New method uses normalizing flows to improve force fields for coarse-grained molecular dynamics.
arXiv research
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Improved CG force-field learning from all-atom data.
Bayesian filtering approach identifies nonlinear restoring forces in dynamic systems.
PenduMAV is a 6-input omnidirectional MAV without internal forces.
ITF improves DSR but inflates curvature, while marginal likelihood reduces it, affecting QoIs.
Neural network models colloidal particle dynamics in non-equilibrium systems.
Latent force models are systems whereby there is a mechanistic model describing the dynamics of the system state, with some unknown forcing term that is approximated with a Gaussian process. If such dynamics are non-linear, it can be difficult to estimate the posterior state and forcing term jointly, particularly when …
The paper integrates dissipative and curl forces using geometric methods.
The Teacher Forcing algorithm trains recurrent networks by supplying observed sequence values as inputs during training and using the network's own one-step-ahead predictions to do multi-step sampling. We introduce the Professor Forcing algorithm, which uses adversarial domain adaptation to encourage the dynamics of th…
BoostMD accelerates molecular dynamics simulations by 8x with ML force fields.
Machine learning generates coarse-grained force fields for molecular dynamics.
New insights into Hessian structure of neural networks reveal two forces.
We present a time-dependent Langevin description of dynamics of stock prices. Based on a simple sliding-window algorithm, the fluctuation of stock prices is discussed in the view of a time-dependent linear restoring force which is the linear approximation of the drift parameter in Langevin equation estimated from the f…
We apply the potential force estimation method to artificial time series of market price produced by a deterministic dealer model. We find that dealers' feedback of linear prediction of market price based on the latest mean price changes plays the central role in the market's potential force. When markets are dominated…
Neural networks' optimization dynamics are confined to a single basin despite connected basins in the loss landscape.
Feature normalization prevents collapse in non-contrastive learning dynamics.
New algorithm efficiently trains machine learning models to atomic forces data.
Given a real vector space V of finite dimension, together with a particular homogeneous field of bivectors that we call a "field of projective forces", we define a law of dynamics such that the position of the particle is a "ray" i.e. a half-line drawn from the origin of V. The impulsion is a bivector whose support is …
Study calculates curvature for fluid dynamics group, proving positivity.
Study reveals hidden infections and infection dynamics from early data.
Paper introduces a PDE-free method for decomposing forces in any dimension.
Latent force models (LFM) are principled approaches to incorporating solutions to differential equations within non-parametric inference methods. Unfortunately, the development and application of LFMs can be inhibited by their computational cost, especially when closed-form solutions for the LFM are unavailable, as is …
Framework predicts responses in misspecified systems using GPLFM and BNNs.
Proposes a new model to price options considering market forces beyond Black-Scholes.
RFC enhances humanoid control to imitate complex human motions.
We propose a new Stein self-repulsive dynamics for obtaining diversified samples from intractable un-normalized distributions. Our idea is to introduce Stein variational gradient as a repulsive force to push the samples of Langevin dynamics away from the past trajectories. This simple idea allows us to significantly de…
Smooth flows for physical systems with smooth energies and forces.
Weibull weight-scale parameter evolves during AdamW training, with alignment, injection, and decay forces driving its growth and relaxation.
Study active nematic forces on curved surfaces, revealing new coupling mechanisms.
Paper models market dynamics using bull and bear forces.
The dynamics defined by a force field which is positively homogeneous of degree can always be reduced, by simply constraining it. The dimension of the phase space is reduced by two dimensions, while it may only be reduced by one dimension if the degree of homogeneity is different from . This remark is an elega…
We develop an efficient sampling method by simulating Langevin dynamics with an artificial force rather than a natural force by using the gradient of the potential energy. The standard technique for sampling following the predetermined distribution such as the Gibbs-Boltzmann one is performed under the detailed balance…
We investigate the large-fluctuation dynamics in financial markets, based on the minute-to-minute and daily data of the Chinese Indices and German DAX. The dynamic relaxation both before and after the large fluctuations is characterized by a power law, and the exponents usually vary with the strength of the lar…
Bayesian modelling of dynamic systems must achieve a compromise between providing a complete mechanistic specification of the process while retaining the flexibility to handle those situations in which data is sparse relative to model complexity, or a full specification is hard to motivate. Latent force models achieve …
Unified framework connects two market-making models, revealing their underlying equivalence.
In this thesis, we consider the suitability of using the charged cold fluid model in the description of ultra-relativistic beams. The method that we have used is the following. Firstly, the necessary notions of kinetic theory and differential geometry of second order differential equations are explained. Then an averag…
AniDS improves molecular force field modeling by learning anisotropic noise.
The paper explains emergent phenomena in deep learning using entropic forces.
For many externally driven complex systems neither the noisy driving force, nor the internal dynamics are a priori known. Here we focus on systems for which the time dependent activity of a large number of components can be monitored, allowing us to separate each signal into a component attributed to the external drivi…
Formula for the force field of Newtonian dynamical systems admitting the normal shift of hypersurfaces in Riemannian manifolds is considered. Problem of globalization for geometric structures associated with this formula is studied.
GDML learns effective CG models from all-atom data.
HCLM framework uses entropy regularization for open learning systems.
Trained recurrent networks are powerful tools for modeling dynamic neural computations. We present a target-based method for modifying the full connectivity matrix of a recurrent network to train it to perform tasks involving temporally complex input/output transformations. The method introduces a second network during…
Model reduction methods aim to describe complex dynamic phenomena using only relevant dynamical variables, decreasing computational cost, and potentially highlighting key dynamical mechanisms. In the absence of special dynamical features such as scale separation or symmetries, the time evolution of these variables typi…
Topological surgery occurs in natural phenomena where two points are selected and attracting or repelling forces are applied. The two points are connected via an invisible `thread'. In order to model topologically such phenomena we introduce dynamics in 1-, 2- and 3-dimensional topological surgery, by means of attracti…
In this paper we contribute a novel algorithm family, which generalizes many unsupervised techniques including unnormalized and energy models, and allows us to infer different statistical modalities (e.g. data likelihood and ratio between densities) from data samples. The proposed unsupervised technique, named Probabil…
Li-York theorem tells us that a period 3 orbit for a continuous map of the interval into itself implies the existence of a periodic orbit of every period. This paper concerns an analogue of the theorem for homeomorphisms of the 2-dimensional disk. In this case a periodic orbit is specified by a braid type and on the se…
New gauge fields modify Fokker-Planck dynamics without changing the stationary state.