New algorithm efficiently trains machine learning models to atomic forces data.
problem Efficiently training machine learning models to large amounts of force data.
method Developed an efficient algorithm for training machine learning models to all available force data.
result Training to all available force data is only a few times more expensive than training to energies alone.
Improved CG force-field learning from all-atom data.
problem Training accurate coarse-grained models from all-atom simulations is challenging.
method Optimized force mapping to improve statistical efficiency of force-field learning.
result Substantially improved CG force-fields can be learned from the same simulation data.
New method uses normalizing flows to improve force fields for coarse-grained molecular dynamics.
problem Lack of reference atomistic forces makes force matching infeasible for MLCG force fields.
method Introduces noise-based kernels adapted to low-data regimes using normalizing flows.
result Flow-based kernels reduce local distortions while preserving global accuracy.
CAMEL embeds data into a manifold using curvature-augmented forces.
problem Data visualization and dimensionality reduction.
method Formulates DR as a physics model with curvature-augmented forces.
result CAMEL outperforms existing methods on benchmark datasets.
Weibull weight-scale parameter λ evolves during AdamW training, with alignment, injection, and decay forces driving its growth and relaxation.
problem Understanding the evolution of the Weibull weight-scale parameter λ during AdamW training. method Deriving a leading-order three-force decomposition of the squared weight norm from AdamW updates.
result The alignment force dominates the rise phase, contributing 88-94% of the absolute force budget across four random seeds.
We provide a benchmark dataset for hand gesture recognition using force myography.
problem Lack of publicly available benchmark data for force myography hand gesture recognition.
method Collected data from 20 persons covering 18 unique gestures using a commercially available sensor setup.
result Improved gesture recognition accuracy through transfer learning.
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 …
GDML learns effective CG models from all-atom data.
problem Learning effective coarse-grained force fields efficiently.
method Ensemble learning with stratified sampling and GDML.
result GDML yields smaller free energy error than neural networks.
The paper integrates dissipative and curl forces using geometric methods.
problem Incorporating dissipative forces into curl forces for non-conservative systems.
method Geometric metriplectic approach, Herglotz principle, generalized Euler-Lagrange equation, Galley's method.
result Natural formulations for Lagrangian and Hamiltonian dynamics of non-conservative systems.
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…
Latent force models are a class of hybrid models for dynamic systems, combining simple mechanistic models with flexible Gaussian process (GP) perturbations. An extension of this framework to include multiplicative interactions between the state and GP terms allows strong a priori control of the model geometry at the ex…
New framework embeds physics in coarse-grained models without big data.
problem Lack of big data and computational demand in data-driven coarse-graining.
method Proposes a novel objective based on reverse Kullback-Leibler divergence that incorporates physics in the form of force fields.
result Generative coarse-grained model predicts atomistic configurations and reveals physicochemical CVs.
Paper introduces a PDE-free method for decomposing forces in any dimension.
problem Analyzing non-conservative forces in arbitrary dimensions.
method Geometric decomposition using homotopy operator and Frobenius theorem.
result Decomposes forces into gradient and antiexact components, characterizing curl forces.
Proposes linking energy and force uncertainty in deep learning potentials.
problem Uncertainty in predicted energies and forces in machine learning models.
method Introduces a spatially correlated noise process to link energy and force uncertainty.
result Demonstrates the approach on molecular datasets, linking energy and force uncertainties.
Labor productivity in developed countries is analyzed and modeled. Modeling is based on our previous finding that the rate of labor force participation is a unique function of GDP per capita. Therefore, labor productivity is fully determined by the rate of economic growth, and thus, is a secondary economic variable. In…
We consider a generalization of the notion of a natural mechanical system to the case of additional forces of gyroscopic type. Such forces appear, for example, as a result of global reduction of a natural system with symmetry. We study symmetries in the systems with gyroscopic forces to find out when these systems admi…
The paper analyzes errors in mechanical systems with external forces.
problem Error analysis of mechanical systems with external forces.
method Analysis of variational integrators with contact order r for discrete mechanical systems. result The contact order of the integrator is the same as the contact order of the original systems.
The evolution of the rate of price inflation and unemployment in Japan has been modeled within the Phillips curve framework. As an extension to the Phillips curve, we represent both variables as linear functions of the change rate of labor force. All models were first estimated in 2005 for the period between 1980 and 2…
Study curve flows with global forcing terms using a distance comparison principle.
problem Analyse the behavior of curves under curve flows with global forcing terms.
method Prove a distance comparison principle for curve shortening flow with arbitrary global forcing terms.
result Established a distance comparison principle for curve flows with global forcing terms.
Cointegration helps insurers understand long-range mortality patterns.
problem Insurers struggle to detect long-range dependence in their mortality data.
method Cointegration techniques applied to mixed fractional Brownian motion (mfBm) to capture long-range dependence.
result Cointegration brings long-range dependence information from national mortality data to insurers' models.
Smooth flows for physical systems with smooth energies and forces.
problem Smooth energies for physical simulations and force computation.
method Smooth mixture transformations on compact intervals and hypertori, using root-finding and the inverse function theorem.
result Smooth flows allow training by force matching and use as molecular dynamics potentials.
In this paper we provide a variational derivation of the Euler-Poincaré equations for systems subjected to external forces using an adaptation of the techniques introduced by Galley and others. Moreover, we study in detail the underlying geometry which is related to the notion of Poisson groupoid. Finally, we apply the…
An important task in structural design is to quantify the structural performance of an object under the external forces it may experience during its use. The problem proves to be computationally very challenging as the external forces' contact locations and magnitudes may exhibit significant variations. We present an e…
Study reveals hidden infections and infection dynamics from early data.
problem Understanding early infection dynamics and hidden infections in COVID-19.
method Data-driven machine learning analysis focusing on infection counts over time.
result Significant asymptomatic infections, 10-day lag, and strong infectious force.
Develops Hamiltonian Score Matching and Generative Flows for machine learning.
problem Estimating score functions and designing generative models.
method Introduces Hamiltonian velocity predictors (HVPs) for score matching and generative flows.
result Hamiltonian Generative Flows (HGFs) rival leading generative modeling techniques.
We show that under suitable non-degeneracy conditions, complete gradient flow lines of the scalar curvature functional of a riemannian manifold perturb into eternal forced mean curvature flows with large forcing term.
The paper finds that circles and logarithmic spirals are the only constant-speed ramps for a specific force field.
problem Determining planar curves for constant-speed motion under specific force conditions.
method Analyzing the motion of a particle under friction and a central force field.
result Every solution to the constant-speed motion problem approaches either a circle or a logarithmic spiral.
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…
Proposes a new model to price options considering market forces beyond Black-Scholes.
problem Tackles the limitations of the Black-Scholes model in capturing unexpected market behaviors.
method Uses the analogy between quantum harmonic oscillator and financial market dynamics to propose a new market force-driven model.
result Shows how various market forces can be incorporated to modify option pricing, providing practical applications.
Proves uniqueness of blowups for forced mean curvature flow.
problem Proving uniqueness of blowups for forced mean curvature flow.
method Adapting methods from Euclidean space mean curvature flow to handle forcing term and blow-up limits.
result Uniqueness of tangent cones for forced mean curvature flow at self-shrinkers and cylindrical self-shrinkers.
The paper simplifies complex mechanical systems with external forces.
problem Analyzing symmetric discrete mechanical systems with external forces.
method Lagrangian reduction and reconstruction for principal bundles.
result Evolution of momentum maps and Poisson structures under different conditions.
Neural network models colloidal particle dynamics in non-equilibrium systems.
problem Analyzing non-equilibrium dynamics of many-body colloidal systems.
method Combining power functional theory and machine learning, training a neural network to predict internal force fields.
result The neural network accurately predicts dynamics in non-equilibrium systems, in good agreement with simulations.
New insights into Hessian structure of neural networks reveal two forces.
problem Understanding the Hessian structure of neural networks.
method Analyzing the static and dynamic forces, comparing limit distributions using random matrix theory.
result The Hessian structure arises from a combination of static and dynamic forces, with C being a primary driver. 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…
This work tackles force control for contact-rich manipulation tasks with rigid robots using RL.
problem Challenges in working with real robotic hardware, especially position-controlled robots.
method Combines RL with traditional force control techniques, implementing parallel position/force control and admittance control.
result Validated methods on both simulation and real robot (UR3 e-series) for force control.
In this paper, we consider the mean curvature flow of convex hypersurfaces in Euclidean spaces with a general forcing term. We show that the flow may shrink to a point in finite time if the forcing term is small, or exist for all times and expand to infinity if the forcing term is large enough. The flow can also conver…
Deep learning predicts adhesive forces in soft viscoelastic contacts quickly and accurately.
problem Predicting the full time-resolved force trajectory of adhesive soft viscoelastic contacts is computationally expensive and impractical.
method Trained a deep learning model to predict the full force evolution from a prescribed displacement history, using FMS representation and various architectures.
result Best-performing model predicts complete force trajectory with low error metrics and fast inference time.
The problem of combined state and input estimation of linear structural systems based on measured responses and a priori knowledge of structural model is considered. A novel methodology using Gaussian process latent force models is proposed to tackle the problem in a stochastic setting. Gaussian process latent force mo…
Study compares employers with and without anticipating strategic labor force responses.
problem Understanding and optimizing strategic interactions in labor markets.
method Formulation of causal strategic classification, theory, and experiments.
result Performatively optimal hiring policies improve employer and labor outcomes, but can also harm labor force utility.
We are able to derive the equations of motion for forced mechanical systems in a purely variational setting, both in the context of Lagrangian or Hamiltonian mechanics, by duplicating the variables of the system as introduced by Galley [2013], Galley, Tsang, and Stein [2014]. We show that this construction is useful to…
The paper explains emergent phenomena in deep learning using entropic forces.
problem Understanding the cause of emergent phenomena in deep learning and large language models.
method Proposes a rigorous entropic-force theory for neural networks trained with SGD and variants.
result Shows that representation learning is governed by emergent entropic forces that break continuous symmetries and preserve discrete ones.
Feature normalization prevents collapse in non-contrastive learning dynamics.
problem Non-contrastive learning can collapse into a single point due to lack of repulsive force.
method Extended previous theory based on L2 loss to cosine loss, considering feature normalization.
result Cosine loss induces stable equilibrium, preventing collapse even with insufficient repulsive force.
In this paper we study the blow up sequence of mean curvature flow of surfaces in R3 with additional forces. We prove that the blow up limit of a mean curvature flow of smoothly embedded surfaces with additional forces with finite entropy is a smoothly embedded self-shrinker.
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 …
Bayesian filtering approach identifies nonlinear restoring forces in dynamic systems.
problem Identification of nonlinear dynamic systems in engineering.
method Modeling the nonlinear restoring force as a Gaussian process, converting it to a state-space model, and inferring internal states and the nonlinear restoring force through filtering and smoothing.
result The approach effectively identifies nonlinear restoring forces in both simulated and experimental datasets.
We develop SHOPPER, a sequential probabilistic model of shopping data. SHOPPER uses interpretable components to model the forces that drive how a customer chooses products; in particular, we designed SHOPPER to capture how items interact with other items. We develop an efficient posterior inference algorithm to estimat…
The forcing relation of braids has been introduced for a 2-dimensional analogue of the Sharkovskii order on periods for maps of the interval. In this paper, by making use of the Nielsen fixed point theory and a representation of braid groups, we deduce a trace formula for the computation of the forcing order.
MACE architecture outperforms alternatives in various molecular and materials science tasks.
problem Improving machine learning force fields for diverse molecular and materials science applications.
method Evaluation of MACE architecture on various datasets and tasks, demonstrating data efficiency and excellent performance.
result MACE architecture generally outperforms alternatives across a wide range of systems, including amorphous carbon, universal materials modelling, and organic chemistry.