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.
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.
Partial soft-matching distance improves neural representation comparison by allowing some neurons to remain unmatched.
problem Neural representations are noisy and contain outliers, making traditional matching methods unreliable.
method Extends soft-matching distance to a partial optimal transport setting, allowing some neurons to remain unmatched.
result Partial soft-matching provides robust correspondences that are more reliable under noise and outliers.
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.
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.
Paper introduces Decentralized Non-stationary Competing Bandits ( exttt{DNCB}) for dynamic matching markets.
problem Understanding dynamic two-sided matching markets with competing agents.
method Proposes a decentralized asynchronous learning algorithm ( exttt{DNCB}) for non-stationary environments.
result Obtains sub-linear (logarithmic) regret of exttt{DNCB} in dynamic settings.
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…
Paper introduces infinite-dimensional generative models using Doob's h-transform.
problem Defining generative models in infinite dimensions.
method Using Doob's h-transform to force a reference diffusion towards a target distribution.
result The forced process can be approximated by minimising a score-matching objective.
ITF improves DSR but inflates curvature, while marginal likelihood reduces it, affecting QoIs.
problem Curvature mismatch between teacher forcing and marginal likelihood in chaotic dynamical systems.
method Comparing objective-induced curvatures of ITF and marginal likelihood in a probabilistic switching augmentation of AL-RNNs.
result Curvature inflation by ITF and reduction by marginal likelihood affect dynamical quantities of interest.
Machine learning generates coarse-grained force fields for molecular dynamics.
problem Creating thermodynamically consistent coarse-grained models for larger systems.
method Hybrid architecture using graph neural networks to learn molecular features.
result Framework reproduces thermodynamics for small biomolecular systems.
Consider two networks on overlapping, non-identical vertex sets. Given vertices of interest in the first network, we seek to identify the corresponding vertices, if any exist, in the second network. While in moderately sized networks graph matching methods can be applied directly to recover the missing correspondences,…
Paper bridges matching rules and height functions in aperiodic tilings.
problem Relationship between matching rules and height functions in aperiodic tilings.
method Cochain-first framework to establish equivalence between matching rules, Ammann bar continuity, cycle closure of 1-cochains, and height-function existence.
result Unified framework for aperiodic tilings including Penrose and canonical projection tilings.
Paper improves molecular property prediction using denoising autoencoders.
problem Limited data for molecular property prediction from 3D structures.
method Pre-training via denoising for learning molecular force fields.
result Achieves new state-of-the-art performance on QM9 dataset.
SPF uses a hierarchical approach to efficiently emulate climate changes.
problem Slow and unstable climate emulation for long horizons.
method Spatiotemporal Pyramid Flows (SPF) model data hierarchically across spatial and temporal scales.
result SPF outperforms flow matching baselines and pre-trained models on ClimateBench.
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such computationally expensive simulations is the definition of coarse-grained molecular models.…
This paper raises an implicit manifold learning perspective in Generative Adversarial Networks (GANs), by studying how the support of the learned distribution, modelled as a submanifold Mθ, perfectly match with Mr, the support of the real data distribution. We show that optimizing Jensen-Sha…
The disbalance of Supply and Demand is typically considered as the driving force of the markets. However, the measurement or estimation of Supply and Demand at price different from the execution price is not possible even after the transaction. An approach in which Supply and Demand are always matched, but the rate $I=…
The paper examines perimeter minimizing sets in curved spaces and finds conditions for their boundary to match a specific structure.
problem Conditions for perimeter minimizing sets in curved spaces to have a boundary matching a product structure.
method Analyzes Riemannian manifolds with non-negative sectional curvature and quadratic volume growth.
result The boundary of a perimeter minimizing set in such manifolds is identified with a slice in the product structure.
GANs learn distributions by matching low-degree moments.
problem Understanding when GANs learn the target distribution efficiently.
method Theoretical analysis and empirical observation of GAN training process.
result GANs can learn notable distributions by matching polynomially many low-degree moments.
Generative Adversarial Networks (GANs) can achieve state-of-the-art sample quality in generative modelling tasks but suffer from the mode collapse problem. Variational Autoencoders (VAE) on the other hand explicitly maximize a reconstruction-based data log-likelihood forcing it to cover all modes, but suffer from poore…
CG-BGs combine flow-based models with PMFs to sample large systems efficiently.
problem Sampling equilibrium molecular configurations from the Boltzmann distribution is challenging.
method Coarse-grained Boltzmann Generators (CG-BGs) use flow-based models and learned PMFs for efficient sampling.
result CG-BGs provide a practical route for sampling larger molecular systems efficiently.
Flow deforms curves to match an embedded target.
problem Evolve curves to match an embedded target curve.
method Target flow with curve shortening and forcing term.
result Smooth convergence to the target curve.
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.
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.
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.
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.
Generative models emulate climate model outputs for impact assessment.
problem Outdated climate model projections hinder adaptation and mitigation planning.
method Score-based diffusion on a spherical mesh, trained on monthly ESM fields.
result Generative models produce distributions closely matching ESM outputs.
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.
Study explains Zipf's law using geometric mechanisms from a finite alphabet.
problem Explains Zipf's law in language without relying on linguistic elements.
method Uses the Full Combinatorial Word Model (FCWM) to generate geometric distributions of word lengths.
result Supports predictions of power-law rank-frequency curves, matching various languages.
We propose a simple technique for encouraging generative RNNs to plan ahead. We train a "backward" recurrent network to generate a given sequence in reverse order, and we encourage states of the forward model to predict cotemporal states of the backward model. The backward network is used only during training, and play…
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…
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.
After a large "teacher" neural network has been trained on labeled data, the probabilities that the teacher assigns to incorrect classes reveal a lot of information about the way in which the teacher generalizes. By training a small "student" model to match these probabilities, it is possible to transfer most of the ge…
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 Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled performance. However, the reasons for this are unclear, since a very particular alignmen…
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.
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…
A machine learning framework predicts self-induced stochastic resonance in neurons.
problem Predicting coherent oscillations in slow-fast excitable systems driven by noise.
method Physics-informed machine learning with a Noise-Augmented State Predictor architecture and Kramers' escape theory constraints.
result Trained PINN accurately predicts spike-train coherence on noise intensity, excitability, and timescale separation.
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.