Algorithm learns interaction kernels for particle systems from data.
problem Understanding and modeling interactions in systems of interacting particles.
method Nonparametric algorithm using least squares with regularization, probabilistic error functional, and reproducing kernel Hilbert space convergence.
result The algorithm converges optimally and accurately learns interaction kernels.
Sparse Bayesian learning algorithm for estimating interaction kernels in Motsch-Tadmor model.
problem Data-driven identification of asymmetric interaction kernels in the Motsch-Tadmor model.
method Variational framework reformulating kernel identification as a subspace identification problem; sparse Bayesian learning algorithm with informative priors.
result Accurate, robust, and interpretable estimation of interaction kernels across various noise levels and data regimes.
New kernels capture both local and non-local interactions efficiently.
problem Designing kernels that capture both local and non-local interactions while remaining computationally tractable.
method Spectral truncation kernels based on C∗-algebra. result Spectral truncation kernels induce interactions across the data function domain and reduce computational cost.
Gaussian process framework learns interaction kernels in multi-species particle systems.
problem Learning interaction kernels in multi-species interacting particle systems from trajectory data.
method Nonparametric Bayesian approach with Gaussian processes.
result Established rigorous statistical guarantees for recoverability and optimality of interaction kernels.
Coercivity condition ensures learning of interacting particle systems.
problem Ensuring identifiability of interaction functions in learning systems of interacting particles.
method Equivalence of coercivity condition to strictly positive definiteness of an integral kernel.
result For ergodic systems, the integral kernel is strictly positive definite, satisfying the coercivity condition.
A new method uses gene interaction networks to predict gene functions.
problem Predicting gene functions from gene interactions.
method Context graph kernel approach in a machine learning framework.
result The proposed method outperforms linkage-assumption-based methods.
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.
New measures and tests for high-order interactions in complex data.
problem Challenges in capturing high-order interactions in multivariate data.
method Hierarchy of d-order interaction measures and kernel-based tests. result Established statistical significance of high-order interactions.
New graph kernels capture spatio-temporal interactions.
problem Lack of justified spatio-temporal graph kernels for graph problems.
method Derive graph kernels via SPDEs for spatio-temporal modelling.
result Non-separable spatio-temporal graph kernels outperform existing ones.
TopoNTK kernel captures higher-order interactions in simplicial complexes.
problem Graph neural networks miss higher-order interactions in relational systems.
method Introduces TopoNTK, an infinite-width kernel for simplicial message passing.
result TopoNTK captures topology invisible to graph kernels, improving expressivity and interpretability.
This work develops a learning theory for inferring interaction kernels in complex agent systems.
problem Modeling complex interactions in systems of particles or agents.
method Nonparametric regression and approximation theory.
result Strong consistency and optimal convergence rates for estimators of interaction kernels.
A fast algorithm speeds up training of pairwise kernels.
problem Training pairwise kernels efficiently for large datasets.
method Generalized vec trick for Kronecker product kernels.
result Pairwise kernels can be expressed as sums of Kronecker products.
Study identifies unique minimizers for interaction kernels in particle systems.
problem Identifying unique interaction kernels in mean-field equations of interacting particles.
method Data-adaptive L2 spaces, RKHS analysis, regularization. result Characterization of identifiability in both finite and infinite particle systems.
We introduce kernel nonparametric tests for Lancaster three-variable interaction and for total independence, using embeddings of signed measures into a reproducing kernel Hilbert space. The resulting test statistics are straightforward to compute, and are used in powerful interaction tests, which are consistent against…
A new method quickly identifies key variables and interactions.
problem Identifying key variables and interactions in high-dimensional data.
method Kernel trick for sparse orthogonal decomposition in O(# covariates) time.
result Outperforms existing methods for large, high-dimensional data sets.
Framework for joint inference of network topology and interaction types in heterogeneous systems.
problem Joint inference of network topology, multi-type interaction kernels, and latent type assignments in heterogeneous interacting particle systems.
method Three-stage approach: shared structure recovery, discrete interaction type identification, and matrix factorization.
result The method yields accurate reconstruction of underlying dynamics and is robust to noise.
Study infers interaction kernels from multiple particle trajectories.
problem Inferring interaction kernels from multiple particle trajectories in stochastic systems.
method Nonparametric inference approach based on regularized maximum likelihood estimator.
result Consistent estimator with near-optimal learning rate independent of state space dimension.
Kernel methods are studied in a mean field limit for high-dimensional data.
problem Analyzing kernel methods in high-dimensional data with many variables.
method Investigation of kernel methods in the mean field limit of interacting particle systems.
result Rigorous mean field limit of kernels and detailed analysis of the limiting reproducing kernel Hilbert space.
Particle- and agent-based systems are a ubiquitous modeling tool in many disciplines. We consider the fundamental problem of inferring interaction kernels from observations of agent-based dynamical systems given observations of trajectories, in particular for collective dynamical systems exhibiting emergent behaviors w…
We provide a methodology for learning sparse statistical models that use as features all possible multiplicative interactions among an underlying atomic set of features. While the resulting optimization problems are exponentially sized, our methodology leads to algorithms that can often solve these problems exactly or …
Study confirms optimal minimax rate for nonlocal interaction kernel estimation.
problem Estimating nonlocal interaction kernels in interacting particle systems.
method Introduced tamed least squares estimator (tLSE) achieving optimal convergence rate.
result Optimal minimax rate of convergence confirmed for β≥1/4. STRIDE improves explainable AI by efficiently decomposing feature interactions without subset enumeration.
problem Lack of expressive power and high computational cost in existing XAI frameworks.
method STRIDE uses a functional decomposition approach in RKHS, avoiding subset enumeration and focusing on orthogonal components.
result STRIDE achieves a 3.0 times speedup over TreeSHAP and a high R^2 of 0.93 for feature reconstruction.
New method uses Coulomb gases for Monte Carlo integration with reduced errors.
problem Reducing integration errors in numerical algorithms.
method Using Gibbs measures with a large deviations approach.
result Preserves large deviation principle for improved integration.
Systems of interacting particles or agents have wide applications in many disciplines such as Physics, Chemistry, Biology and Economics. These systems are governed by interaction laws, which are often unknown: estimating them from observation data is a fundamental task that can provide meaningful insights and accurate …
Estimates network structure and interaction rules from multiple agent trajectories.
problem Modeling multi-agent systems on networks from data.
method Jointly infers network topology and interaction kernels using non-convex optimization.
result ORALS estimator is consistent and asymptotically normal under coercivity conditions.
New tests detect high-order interactions without permutations.
problem Scalability issues in kernel-based tests for high-order interactions.
method Permutation-free high-order tests using V-statistics and cross-centring.
result Tests yield standard normal distribution under null hypothesis.
A new method predicts higher-order interactions in evolving graphs using simplicial complexes.
problem Predicting higher-order interactions in dynamic graphs with theoretical guarantees.
method Capturing higher-order interactions as simplices, modeling neighborhoods with face-vectors, and developing a nonparametric kernel estimator.
result Our method outperforms existing higher-order prediction methods and is theoretically consistent.
Kernel-based mean-field games use MMD penalties for interaction and target costs.
problem Optimizing mean-field games with specific cost functions.
method Kernel structure, random Fourier U-statistics, neural network training.
result Sample-level convergence theorem and rate of convergence proved.
The paper proposes a GP-based method for discovering second-order particle dynamics models.
problem Discovering a general second-order particle-based model for agent interactions.
method Gaussian Process-based approach integrating two independent GP priors on latent interaction kernels.
result The method learns effective nonlinear dynamics representations from small data sets.
The extended Wild sums considered in this article generalize the classi- cal Wild sums of statistical physics. We first show how to obtain explicit solutions for the evolution equation of a large system where the interactions are given by a single, but general, interacting kernel which involves m components, for a fixe…
Deep convolutional networks can be understood through kernel methods, providing insights into their inductive bias.
problem Understanding the functional space and inductive bias of deep convolutional networks.
method Using kernel methods to analyze simple hierarchical kernels with convolution and pooling layers.
result The RKHS consists of additive models of interaction terms between patches, and pooling layers encourage spatial similarities.
New non-separable covariance kernels for spatiotemporal data derived from harmonic oscillator physics.
problem Capturing complex spatiotemporal dependencies in Gaussian processes.
method Hybrid spectral method based on the harmonic oscillator, deriving explicit covariance kernels.
result Explicit non-separable covariance kernels with space-time interactions.
The paper extends Gaussian processes to model complex interactions in cellular complexes.
problem Capturing topological inductive biases in machine learning models.
method Proposes Gaussian processes on cellular complexes, introducing novel kernels.
result Derives two novel kernels for modeling interactions between cells.
In genome-wide interaction studies, to detect gene-gene interactions, most methods are divided into two folds: single nucleotide polymorphisms (SNP) based and gene-based methods. Basically, the methods based on the gene are more effective than the methods based on a single SNP. Recent years, while the kernel canonical …
Virtual screening (VS) is widely used during computational drug discovery to reduce costs. Chemogenomics-based virtual screening (CGBVS) can be used to predict new compound-protein interactions (CPIs) from known CPI network data using several methods, including machine learning and data mining. Although CGBVS facilitat…
HyBO optimizes hybrid structures using diffusion kernels.
problem Optimizing complex interactions between discrete and continuous variables.
method HyBO uses diffusion kernels over hybrid spaces with additive kernel formulation.
result HyBO significantly outperforms state-of-the-art methods on real-world benchmarks.
We consider fast kernel summations in high dimensions: given a large set of points in d dimensions (with d≫3) and a pair-potential function (the {\em kernel} function), we compute a weighted sum of all pairwise kernel interactions for each point in the set. Direct summation is equivalent to a (dense) matrix-vec…
Machine learning and geostatistics are powerful mathematical frameworks for modeling spatial data. Both approaches, however, suffer from poor scaling of the required computational resources for large data applications. We present the Stochastic Local Interaction (SLI) model, which employs a local representation to impr…
In this study, we tested the interaction effect of multimodal datasets using a novel method called the kernel method for detecting higher order interactions among biologically relevant mulit-view data. Using a semiparametric method on a reproducing kernel Hilbert space (RKHS), we used a standard mixed-effects linear mo…
Multitask Gaussian process (MTGP) is powerful for joint learning of multiple tasks with complicated correlation patterns. However, due to the assembling of additive independent latent functions, all current MTGPs including the salient linear model of coregionalization (LMC) and convolution frameworks cannot effectively…
Determinantal point processes (DPPs) have attracted significant attention as an elegant model that is able to capture the balance between quality and diversity within sets. DPPs are parameterized by a positive semi-definite kernel matrix. While DPPs have substantial expressive power, they are fundamentally limited by t…
Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are developed within support vector machines for the prediction. Graph matching methods are …
Discovering interaction effects on a response of interest is a fundamental problem faced in biology, medicine, economics, and many other scientific disciplines. In theory, Bayesian methods for discovering pairwise interactions enjoy many benefits such as coherent uncertainty quantification, the ability to incorporate b…
Study on capillarity minimizers with nonlocal repulsion and gravity, proving existence and nonexistence.
problem Minimizing an energy functional with capillarity, nonlocal repulsion, and gravity.
method Quantitative isoperimetric inequalities applied to capillarity problem in a half-space.
result Existence and nonexistence of minimizers for various nonlocal kernels and masses.
Scalable Gaussian Process Operator tackles high-dimensional PDEs.
problem Scaling Gaussian Process Operators to high-dimensional, data-intensive regimes.
method Nearest-neighbor-based local kernel approximations, sparse kernel approximation, structured Kronecker factorizations, operator-aware kernel structures, task-informed mean functions.
result Consistently achieves high accuracy across varying discretization scales.
Paper analyzes convergence rates of mean-field SVGD method.
problem Establishing quantitative rates of convergence for mean-field SVGD.
method Quantitative analysis of mean-field SVGD dynamics on torus.
result Explicit polynomial convergence rates in L2-norm for Riesz-type kernels.
We propose in this work RBM-SVGD, a stochastic version of Stein Variational Gradient Descent (SVGD) method for efficiently sampling from a given probability measure and thus useful for Bayesian inference. The method is to apply the Random Batch Method (RBM) for interacting particle systems proposed by Jin et al to the …
The book explores stochastic areas and heat kernels on manifolds.
problem Understanding stochastic area functionals and heat kernels on manifolds.
method Study of Brownian motions and heat kernels on Lie groups and Riemannian manifolds.
result Rich interactions between stochastic calculus, geometry, and random matrices.