New gradient flows for non-negative and probability measures combining optimal transport and interaction forces.
problem Optimizing non-negative and probability measures using interaction forces and optimal transport.
method Interaction-Force Transport (IFT) gradient flows and their spherical variant, developed via infimal convolution of Wasserstein and spherical MMD tensors, with a particle-based optimization algorithm.
result The spherical IFT gradient flow provides global exponential convergence guarantees for both MMD and KL energy.
Randomized feature models learn interaction kernels from agent paths.
problem Learning interaction kernels from noisy agent paths.
method Randomized feature algorithm and sparse regression.
result Pruned features reduce overfitting and lower simulation cost.
AniDS improves molecular force field modeling by learning anisotropic noise.
problem Molecular force field modeling suffers from oversimplified assumptions about atomic motions.
method AniDS introduces anisotropic noise generation for better modeling of directional and structural variability.
result AniDS outperforms existing methods on benchmarks, achieving significant improvements in force prediction accuracy.
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 …
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…
This work discovers latent field effects governing interacting dynamical systems.
problem Discovering field effects governing interacting dynamical systems.
method Proposes neural fields to learn latent force fields from observed dynamics, disentangling local object interactions and global field effects.
result Accurately discovers latent field effects in various dynamical systems.
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…
The abstract explores a new wave equation linking quantum mechanics and complex adaptive systems.
problem Understanding the underlying mechanism of distribution formation in complex quantum entanglement.
method Exploring the logical relationship between Schrödinger's wave equation and Shi's trading volume-price wave equation in finance.
result A non-localized wave equation in quantum mechanics reveals the invariance of interaction as a universal law.
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 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.
ARS visualization improves t-SNE dynamics with tunable attraction and repulsion.
problem Improve data visualization techniques for complex data sets.
method ARS framework based on t-SNE dynamics with normalized interactions and tunable kernels.
result ARS visualization provides better control over cluster tightness and spacing.
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…
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.
A theory of feature geometry using spectral analysis of weight matrices.
problem Current methods decompose neural network activations into sparse linear features, losing geometric structure.
method Develops a theory by analyzing the spectra of weight-derived matrices, introducing the frame operator.
result Features collapse onto single eigenspaces, organizing into tight frames, and admit discrete classification.
The Immersed Boundary (IB) method is a widely-used numerical methodology for the simulation of fluid-structure interaction problems. The IB method utilizes an Eulerian discretization for the fluid equations of motion while maintaining a Lagrangian representation of structural objects. Operators are defined for transmit…
Purely data driven approaches for machine learning present difficulties when data is scarce relative to the complexity of the model or when the model is forced to extrapolate. On the other hand, purely mechanistic approaches need to identify and specify all the interactions in the problem at hand (which may not be feas…
Finding interactions between variables in large and high-dimensional datasets is often a serious computational challenge. Most approaches build up interaction sets incrementally, adding variables in a greedy fashion. The drawback is that potentially informative high-order interactions may be overlooked. Here, we propos…
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.
MFNs parameterize non-local interactions through matrix equivariant functions, improving graph neural network performance.
problem Challenges in modeling non-local interactions in graphs, such as oversmoothing and oversquashing.
method Matrix Function Neural Networks (MFNs) using resolvent expansions for non-local interactions.
result Achieves state-of-the-art performance in graph benchmarks and captures intricate non-local interactions.
We consider a system of diffusion processes that interact through their empirical mean and have a stabilizing force acting on each of them, corresponding to a bistable potential. There are three parameters that characterize the system: the strength of the intrinsic stabilization, the strength of the external random per…
We quantize the interaction of gravity with Yang-Mills and spinor fields, hence offering a quantum theory incorporating all four fundamental forces of nature. Using canonical quantization we obtain solutions of the Wheeler-DeWitt equation in a vector bundle and the method of second quantization leads to a symplectic ve…
Rolling systems limit to billiard models with no-slip collisions.
problem Understanding how rolling systems behave as billiard models with no-slip collisions.
method Showed that no-slip billiards arise as limits of non-holonomic rolling systems.
result Rolling systems limit to billiard models with no-slip collisions.
New solutions found for elliptic systems with mixed couplings.
problem Existence of fully nontrivial solutions to elliptic systems with mixed couplings.
method Study of fully nontrivial solutions to the system with mixed couplings in a bounded or unbounded domain.
result New existence and multiplicity results of fully nontrivial solutions.
DIGIT is a low-cost tactile sensor for in-hand manipulation.
problem Difficulty in sensing contact forces limits robotic manipulation.
method DIGIT miniaturizes and improves a vision-based tactile sensor.
result DIGIT enables better control of interactions with the environment.
ML-FFs use ML to bridge chem. accuracy and efficiency.
problem Narrowing the gap between ab initio and classical FFs.
method Learn potential energy from structure data without fixed bonds.
result ML-FFs can achieve accuracy of ab initio methods with classical efficiency.
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…
Theoretical models of the strong nuclear interaction contain unknown coupling constants (parameters) that must be determined using a pool of calibration data. In cases where the models are complex, leading to time consuming calculations, it is particularly challenging to systematically search the corresponding paramete…
Starting from a relativistic phenomenology of anyons in crystals, we discuss the concept of relativistic interaction and the need to unify electromagnetism and gravitation within the Spencer cohomology of Lie equations. Then, from the sophisticated non-linear Spencer complex of the Poincaré and conformal Lie pseudogrou…
Study optimal portfolio for households with two goals: random and fixed deadlines.
problem Optimal portfolio choice for households managing random and fixed deadlines.
method Maximizes weighted sum of probabilities of funding both goals in a Black-Scholes market.
result Non-monotonic value function due to interaction between goals under forced funding.
Robot-assisted dressing offers an opportunity to benefit the lives of many people with disabilities, such as some older adults. However, robots currently lack common sense about the physical implications of their actions on people. The physical implications of dressing are complicated by non-rigid garments, which can r…
This paper presents a model of capital accumulation for a large number of heterogenous producer-consumers in an exchange space in which interactions depend on agents' positions. Each agent is described by his production, consumption, stock of capital, as well as the position he occupies in this abstract space. Each age…
The excited states of polyatomic systems are rather complex, and often exhibit meta-stable dynamical behaviors. Static analysis of reaction pathway often fails to sufficiently characterize excited state motions due to their highly non-equilibrium nature. Here, we proposed a time series guided clustering algorithm to ge…
Agent-based modeling is a powerful simulation technique to understand the collective behavior and microscopic interaction in complex financial systems. Recently, the concept for determining the key parameters of the agent-based models from empirical data instead of setting them artificially was suggested. We first revi…
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…
Modeling social network activity through user and topic interaction.
problem Understanding complex dynamics of opinion formation in social networks.
method Mixture of Interacting Cascades (MIC) model of marked multidimensional Hawkes processes.
result MIC achieves superior performance in modeling information cascade spread.
While neural networks have acted as a strong unifying force in the design of modern AI systems, the neural network architectures themselves remain highly heterogeneous due to the variety of tasks to be solved. In this chapter, we explore how to adapt the Layer-wise Relevance Propagation (LRP) technique used for explain…
In complex systems, many different parts interact in non-obvious ways. Traditional research focuses on a few or a single aspect of the problem so as to analyze it with the tools available. To get a better insight of phenomena that emerge from complex interactions, we need instruments that can analyze simultaneously com…
Dreamer 4 learns Minecraft tasks from videos alone.
problem Accurately predicting object interactions in complex environments.
method Reinforcement learning inside a fast, accurate world model.
result Dreamer 4 outperforms previous models in Minecraft, learning from only offline data.
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.
Hybrid models combine domain knowledge and data-driven learning for Earth observation.
problem Challenges in modelling Earth observation data with either purely mechanistic or data-driven methods.
method Gaussian process convolution models, specifically latent force models (LFMs), integrating physical knowledge into multioutput GP models.
result Model automatically estimates soil moisture persistence and discovers latent forces related to precipitation.
Compactification of AdS5 allows studying meson behavior in QCD.
problem Understanding meson behavior in Quantum Chromodynamics (QCD).
method Deforming AdS5 metric to model Coulomb interaction between charges.
result Proposed conformal deformation provides a quantum mechanical description of mesons.
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.
In this paper we introduce two models of opinion dynamics in oligopoly markets and apply them to a situation, where a new entrant challenges two incumbents of the same size. The models differ in the way the two forces influencing consumer choice -- (local) social interactions and (global) advertising -- interact. We st…
In this paper, we focus on the stochastic block model (SBM),a probabilistic tool describing interactions between nodes of a network using latent clusters. The SBM assumes that the networkhas a stationary structure, in which connections of time varying intensity are not taken into account. In other words, interactions b…
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…
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.
The paper explores MAB strategies for very short horizons, introducing new methods and showing improved performance.
problem Short horizon multi-armed bandit problems in games.
method Regression oracles, forced exploration, UCBT strategy.
result Combination of epsilon-greedy or epsilon-decreasing with regression oracles outperforms other strategies.