flips and malicious drifts. We uncover TSFM-specific vulnerability patterns, including horizon-proximal brittleness, increased susceptibility with longer context windows, and weak cross-model transfer that points to model-specific failure modes rather than generic distortions. Finally, we show that simple adversarial fine-tuning offers a cost-effective path to substantial robustness gains, even with out-of-domain data. This work bridges the gap between TSFM capabilities and safety constraints, offering essential guidance for hardening the next generation of forecasting systems.

We advocate a strategy of bootstrapping Feynman integrals from just knowledge of their singular behavior. This approach is complementary to other bootstrap programs, which exploit non-perturbative constraints such as unitarity, or amplitude-level constraints such as gauge invariance. We begin by studying where a Feynman integral can become singular, and the behavior it exhibits near these singularities. We then characterize the space of functions that we expect the integral to evaluate to, in order to formulate an appropriate ansatz. Finally, we derive constraints on where each singularity can appear in this ansatz, and use information about the expansion of the integral around singular points in order to determine the value of all remaining free coefficients. Throughout, we highlight how constraints that have previously only been derived for integrals with generic masses can be extended to integrals involving particles of equal or vanishing mass. We illustrate the effectiveness of this approach by bootstrapping a number of examples, including the four-point double box with a massive internal loop.

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

We introduce an open-source package called QTraj that solves the Lindblad equation for heavy-quarkonium dynamics using the quantum trajectories algorithm. The package allows users to simulate the suppression of heavy-quarkonium states using externally-supplied input from 3+1D hydrodynamics simulations. The code uses a split-step pseudo-spectral method for updating the wave-function between jumps, which is implemented using the open-source multi-threaded FFTW3 package. This allows one to have manifestly unitary evolution when using real-valued potentials. In this paper, we provide detailed documentation of QTraj 1.0, installation instructions, and present various tests and benchmarks of the code.

Asymptotic Safety provides a promising framework for the quantization of Scalar-Tensor theories as non-perturbatively renormalizable quantum field theories. Over the past years, growing evidence has accumulated for the existence of non-trivial renormalization group fixed points in a variety of Scalar-Tensor models. In this work, we investigate the robustness of these fixed points under significant modifications of the computational setup. In particular, we employ a gauge condition that explicitly depends on the dynamical scalar field, going beyond a mere gauge-parameter deformation of the standard linear covariant gauges commonly used in the literature. Exploring different field parameterizations, we identify fixed points belonging to the Gaussian Matter class in four spacetime dimensions that are consistent with previous studies. The real part of the critical exponents associated with the scalar-field mass and the non-minimal scalar-curvature coupling turn out to have very small absolute value. We provide a comprehensive exploration of how the anomalous dimension of the scalar field and field parameterization impact those critical exponents showing that fixed-point candidates with two or four relevant directions emerge.

We study the pole mass for a heavy quark probe in the Gross--Neveu model, at the first non-trivial order in the 1/N expansion. We show that this mass suffers from a perturbative renormalon ambiguity structurally similar to the one in QCD. The exact large N solution leads however to an explicit expression for the pole mass which can be decoded as a trans-series, and we find that non-perturbative corrections cure the renormalon ambiguity. We also calculate the self-energy of the heavy quark beyond perturbation theory by using the OPE method with condensates, and show that the results are in agreement with the large N solution. The non-perturbative corrections to the pole mass turn out to be determined to a large extent by the condensate corrections to the self-energy. However, there is a class of corrections that has to be reorganized due to on-shell effects and cannot be obtained from the conventional condensate expansion. We discuss possible implications of this toy model for QCD.

Traditional foundation models are pre-trained on broad datasets to reduce the training resources (e.g., time, energy, labeled samples) needed for fine-tuning a wide range of downstream tasks. However, traditional foundation models struggle with out-of-distribution prediction and can produce outputs that are unrealistic and physically infeasible. We propose the notation of physics-guided foundation models (PGFM), that is, foundation models integrated with broad or general domain (e.g., scientific) physical knowledge applicable to a wide range of downstream tasks.

In order to exploit the full potential of the LHC and future colliders, high-precision calculations of a very wide range of observables are crucial. Automated tools for next-to-next-to-leading order calculations of perturbative scattering amplitudes are therefore a highly desirable goal. So far, we have developed several major ingredients of such a tool in the OpenLoops framework. In our approach we split the calculation of scattering amplitudes into three components: loop momentum tensor integrals, the corresponding process-dependent tensor coefficients, and the interplay of (D-4)-dimensional parts of the integrand with divergences of the integrals. In these proceedings, we present a new recursive algorithm to reduce arbitrary two-loop tensor integrals to scalar integrals, which has been implemented into an efficient numerical tool. We also implemented a first version of the subsequent reduction to master integrals, which allows for a full validation of the algorithm. We present a first successful validation computation and discuss its dependence on the precision of the externally computed master integrals.

The KMOC formalism provides a systematic framework for extracting classical observables perturbatively from on-shell scattering amplitudes. In this work, we apply this formalism to compute electromagnetic observables in four dimensions, focusing in particular on the linear memory effect and its tail contributions. Using the leading and subleading soft-photon theorems to construct the soft radiation kernel, we demonstrate how these infrared observables emerge directly from amplitude data. We further show that demanding the expected non-perturbative properties of memory and tail effects imposes a nontrivial set of consistency conditions on the underlying S-matrix. We interpret these constraints as imposing the requirement of macroscopic causality on the S-matrix via analysis of inclusive observables.

Jet taggers built on the Lund declustering tree encode QCD radiation structure in the inputs and process it with graph networks. We ask whether the tree itself can also constrain the computation, and what becomes accessible when it does. For this, we construct a novel quantum-inspired Tree Tensor Network (TTN), where a single tensor core is shared among the internal nodes of the Cambridge/Aachen declustering tree, employing Lund coordinates, and with no particle-identification or detector-level information. The construction is based on a strong prior on the radiation history rather than on the constituents, complementary to compact equivariant taggers. Because the same learned map acts identically at every node, the trained model can be evaluated on truncated trees and its latent space compared across recursions, and used to localise where on the Lund jet plane the Pythia and Herwig jet representations diverge, showing the regions of generator-dependent concentration. The χ=8 model has 4014 trainable parameters against approximately 391,000 for LundNet. We evaluate boosted top tagging and quark/gluon discrimination at particle level on Pythia and Herwig samples, in both native (PythiatoPythia) and transfer (PythiatoHerwig) configurations. Despite differing in capacity by two orders of magnitude, the TTN reaches native performance close to LundNet in quark/gluon discrimination, slightly underperforming in top tagging, with a similar Pythia-to-Herwig transfer behavior in both tasks. Finally, we show the behavior of the network as a function of the bond dimension, and as a function of the perturbative scale.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset (γp to ρ^0 p to π^+π^- p), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which relies on a feedforward neural network, the selection of physically-meaningful features and, when applicable, joint-learning. Next to being faster in terms of training time, this approach is shown to outperform current graph-network models on small datasets. In particular, the vibrational entropy at 305 K of crystals is predicted with a mean absolute test error of 0.009 meV/K/atom (four times lower than previous studies). Furthermore, joint-learning reduces the test error compared to single-target learning and enables the prediction of multiple properties at once, such as temperature functions. Finally, the selection algorithm highlights the most important features and thus helps understanding the underlying physics.

Generative machine learning methods, such as diffusion models and flow matching, have shown great potential in modeling complex system behaviors and building efficient surrogate models. However, these methods typically learn the underlying physics implicitly from data. We propose Physics-Based Flow Matching (PBFM), a novel generative framework that explicitly embeds physical constraints, both PDE residuals and algebraic relations, into the flow matching objective. We also introduce temporal unrolling at training time that improves the accuracy of the final, noise-free sample prediction. Our method jointly minimizes the flow matching loss and the physics-based residual loss without requiring hyperparameter tuning of their relative weights. Additionally, we analyze the role of the minimum noise level, sigma_{min}, in the context of physical constraints and evaluate a stochastic sampling strategy that helps to reduce physical residuals. Through extensive benchmarks on three representative PDE problems, we show that our approach yields up to an 8times more accurate physical residuals compared to FM, while clearly outperforming existing algorithms in terms of distributional accuracy. PBFM thus provides a principled and efficient framework for surrogate modeling, uncertainty quantification, and accelerated simulation in physics and engineering applications.

We present the quark weak-mixing component of a Froggatt--Nielsen program, with one flavon and three messengers, in which a single hierarchy parameter B (with εequiv 1/B) and a rational-exponent ``B-lattice'' organize fermion Yukawa textures. Building on companion mass-fit work, we translate the lattice into sharp predictions for quark mixing. The four-magnitude parameterization serves as a practical interface between the flavon Yukawa textures and quark weak mixing observables, yielding coefficient-free ratio tests of the lattice structure.

This paper presents a JAX-Python implementation of the galaxy power spectrum up to one-loop order in the effective field theory of large-scale structure, based on both the Eulerian and Lagrangian perturbation theories. The code uses JAX to enable automatic differentiation with respect to parameters such as cosmology, galaxy bias, or counterterm coefficients. This facilitates applications such as parameter inference using the gradient of the posterior, e.g., Hamiltonian Monte Carlo sampling. The code can compute both the EPT and LPT power spectra in a few milliseconds on a GPU, after just-in-time compilation. We also identify the various sources of numerical errors associated with discretization, and design the numerical implementation to minimize them, achieving relative errors of order 0.01% at scales k lesssim 1, h, Mpc^{-1}, compared with brute-force numerical integration. Notably, this is the first auto-differentiable implementation of the one-loop galaxy power spectrum based on LPT. The natural resummation of the long-wavelength displacements in LPT further makes the code well suited for applications involving features in the power spectrum beyond the standard BAO feature, including primordial features. Our code, elf, is publicly available.

This work presents a probabilistic digital twin framework for response prediction in dynamical systems governed by misspecified physics. The approach integrates Gaussian Process Latent Force Models (GPLFM) and Bayesian Neural Networks (BNNs) to enable end-to-end uncertainty-aware inference and prediction. In the diagnosis phase, model-form errors (MFEs) are treated as latent input forces to a nominal linear dynamical system and jointly estimated with system states using GPLFM from sensor measurements. A BNN is then trained on posterior samples to learn a probabilistic nonlinear mapping from system states to MFEs, while capturing diagnostic uncertainty. For prognosis, this mapping is used to generate pseudo-measurements, enabling state prediction via Kalman filtering. The framework allows for systematic propagation of uncertainty from diagnosis to prediction, a key capability for trustworthy digital twins. The framework is demonstrated using four nonlinear examples: a single degree of freedom (DOF) oscillator, a multi-DOF system, and two established benchmarks -- the Bouc-Wen hysteretic system and the Silverbox experimental dataset -- highlighting its predictive accuracy and robustness to model misspecification.

This work presents a non-perturbative quantum field theoretic computation of spinor tunnelling through a potential barrier. Within position space potential formalism, we identify coupled recursion relations forming a self-consistent integral equation. Our method, enabling both analytical and numerical approaches, transforms into a formalism admitting both numerical framework for arbitrary potentials and analytical exact results for select barriers. For the rectangular barrier, the QFT-derived amplitudes reproduce the relativistic quantum mechanical (RQM) results, thus establishing a foundation for future calculation of beyond-RQM field-theoretic corrections.

With infinitely many high-quality data points, infinite computational power, an infinitely large foundation model with a perfect training algorithm and guaranteed zero generalization error on the pretext task, can the model be used for everything? This question cannot be answered by the existing theory of representation, optimization or generalization, because the issues they mainly investigate are assumed to be nonexistent here. In this paper, we show that category theory provides powerful machinery to answer this question. We have proved three results. The first one limits the power of prompt-based learning, saying that the model can solve a downstream task with prompts if and only if the task is representable. The second one says fine tuning does not have this limit, as a foundation model with the minimum required power (up to symmetry) can theoretically solve downstream tasks for the category defined by pretext task, with fine tuning and enough resources. Our final result can be seen as a new type of generalization theorem, showing that the foundation model can generate unseen objects from the target category (e.g., images) using the structural information from the source category (e.g., texts). Along the way, we provide a categorical framework for supervised and self-supervised learning, which might be of independent interest.

We investigate detailed properties of imaginary rotating matter with gluons and quarks at high temperature. Previously, we showed that imaginary rotation induces perturbative confinement of gluons at the rotation center. We perturbatively calculate the Polyakov loop potential and find inhomogeneous confinement above a certain threshold of imaginary angular velocity. We also evaluate the quark contribution to the Polyakov loop potential and confirm that spontaneous chiral symmetry breaking occurs in the perturbatively confined phase.

Building local surrogates to accelerate stationary point searches on potential energy surfaces spans decades of effort. Done correctly, surrogates can reduce the number of expensive electronic structure evaluations by roughly an order of magnitude while preserving the accuracy of the underlying theory, with the gain depending on oracle cost, search distance, and the availability of analytical forces. We present a unified Bayesian optimization view of minimization, single-point saddle searches, and double-ended path searches: all three share one six-step surrogate loop and differ only in the inner optimization target and the acquisition criterion. The framework uses Gaussian process regression with derivative observations, inverse-distance kernels, and active learning, and we develop optional extensions for production use, including farthest-point sampling with the Earth Mover's Distance, MAP regularization, an adaptive trust radius, and random Fourier features for scaling. Accompanying pedagogical Rust code demonstrates that all three applications use the same Bayesian optimization loop, bridging the gap between theoretical formulation and practical execution.

Precision beta decay experiments serve as powerful probes of physics beyond the Standard Model, enabling stringent tests of fundamental symmetries of nature. In particular, these experiments primarily focus on precise determinations of the Cabibbo-Kobayashi-Maskawa matrix element Vud and the search for exotic weak currents, both of which depend critically on theoretical calculations of radiative, recoil-order, and isospin-breaking corrections with quantified uncertainties. In recent years, ab initio nuclear many-body methods--grounded in realistic nucleon-nucleon interactions and systematically improvable approximations--have advanced considerably in their ability to compute these higher-order corrections for various nuclei. This review provides a comprehensive overview of state-of-the-art ab initio calculations of beta-decay corrections, encompassing both radiative corrections and recoil-order terms, and examines their significance for precision tests of the Standard Model. We discuss the theoretical formalisms employed, including the integration of effective field theory frameworks with many-body approaches. Particular attention is given to recent results for superallowed Fermi decays (e.g., 10C -> 10B and 14O -> 14C) and allowed Gamow-Teller transitions (e.g., 6He -> 6Li, 8Li -> 8Be, 8B -> 8Be), where ab initio calculations have achieved unprecedented precision. We also highlight emerging calculations for unique forbidden decays, which offer complementary sensitivity to BSM physics. Finally, we outline future directions aimed at extending the reach of ab initio calculations to heavier nuclei and additional decay modes, thereby strengthening the synergy between theory and experiment in the ongoing search for new physics.

The limited availability and accuracy of simulated data has motivated the use of foundation models in high energy physics, with the idea to first train a task-agnostic model on large and potentially unlabeled datasets. This enables the subsequent fine-tuning of the learned representation for specific downstream tasks, potentially requiring much smaller dataset sizes to reach the performance of models trained from scratch. We study how OmniJet-α, one of the proposed foundation models for particle jets, can be used on a new set of tasks, and in a new dataset, in order to reconstruct hadronically decaying τ leptons. We show that the pretraining can successfully be utilized for this multi-task problem, improving the resolution of momentum reconstruction by about 50\% when the pretrained weights are fine-tuned, compared to training the model from scratch. While much work remains ahead to develop generic foundation models for high-energy physics, this early result of generalizing an existing model to a new dataset and to previously unconsidered tasks highlights the importance of testing the approaches on a diverse set of datasets and tasks.

Bayesian models of cognition have gained considerable traction in computational neuroscience and psychiatry. Their scopes are now expected to expand rapidly to artificial intelligence, providing general inference frameworks to support embodied, adaptable, and energy-efficient autonomous agents. A central theory in this domain is predictive coding, which posits that learning and behaviour are driven by hierarchical probabilistic inferences about the causes of sensory inputs. Biological realism constrains these networks to rely on simple local computations in the form of precision-weighted predictions and prediction errors. This can make this framework highly efficient, but its implementation comes with unique challenges on the software development side. Embedding such models in standard neural network libraries often becomes limiting, as these libraries' compilation and differentiation backends can force a conceptual separation between optimization algorithms and the systems being optimized. This critically departs from other biological principles such as self-monitoring, self-organisation, cellular growth and functional plasticity. In this paper, we introduce pyhgf: a Python package backed by JAX and Rust for creating, manipulating and sampling dynamic networks for predictive coding. We improve over other frameworks by enclosing the network components as transparent, modular and malleable variables in the message-passing steps. The resulting graphs can implement arbitrary computational complexities as beliefs propagation. But the transparency of core variables can also translate into inference processes that leverage self-organisation principles, and express structure learning, meta-learning or causal discovery as the consequence of network structural adaptation to surprising inputs. The code, tutorials and documentation are hosted at: https://github.com/ilabcode/pyhgf.

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to successfully mix between modes of different topologies, significantly reducing the computational cost required to generated independent gauge field configurations. Our implementation is available at https://github.com/saforem2/l2hmc-qcd .

We give a simple, fully correct, and assumption-light replacement for the contested "domain-extension" in Step 9 of a recent windowed-QFT lattice algorithm with complex-Gaussian windows~chen2024quantum. The published Step~9 suffers from a periodicity/support mismatch. We present a pair-shift difference construction that coherently cancels all unknown offsets, produces an exact uniform CRT-coset state over Z_{P}, and then uses the QFT to enforce the intended modular linear relation. The unitary is reversible, uses poly(log M_2) gates, and preserves the algorithm's asymptotics. Project Page: https://github.com/yifanzhang-pro/quantum-lattice.

We propose a new framework for estimating generative models via an adversarial process, in which we simultaneously train two models: a generative model G that captures the data distribution, and a discriminative model D that estimates the probability that a sample came from the training data rather than G. The training procedure for G is to maximize the probability of D making a mistake. This framework corresponds to a minimax two-player game. In the space of arbitrary functions G and D, a unique solution exists, with G recovering the training data distribution and D equal to 1/2 everywhere. In the case where G and D are defined by multilayer perceptrons, the entire system can be trained with backpropagation. There is no need for any Markov chains or unrolled approximate inference networks during either training or generation of samples. Experiments demonstrate the potential of the framework through qualitative and quantitative evaluation of the generated samples.

Outer-learning algorithms use infinitesimal sensitivities to propose finite changes to initialization or training parameters. For hard-ReLU training, the derivative of the finite program and the derivative of its flow limit do not by themselves specify the response at a chosen radius. We characterize the intervening regime in which the perturbation radius is proportional to the GD step. Integer event rounding then survives at leading order: smooth Euler bias shifts each discrete phase, and upstream rounding moves downstream branch boundaries. We derive the crossing indices and a uniform endpoint expansion for finitely many separated transverse events in piecewise-C^2 dynamics, away from recursive phase boundaries. In contractive affine regions, an explicit remainder and complete branch verification certify finite candidate comparisons. Scalar phase frequencies and a coupled feedback ablation test the mechanism; frozen nonlinear-network experiments show radius-dependent prediction accuracy, including incomplete branch matches and failed-word tails. Together with local AD and uniform flow consistency, the result identifies sufficient response regimes: differentiating training is a choice of perturbation resolution as well as a choice of derivative.

Linear relaxation based perturbation analysis (LiRPA) for neural networks, which computes provable linear bounds of output neurons given a certain amount of input perturbation, has become a core component in robustness verification and certified defense. The majority of LiRPA-based methods focus on simple feed-forward networks and need particular manual derivations and implementations when extended to other architectures. In this paper, we develop an automatic framework to enable perturbation analysis on any neural network structures, by generalizing existing LiRPA algorithms such as CROWN to operate on general computational graphs. The flexibility, differentiability and ease of use of our framework allow us to obtain state-of-the-art results on LiRPA based certified defense on fairly complicated networks like DenseNet, ResNeXt and Transformer that are not supported by prior works. Our framework also enables loss fusion, a technique that significantly reduces the computational complexity of LiRPA for certified defense. For the first time, we demonstrate LiRPA based certified defense on Tiny ImageNet and Downscaled ImageNet where previous approaches cannot scale to due to the relatively large number of classes. Our work also yields an open-source library for the community to apply LiRPA to areas beyond certified defense without much LiRPA expertise, e.g., we create a neural network with a probably flat optimization landscape by applying LiRPA to network parameters. Our opensource library is available at https://github.com/KaidiXu/auto_LiRPA.

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

Cosmological first-order phase transitions can generate curvature perturbations through inhomogeneous quantum tunneling, as studied previously on superhorizon scales. In this work, we for the first time conduct three-dimensional lattice simulations that incorporate scalar metric perturbations and radiation perturbations, covering a range from bubble wall scales to super-horizon scales. We obtain the precise scalar perturbation power spectrum and the probability density function of energy density perturbations. Furthermore, we simulate the gravitational-wave energy spectra generated by each source during the first-order phase transition, including the scalar field itself, scalar metric perturbations, and the energy density and velocity perturbations of radiation. For gravitational waves, the contribution from other sources can exceed 1/3 of that from the scalar field at superhorizon scales. Additionally, we compare the effects of different values of the transition strength and rate on the results. This paper provides more accurate numerical results for research aimed at detecting or constraining first-order phase transitions via gravitational waves and curvature perturbations.

Ensembles of neural network weight matrices are studied through the training process for the MNIST classification problem, testing the efficacy of matrix models for representing their distributions, under assumptions of Gaussianity and permutation-symmetry. The general 13-parameter permutation invariant Gaussian matrix models are found to be effective models for the correlated Gaussianity in the weight matrices, beyond the range of applicability of the simple Gaussian with independent identically distributed matrix variables, and notably well beyond the initialisation step. The representation theoretic model parameters, and the graph-theoretic characterisation of the permutation invariant matrix observables give an interpretable framework for the best-fit model and for small departures from Gaussianity. Additionally, the Wasserstein distance is calculated for this class of models and used to quantify the movement of the distributions over training. Throughout the work, the effects of varied initialisation regimes, regularisation, layer depth, and layer width are tested for this formalism, identifying limits where particular departures from Gaussianity are enhanced and how more general, yet still highly-interpretable, models can be developed.

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.

We construct high-accuracy semi-analytic mode functions for scalar cosmological perturbations in mLQC-I within the hybrid approach to study ultraviolet regularity and gravitational particle creation. The evolution comprises an asymptotic pre-de Sitter branch, a pre-inflationary region containing the quantum bounce, and inflation. In the intermediate region, we construct the complete third-order uniform asymptotic solution and introduce adaptive defect correction. The third-order approximation achieves sub-percent complex-mode accuracy for representative higher-wavenumber modes; defect-corrected solutions agree with numerical evolution at the 0.00001% level over the tested low-wavenumber range. Retaining amplitudes and phases provides a controlled basis for future precision calculations of primordial power spectra and non-Gaussian correlations. We compare the de Sitter vacuum selected in the remote contracting branch with a fourth-order adiabatic state imposed at the bounce. Finite-wavenumber matching and the strict ultraviolet limit require different asymptotic treatments: extrapolating the leading connection to infinite wavenumber yields a spurious constant negative-frequency coefficient and an apparent ultraviolet divergence. Instead, the large-wavenumber de Sitter mode agrees with the fourth-order adiabatic expansion through the order required for energy-momentum tensor renormalization, and smooth exact evolution preserves this ultraviolet structure. Finite and intermediate modes can nevertheless undergo nonadiabatic Bogoliubov mixing and particle creation. Finite-mode particle production thus coexists with ultraviolet regularity. The ultraviolet argument also extends to the dressed-metric approach in its corresponding large-wavenumber regime, while quantitative mode functions must be recalculated using its effective mass.

We provide a concise framework for generalized ensemble theory through a matrix-based approach. By introducing an observation matrix, any discrete probability distribution, including those for non-equilibrium steady states, can be expressed as a generalized Boltzmann distribution, with observables and conjugate variables as the basis and coordinates in a linear space. In this framework, we identify the minimal sufficient statistics required for inferring the Boltzmann distribution. Furthermore, we show that the Hadamard and Vandermonde matrices are suitable observation matrices for spin systems and random walks. In master equation systems, the probability flux observation matrix facilitates the identification of detailed balance violations. Our findings provide a new approach to developing generalized ensemble theory for non-equilibrium steady-state systems.

The Sachdev-Ye-Kitaev (SYK) model, known for its strong quantum correlations and chaotic behavior, serves as a key platform for quantum gravity studies. However, variationally preparing thermal states on near-term quantum processors for large systems (N>12, where N is the number of Majorana fermions) presents a significant challenge due to the rapid growth in the complexity of parameterized quantum circuits. This paper addresses this challenge by integrating reinforcement learning (RL) with convolutional neural networks, employing an iterative approach to optimize the quantum circuit and its parameters. The refinement process is guided by a composite reward signal derived from entropy and the expectation values of the SYK Hamiltonian. This approach reduces the number of CNOT gates by two orders of magnitude for systems Ngeq12 compared to traditional methods like first-order Trotterization. We demonstrate the effectiveness of the RL framework in both noiseless and noisy quantum hardware environments, maintaining high accuracy in thermal state preparation. This work advances a scalable, RL-based framework with applications for quantum gravity studies and out-of-time-ordered thermal correlators computation in quantum many-body systems on near-term quantum hardware. The code is available at https://github.com/Aqasch/solving_SYK_model_with_RL.

A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging due to the noisy and sparse nature of single-cell measurements, as well as the fact that perturbations often induce population-level shifts rather than changes in individual cells. Existing deep learning methods typically assume cell-level correspondences, limiting their ability to capture such global effects. We present scDFM, a generative framework based on conditional flow matching that models the full distribution of perturbed cells conditioned on control states. By incorporating a maximum mean discrepancy (MMD) objective, our method aligns perturbed and control populations beyond cell-level correspondences. To further improve robustness to sparsity and noise, we introduce the Perturbation-Aware Differential Transformer (PAD-Transformer), a backbone architecture that leverages gene interaction graphs and differential attention to capture context-specific expression changes. Across multiple genetic and drug perturbation benchmarks, scDFM consistently outperforms prior methods, demonstrating strong generalization in both unseen and combinatorial settings. In the combinatorial setting, it reduces mean squared error by 19.6% relative to the strongest baseline. These results highlight the importance of distribution-level generative modeling for robust in silico perturbation prediction. The code is available at https://github.com/AI4Science-WestlakeU/scDFM

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised manner from limited amounts of data slowly generated by the same solver they intend to accelerate. We propose an open-source framework that enables the online training of these models from a large ensemble run of simulations. It leverages multiple levels of parallelism to generate rich datasets. The framework avoids I/O bottlenecks and storage issues by directly streaming the generated data. A training reservoir mitigates the inherent bias of streaming while maximizing GPU throughput. Experiment on training a fully connected network as a surrogate for the heat equation shows the proposed approach enables training on 8TB of data in 2 hours with an accuracy improved by 47% and a batch throughput multiplied by 13 compared to a traditional offline procedure.

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.

To account for the soft transverse dynamics overlooked by the k_T factorization formalism of exclusive QCD processes, we propose introducing the intrinsic transversal momentum distribution functions (iTMDs), in conjunction with the light-cone distribution amplitudes (LCDAs), to define the probability amplitude for finding a hadron state where partons move fast along the longitudinal axis while undergoing gentle oscillations in the transverse plane. We implement this framework in the calculation of the electromagnetic form factors of the pion and the proton. Our iTMDs-improved perturbative QCD predictions show good agreement with available experimental data and lattice QCD results. More importantly, we find that higher-twist, especially subleading-twist contributions, are indispensable for explaining the scaling behavior of both pion and proton form factors at intermediate momentum transfers. Furthermore, the inclusion of iTMD effects significantly improves the perturbative QCD predictions for the pion form factor in the few GeV^2.

We provide a geometric description of Lee-Yang tensors, building upon several recent results of Bravyi, Gosset, Liu, and Wong. By applying tools from complex Perron-Frobenius theory, we generalize one of their key lemmas to bound the spectral ratio of non-normal operators with Lee-Yang radius greater than one. As a direct consequence, we provide a local-to-global principle for bounding spectral gaps of Suzuki-Fisher Hamiltonians, a family of 2-local Hamiltonians, using only the Lee-Yang radius of each local operator to bound the gap from below. On the other hand, we develop a simple perturbative technique to show that the Gibbs states of k-local Hamiltonians, k geq 3, cannot have Lee-Yang radius at least one for all inverse temperatures βgeq 0. We apply this same method to conclude that Suzuki-Fisher Hamiltonians are precisely those Hamiltonians whose Gibbs states are Lee-Yang at all inverse temperatures βgeq 0.

Multireference density functional theory (MR-DFT) provides a pivotal microscopic framework for the description of the ground state properties, low-lying nuclear spectra and transition properties of atomic nuclei. Conventionally, practical implementations of MR-DFT rely on empirically chosen generator coordinates, which may omit relevant collective degrees of freedom and thus fail to capture sufficient collective correlations. Here we introduce the stochastic-basis multireference density functional theory (MR-SDFT). This is an extended scheme that augments the MR-DFT toolkit by (i) generating a diverse ensemble of mean-field reference configurations via a stochastic external field and (ii) selecting a compact subspace with Projection-Selection method. The chosen reference configurations are then linearly superposed within the MR-DFT framework to yield spectroscopic observables. Applying this framework to \nuclide[20]{Ne}, \nuclide[24]{Mg} and \nuclide[28]{Si} with the covariant density functional theory (CDFT), it is demonstrated that the MR-SCDFT leads to lower ground-state energies, smaller point-proton rms radius, and a softer ground-state band compared to the conventional MR-CDFT.

General full-wave electromagnetic solvers, such as those utilizing the finite-difference time-domain (FDTD) method, are computationally demanding for simulating practical GPR problems. We explore the performance of a near-real-time, forward modeling approach for GPR that is based on a machine learning (ML) architecture. To ease the process, we have developed a framework that is capable of generating these ML-based forward solvers automatically. The framework uses an innovative training method that combines a predictive dimensionality reduction technique and a large data set of modeled GPR responses from our FDTD simulation software, gprMax. The forward solver is parameterized for a specific GPR application, but the framework can be extended in a straightforward manner to different electromagnetic problems.

Recent works have suggested that finite Bayesian neural networks may sometimes outperform their infinite cousins because finite networks can flexibly adapt their internal representations. However, our theoretical understanding of how the learned hidden layer representations of finite networks differ from the fixed representations of infinite networks remains incomplete. Perturbative finite-width corrections to the network prior and posterior have been studied, but the asymptotics of learned features have not been fully characterized. Here, we argue that the leading finite-width corrections to the average feature kernels for any Bayesian network with linear readout and Gaussian likelihood have a largely universal form. We illustrate this explicitly for three tractable network architectures: deep linear fully-connected and convolutional networks, and networks with a single nonlinear hidden layer. Our results begin to elucidate how task-relevant learning signals shape the hidden layer representations of wide Bayesian neural networks.

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Starting from the Mellin-Barnes integral representation of a Feynman integral depending on set of kinematic variables z_i, we derive a system of partial differential equations w.r.t.\ new variables x_j, which parameterize the differentiable constraints z_i=y_i(x_j). In our algorithm, the powers of propagators can be considered as arbitrary parameters. Our algorithm can also be used for the reduction of multiple hypergeometric sums to sums of lower dimension, finding special values and reduction equations of hypergeometric functions in a singular locus of continuous variables, or finding systems of partial differential equations for master integrals with arbitrary powers of propagators. As an illustration, we produce a differential equation of fourth order in one variable for the one-loop two-point Feynman diagram with two different masses and arbitrary propagator powers.

Non-linear interactions during inflation generate non-Gaussianities in the distribution of primordial curvature. In many theories, the physics is scale-invariant, such that the induced three-point function depends solely on a dimensionless shape function S(x,y)sim k^6B_ζ(kx,ky,k). To confront such models with observations, one typically builds specialized estimators for each shape, then applies them to cosmic microwave background datasets at significant computational expense. In this Letter, we take a different approach, directly reconstructing S(x,y) from observations using an efficient logarithmically-binned estimator in primordial-space (motivated by the modal program). Applying this to temperature and polarization maps from Planck, we obtain high-resolution shape measurements across the full (x,y)-plane, including squeezed limits. Our approach is close-to-optimal, highly interpretable, and preserves the information content on (optimally-analyzed) standard templates within approx 10%; moreover, we can use it to assess the scale-dependence of our constraints, finding that Planck is sensitive to approx 6 e-folds of non-Gaussian evolution with a peak sensitivity around 0.1h,Mpc^{-1}. Since we work directly in shape-space, data and theory can be compared in milliseconds. As an example, we perform a search for massive particle exchange using a suite of over 20,000 theoretical templates computed with exact bootstrap methods (for the first time) across a wide range of masses, spins, and sound-speeds; the spin-two analysis yields a maximum significance of 2.6σ. Our approach can be used to probe a wide range of scale-invariant models in orders-of-magnitude less time than with direct estimators, allowing the inflationary paradigm to be explored in new ways.

The fast growing capabilities of large-scale deep learning models, such as Bert, GPT and ViT, are revolutionizing the landscape of NLP, CV and many other domains. Training such models, however, poses an unprecedented demand for computing power, which incurs exponentially increasing energy cost and carbon dioxide emissions. It is thus critical to develop efficient training solutions to reduce the training costs. Motivated by a set of key observations of inter- and intra-layer similarities among feature maps and attentions that can be identified from typical training processes, we propose a multi-level framework for training acceleration. Specifically, the framework is based on three basic operators, Coalescing, De-coalescing and Interpolation, which can be orchestrated to build a multi-level training framework. The framework consists of a V-cycle training process, which progressively down- and up-scales the model size and projects the parameters between adjacent levels of models via coalescing and de-coalescing. The key idea is that a smaller model that can be trained for fast convergence and the trained parameters provides high-qualities intermediate solutions for the next level larger network. The interpolation operator is designed to break the symmetry of neurons incurred by de-coalescing for better convergence performance. Our experiments on transformer-based language models (e.g. Bert, GPT) as well as a vision model (e.g. DeiT) prove that the proposed framework reduces the computational cost by about 20% on training BERT/GPT-Base models and up to 51.6% on training the BERT-Large model while preserving the performance.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Partial Differential Equations are precise in modelling the physical, biological and graphical phenomena. However, the numerical methods suffer from the curse of dimensionality, high computation costs and domain-specific discretization. We aim to explore pros and cons of different PDE solvers, and apply them to specific scientific simulation problems, including forwarding solution, inverse problems and equations discovery. In particular, we extend the recent CNF (NeurIPS 2023) framework solver to multi-dependent-variable and non-linear settings, together with down-stream applications. The outcomes include implementation of selected methods, self-tuning techniques, evaluation on benchmark problems and a comprehensive survey of neural PDE solvers and scientific simulation applications.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development of all-atom foundation models for molecular modeling and generation, existing approaches face challenges in generalization due to the multi-modal nature of atomic data and the lack of comprehensive analysis of training and sampling strategies. To address these limitations, we propose PharMolixFM, a unified framework for constructing all-atom foundation models based on multi-modal generative techniques. Our framework includes three variants using state-of-the-art multi-modal generative models. By formulating molecular tasks as a generalized denoising process with task-specific priors, PharMolixFM achieves robust performance across various structural biology applications. Experimental results demonstrate that PharMolixFM-Diff achieves competitive prediction accuracy in protein-small-molecule docking (83.9% vs. 90.2% RMSD < 2Å, given pocket) with significantly improved inference speed. Moreover, we explore the empirical inference scaling law by introducing more sampling repeats or steps. Our code and model are available at https://github.com/PharMolix/OpenBioMed.

Symmetries play a central role in quantum many-body physics, yet uncovering them systematically remains challenging. We introduce a bootstrap framework designed to reconstruct the representation theory of hidden finite group symmetries of quantum many-body lattice Hamiltonians, using only a known symmetry subgroup N and spectral correlations between its symmetry sectors. We introduce a novel variant of the spectral form factor, the cross spectral form factor (xSFF), which we compute via exact diagonalization to seed the bootstrap algorithm. By applying the constraints derived from these data alongside the algebraic conditions of the fusion rules, our bootstrap procedure sharply restricts the set of candidate groups G. Remarkably, without any prior assumptions regarding the full symmetry group G, our method can systematically recover its representation-theoretic data, including the number and dimensions of the irreducible representations, their branching rules with respect to N, the fusion algebra, and the full character table. This framework applies equally well to chaotic and integrable many-body systems and accommodates both unitary and anti-unitary symmetries. Through various examples, we demonstrate that the underlying group G can be uniquely identified. In particular, our bootstrap independently recovers the Z_4 symmetry at the self-dual point of the three-state quantum torus chain, detects signatures of projective representations in the effective Hamiltonian of the driven Bose-Hubbard model, and rediscovers the η-pairing SO(4) symmetry of the one-dimensional Fermi-Hubbard model. Our framework thus establishes a practical route to identify symmetries directly from dynamical spectral observables.

We investigate the spectral statistics of random perturbations of semiclassical Schrödinger operators on compact manifolds, near energy levels corresponding to chaotic classical dynamics. The prototypical example is that of an operator h^2Δ+V(x) that is perturbed by a smooth potential h^αV_ω with αin (0,1), and V_ω is a random potential that decorrelates on distances h^β, with 0<β<2α. We show that for a generic perturbation, the spectral fluctuations of the smoothed counting function of eigenvalues obey a universal behavior at a certain mesoscopic scale, which is coherent with the predictions of random matrix theory.

Virtual cell models should capture phenotypes induced by specific perturbations. However, image-based models are typically trained and evaluated to match real-image distributions, which alone does not explicitly prioritize perturbation-specific biological responses. Recent approaches add biological signals through reinforcement-learning post-training or inference-time steering, raising a central question: where should biological response information enter the generative pipeline? We introduce PerturbBridge, a stochastic data-to-data bridge model that directly supervises perturbation-specific phenotypes in predicted perturbed images during training. PerturbBridge jointly optimizes bridge regression and differentiable biological response losses, with biological gradients passing through a frozen image encoder. We further introduce perturbation-response evaluations based on downstream classification and retrieval. Across three microscopy benchmarks for perturbation profiling and subcellular imaging, PerturbBridge surpasses CellFlux in biological fidelity, image quality, and sampling efficiency. On BBBC021, mechanism-of-action classification improves by 5.66 and 7.5 percentage points with morphological and learned visual features, respectively. On JUMP and AllenCell, retrieval Hit@10 and Hit@1 improve by 1.77 and 7.15 percentage points, respectively. On BBBC021 and JUMP, PerturbBridge achieves lower FID with 80% fewer model evaluations than CellFlux. Overall, these results show that directly supervising perturbation responses during training improves phenotypic fidelity while enabling efficient cellular image generation. Code is available at https://github.com/yyc1215lll-creator/PerturbBridge.

Predicting cellular responses to perturbations is a central problem in cellular biology, with broad applications in systems biology and drug discovery. This task is challenging because cellular responses can be complex and cell-state dependent, intrinsic cell-to-cell variability can be confounded with perturbation effects, and destructive single-cell RNA sequencing precludes paired measurements of the same cell before and after treatment. Flow matching transports control cells to perturbed states flexibly, but acting on the full cell state can confound perturbation effects with pre-existing cell-to-cell variability. Disentangled approaches separate responsive from invariant components, but model perturbations through prescribed mechanisms, such as latent shifts or graph edits, limiting their flexibility. We address both limitations in a unified framework. A variational encoder disentangles each cell into an invariant block, capturing state unaffected by the perturbation, and a responsive block, capturing state it changes, through conditional priors and an information-theoretic invariance constraint. Conditional flow matching transports only the responsive block, conditioned on the perturbation and invariant state, yielding a flexible, data-driven model of perturbation effects without confounding pre-existing variability. Across several benchmarks, our method outperforms the strongest published method in settings involving combinatorial and unseen perturbation prediction.