arXiv research

Improved CG force-field learning from all-atom data.

New method uses normalizing flows to improve force fields for coarse-grained molecular dynamics.

Curve shortening flow shrinks curves to points under certain conditions.

The paper finds that circles and logarithmic spirals are the only constant-speed ramps for a specific force field.

In this paper, we study the evolution of submannifold moving by mean curvature minus a external force field. We prove that the flow has a long-time smooth solution for all time under almost optimal conditions. Those conditions are that the second fundamental form on the initial submanifolds is not too large, the extern…

The paper establishes a connection between force-free fields and conformally geodesic fields.

Machine learning generates coarse-grained force fields for molecular dynamics.

Neural network models colloidal particle dynamics in non-equilibrium systems.

The Giroux correspondence and the notion of a near force-free magnetic field are used to topologically characterize near force-free magnetic fields which describe a variety of physical processes, including plasma equilibrium. As a byproduct, the topological characterization of force-free magnetic fields associated with…

Proposes linking energy and force uncertainty in deep learning potentials.

Develops Hamiltonian Score Matching and Generative Flows for machine learning.

BoostMD accelerates molecular dynamics simulations by 8x with ML force fields.

Study active nematic forces on curved surfaces, revealing new coupling mechanisms.

Study physical work done by isotropic vector forces along isotropic curves.

New method speeds up kernel-based machine learning for force field reconstruction.

AniDS improves molecular force field modeling by learning anisotropic noise.

MACE uses higher-order messages to create fast, accurate force fields.

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 …

Flow of curves with curvature and forcing vector field exists.

Nearly all field theories suffer from singularities when particles are introduced. This is true in both classical and quantum physics. Classical field singularities result in the notorious self-force problem, where it is unknown how the dynamics of a particle change when the particle interacts with its own (self) field…

New framework embeds physics in coarse-grained models without big data.

CAMEL embeds data into a manifold using curvature-augmented forces.

Paper introduces a PDE-free method for decomposing forces in any dimension.

In this article we present a natural generalization of Newton's Second Law valid in field theory, i.e., when the parameterized curves are replaced by parameterized submanifolds of higher dimension. For it we introduce what we have called the geodesic $k$-vector field, analogous to the ordinary geodesic field and which …

We consider the dynamics of vector fields on three-manifolds which are constrained to lie within a plane field, such as occurs in nonholonomic dynamics. On compact manifolds, such vector fields force dynamics beyond that of a gradient flow, except in cases where the underlying manifold is topologically simple. Furtherm…

GDML learns effective CG models from all-atom data.

The Lorentz force equations provide a partial description of the geodesic motion of a charged particle on a four-manifold. Under the hypothesis that Maxwell's equations express symmetry properties of the Ricci tensor, the full electromagnetic connection is determined. From this connection, the fourth equation of the ge…

MACE architecture outperforms alternatives in various molecular and materials science tasks.

The dynamics defined by a force field which is positively homogeneous of degree $-3$ 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 $-3$. This remark is an elega…

In the paper, some concepts of modern differential geometry are used as a basis to develop an invariant theory of mechanical systems, including systems with gyroscopic forces. An interpretation of systems with gyroscopic forces in the form of flows of a given geodesic curvature is proposed. For illustration, the proble…

We provide a benchmark dataset for hand gesture recognition using force myography.

This work discovers latent field effects governing interacting dynamical systems.

We study the motion of a particle in the hyperbolic plane (embedded in Minkowski space), under the action of a potential that depends only on one variable. This problem is the analogous to the spherical pendulum in a unidirectional force field. However, for the discussion of the hyperbolic plane one has to distinguish …

New gauge fields modify Fokker-Planck dynamics without changing the stationary state.

ML-FFs use ML to bridge chem. accuracy and efficiency.

A first-order formulation of gravity is developed in which the fundamental fields consist of an SL(2,C) connection and two spinor-valued 1-forms. It is shown that the first term of an expansion of the Einstein-Hilbert action leads to an action for these fields which consists of dynamic L2 inner products of their covari…

We study non-conservative like SODEs admitting explicit Lagrangian descriptions. Such systems are equivalent to the system of Lagrange equations of some Lagrangian $L$, including a covariant force field which represents non-conservative forces. We find necessary and sufficient conditions for the existence of a differen…

The Standard Model of elementary particles is a theory unifying three of the four basic forces of the Nature: electromagnetic, weak, and strong interactions. In this paper we consider the Standard Model in the presence of a classical (non-quantized) gravitation field and apply a bundle approach for describing it.

Unified field theory from higher-order Riemannian geometry.

We relate Gaussian curvature to the gyroscopic force, thus giving a mechanical interpretation of the former and a geometrical interpretation of the latter. We do so by considering the motion of a spinning disk constrained to be tangent to a curved surface. It is shown that the spin gives rise to a force on the disk whi…

This work proposes a novel method for estimating the influence that unknown static objects might have over mobile agents. Since the motion of agents can be affected by the presence of fixed objects, it is possible use the information about trajectories deviations to infer the presence of obstacles and estimate the forc…

Identifies conjugate points in spherical harmonics solutions of quasi-geostrophic equations.

The second order differential equation $\frac{D\dotγ}{dt}(t) = F_{γ(t)}(\dotγ(t)) - \nabla V(γ(t))$ on a Lorentzian manifold describes, in particular, the dynamics of particles under the action of a electromagnetic field $F$ and a conservative force $-\nabla V$. We provide a first study on the extendability of its solu…

This paper presents a methodology that aims at the incremental representation of areas inside environments in terms of attractive forces. It is proposed a parametric representation of velocity fields ruling the dynamics of moving agents. It is assumed that attractive spots in the environment are responsible for modifyi…

New geometric framework for non-conservative field theories with time-dependent terms.

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.

Magnetic manifold HMC improves sampling on constrained manifolds.

A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the interactions it has with other molecules. Conventional conformation generation methods minimize hand-designed molecular force field energy functi…