Improved KLMC for sampling under various conditions.
problem Stable simulation of kinetic Langevin dynamics under different parameters.
method Revisited synchronous Wasserstein coupling analysis with stochastic exponential Euler discretization.
result Exponential integrator can simulate kinetic Langevin dynamics in the overdamped regime with proper time acceleration.
New algorithms improve sampling from complex distributions.
problem Sampling from complex probability distributions efficiently.
method Regime-switching Langevin dynamics and Monte Carlo algorithms.
result Convergence guarantees and iteration complexities provided.
Paper proposes new Langevin samplers for sampling from log-concave distributions with superlinear gradient growth.
problem Sampling from log-concave distributions with superlinear gradient growth.
method Proposes two novel discretizations of kinetic Langevin SDEs, showing contractivity and log-Sobolev inequality.
result Establishes non-asymptotic bounds in 2-Wasserstein distance between sampled distributions and target measures.
Study on kinetic Langevin diffusions and their couplings, showing subtle TV bounds and new non-Markovian couplings.
problem Understanding and quantifying the TV distance between solutions of kinetic Langevin diffusions with different initial values.
method Established new non-Markovian couplings for kinetic Langevin diffusions, derived from optimal coalescence trajectories, and analyzed their TV bounds.
result No Markovian coupling can capture the asymptotic decay rate of the TV distance between solutions of kinetic Langevin diffusions with different initial values.
Proposes a new method for constrained generative modeling using Langevin dynamics.
problem Challenges in satisfying underlying constraints with score-based generative models.
method Uses kinetic Langevin dynamics with specular reflection to model constraints.
result Demonstrates efficient numerical samplers with optimal convergence rates.
New sampling method on Lie groups converges quickly.
problem Sampling on non-Euclidean Lie groups.
method Kinetic Langevin dynamics with noise added.
result Exponential convergence rate proved under W2 distance. New algorithms improve sampling from constrained distributions.
problem Generating samples from distributions under constraints.
method Kinetic Langevin dynamics and splitting schemes.
result Improved complexity bounds over existing methods.
New methods improve efficiency of sampling algorithms for complex systems.
problem Efficiently sampling from complex, high-dimensional probability distributions.
method Randomized Runge-Kutta-Nyström methods tailored for Hamiltonian flows.
result Quantitative 5/2-order L2-accuracy in approximating Hamiltonian flows. Linear stochastic models and discretized kinetic theory are two complementary analytical techniques used for the investigation of complex systems of economic interactions. The former employ Langevin equations, with an emphasis on stock trade; the latter is based on systems of ordinary differential equations and is bett…
The paper develops methods for sampling from log-concave distributions with constraints.
problem Sampling from log-concave distributions with constraints.
method Randomized midpoint discretization of Langevin diffusions with various projections.
result New convergence guarantees for constrained Langevin algorithms.
Unbiased method for Bayesian posterior means using kinetic Langevin dynamics.
problem Estimating Bayesian posterior means efficiently and accurately.
method Combines advanced splitting methods with enhanced gradient approximations in a multilevel Monte Carlo approach.
result The method achieves unbiased estimates with finite variance and central limit theorem properties.
KIPLMC methods improve statistical inference in latent variable models.
problem Statistical inference in latent variable models.
method Joint diffusion process in parameter and latent variable spaces, with two explicit discretizations.
result KIPLMC methods achieve accelerated convergence rates in Wasserstein-2 distance.
Physics analogies explain machine learning overfitting control.
problem Understanding and controlling overfitting in machine learning.
method Analogies from physics and biology applied to algorithmic stability and GAN models.
result Physics formulas provide insights into reducing overfitting in machine learning.
Recent technological development has enabled researchers to study social phenomena scientifically in detail and financial markets has particularly attracted physicists since the Brownian motion has played the key role as in physics. In our previous report (arXiv:1703.06739; to appear in Phys. Rev. Lett.), we have prese…
Accelerates sampling from Gibbs distributions using ARWP method.
problem Sampling from Gibbs distributions efficiently.
method ARWP method, combining Nesterov acceleration and regularized Wasserstein proximal.
result ARWP exhibits higher contraction rate and faster tail exploration.
New algorithm samples Bayesian neural networks for improved calibration.
problem Improving calibration of Bayesian neural networks.
method Symmetric Minibatch Splitting-UBU (SMS-UBU) algorithm.
result SMS-UBU provides better calibration performance than standard methods.
A microscopic model is established for financial Brownian motion from the direct observation of the dynamics of high-frequency traders (HFTs) in a foreign exchange market. Furthermore, a theoretical framework parallel to molecular kinetic theory is developed for the systematic description of the financial market from m…
New algorithms sample from log concave distributions without gradient Lipschitz continuity.
problem Sampling from log concave distributions without gradient Lipschitz continuity.
method Two algorithms based on monotone polygonal (tamed) Euler schemes.
result Non-asymptotic 2-Wasserstein distance bounds between the process and target measure.
This research accelerates sampling methods using Nesterov's Acceleration.
problem Improving sampling efficiency in MCMC methods.
method Developed a Hessian-Free High-Resolution ODE reformulation of NAG-SC, injected noise, and discretized the diffusion process.
result Quantified acceleration beyond underdamped Langevin in W2 distance for log-strongly-concave targets. New method improves sampling efficiency in complex stochastic systems.
problem Sampling efficiency in nonconvex stochastic gradient cases.
method Reflection coupling for unadjusted generalized Hamiltonian Monte Carlo.
result Quantitative Gaussian concentration bounds and convergence rates established.
Paper develops a framework to discover bioprocessing regulatory mechanisms using symbolic and statistical learning.
problem Challenges in modeling complex intracellular regulation, stochastic system behavior, and limited experimental data.
method Symbolic and statistical learning framework based on stochastic differential equations and Bayesian learning.
result Improved sample efficiency and robust model selection compared to state-of-the-art approaches.
New method tunes SMC samplers efficiently without high costs.
problem Tuning SMC samplers with unadjusted kernels is challenging.
method Greedy Incremental Divergence Minimization (GIDM) for step size tuning.
result GIDM reduces KL divergence and tunes SMC samplers efficiently.
RC flow learns molecular kinetics in low dimensions.
problem Discovering interpretable low-dimensional models of molecular kinetics.
method Normalizing flow for coordinate transformation and Brownian dynamics for kinetics approximation.
result Tractable and trainable model of reduced kinetics in continuous time and space.
The paper extends Vlasov kinetic theory to time-dependent dynamics using cosymplectic and cocontact manifolds.
problem Extending Vlasov kinetic theory to time-dependent dynamics.
method Introducing geometric kinetic theories within cosymplectic and cocontact manifolds.
result Alternative realizations of cosymplectic and cocontact kinetic theories linked via Poisson/momentum maps.
Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose dynamics are governed by the Chemical Master Equation. Despite its simple structur…
This research proposes the econophysics kinetic market model as an evolutionary algorithm's instance. The immediate results from this proposal is a new replacement rule for family competition genetic algorithms. It also represents a starting point to adding evolvable entities to kinetic market models.
In this article, we briefly review the different aspects and applications of kinetic exchange models in economics and sociology. Our main aim is to show in what manner the kinetic exchange models for closed economic systems were inspired by the kinetic theory of gas molecules. The simple yet powerful framework of kinet…
New method trains deep neural networks for non-interacting kinetic-energy functionals in DFT.
problem Lack of exact relationship between electron density and non-interacting kinetic energy.
method Variational principle to regularize machine-learned density functionals.
result Excellent results on kinetic-energy functionals for various systems.
Paper proposes a smart neck-band for detecting neck postures using integrated kinematic and kinetic data.
problem Improper neck postures lead to musculoskeletal disorders requiring therapy and rehabilitation.
method Integrated use of kinematic and kinetic data with machine learning algorithms.
result 100% accuracy in predicting neck postures using the proposed platform.
New method uses machine learning to analyze catalyst reactions.
problem Understanding complex reaction mechanisms in catalytic materials.
method Combining transient kinetics and machine learning.
result Correct estimates of micro-kinetic coefficients and mechanism.
We briefly review results on nonlinear kinetic equation of Boltzmann type which describe the evolution of wealth in a simple agents market. The mathematical structure of the underlying kinetic equations allows to use well-known techniques of wide use in kinetic theory of rarefied gases to obtain information on the proc…
Study explores how wealth dynamics change with preferential interactions in kinetic exchange models.
problem Investigate how preferential interactions affect wealth dynamics and distributions in kinetic exchange models.
method Conducted Monte Carlo simulations to explore two types of preferential interactions: one with random selection and another with wealth difference constraint.
result Emergence of quasi-oligarchic societies and segregation into economic classes observed in preferential interactions.
LSS learns molecular trajectories from MD data.
problem Limited integration time steps in MD simulations.
method Three deep learning networks for slow collective variables, dynamics, and configuration reconstruction.
result Generates ultra-long synthetic folding trajectories.
Automated method creates compact chemical models from detailed ones, reducing complexity and improving accuracy.
problem Creating accurate low-dimensional chemical kinetic models from detailed ones is time-consuming and requires expert knowledge.
method Machine Learned Optimisation of Chemical Kinetics (MLOCK) algorithm systematically perturbs sub-models to find optimal compact models.
result Compact models (15 species) retain ~87% fidelity to detailed models, outperforming previous methods.
Exact solution found for two-body financial dealer model using kinetic theory.
problem Finding an exact solution for the two-body financial dealer model.
method Exact master-Liouville equations derived using kinetic theory and probability currents.
result Exact order-book profile and average transaction interval derived.
We study a minimalist kinetic model for economies. A system of agents with local trading rules display emergent demand behaviour. We examine the resulting wealth distribution to look for non-thermal behaviour. We compare and contrast this model with other similar models.
Learning kinetic systems from data is one of the core challenges in many fields. Identifying stable models is essential for the generalization capabilities of data-driven inference. We introduce a computationally efficient framework, called CausalKinetiX, that identifies structure from discrete time, noisy observations…
Bayesian inference over admissible histories leads to irreversible kinetics.
problem Modeling irreversible processes in systems with uncertain histories.
method A Gibbs-type measure weighted by energy-dissipation action and observation constraints, interpreted as a Bayesian posterior.
result The measure concentrates on maximum-a-posteriori (MAP) histories, recovering classical deterministic evolution.
In this paper, we consider a simple kinetic model of economy involving both exchanges between agents and speculative trading. We show that the kinetic model admits non trivial quasi-stationary states with power law tails of Pareto type. In order to do this we consider a suitable asymptotic limit of the model yielding a…
Langevin algorithms improve training of very deep neural networks, especially for image classification.
problem Training very deep neural networks is challenging due to increased non-linearity and the risk of getting stuck in local minima.
method Comparison of Langevin and non-Langevin algorithms for training deep neural networks, introduction of Layer Langevin algorithm.
result Langevin algorithms, especially Layer Langevin, lead to significant improvements in training deep neural networks, particularly for image classification tasks.
This paper optimizes paths for generative models using kinetic energy.
problem Improving generative model performance and sample quality.
method Investigating and optimizing Gaussian probability paths with kinetic energy.
result Kinetic optimal Gaussian paths simplify particle trajectories and improve model performance.
We derive a diffusion approximation for the kinetic Vlasov-Fokker-Planck equation in bounded spatial domains with specular reflection type boundary conditions. The method of proof involves the construction of a particular class of test functions to be chosen in the weak formulation of the kinetic model. This involves t…
Kinetic exchange models have been successful in explaining the shape of the income/wealth distribution in the economies. However, such models usually make some ad-hoc assumptions when it comes to determining the savings factor. Here, we examine a few models in and out of the domain of standard neo-classical economics t…
Stochastic approach improves neural network training for kinetic simulations.
problem Training neural networks under physical constraints in kinetic fusion simulations.
method Stochastic augmented Lagrangian approach using pyTorch.
result Higher model prediction accuracy achieved compared to fixed penalty method.
There is an increasing demand for computing the relevant structures, equilibria and long-timescale kinetics of biomolecular processes, such as protein-drug binding, from high-throughput molecular dynamics simulations. Current methods employ transformation of simulated coordinates into structural features, dimension red…
Compact models for methane/air combustion reduce complexity without sacrificing accuracy.
problem Creating accurate, computationally efficient models for methane combustion.
method Data-oriented three-step methodology: 1) Remove non-essential species, 2) Numerically optimize to key species profiles, 3) Machine learning to refine parameters.
result Produced 19 and 15 species compact models that outperform current state-of-the-art models in accuracy and range of conditions.
SLMC improves sampling efficiency for high-dimensional distributions.
problem Sampling from high-dimensional distributions is computationally challenging.
method SLMC projects Langevin updates onto subsampled eigenblocks of a time-varying preconditioner.
result SLMC offers superior adaptability and computational efficiency compared to traditional methods.
Paper analyzes and accelerates Langevin Monte Carlo methods using large deviations theory.
problem High-dimensional sampling problems in machine learning.
method Unified approach using large deviations theory to study and accelerate Langevin dynamics variants.
result Efficiency of Langevin dynamics variants demonstrated through numerical experiments.