Time-lagged autoencoders improve molecular dynamics data analysis.
problem Analyzing slow collective variables in molecular kinetics.
method Modified autoencoder neural network for dimension reduction.
result Time-lagged autoencoders reliably capture slow dynamics.
SRV learns slow molecular modes from simulations.
problem Discovering slow collective motions in molecular dynamics.
method State-free reversible VAMPnets (SRV) for nonlinear CV approximation.
result SRVs capture slow dynamics in complex systems.
Markov state models (MSMs) and Master equation models are popular approaches to approximate molecular kinetics, equilibria, metastable states, and reaction coordinates in terms of a state space discretization usually obtained by clustering. Recently, a powerful generalization of MSMs has been introduced, the variationa…
New method learns collective variables using autoencoders for molecular simulations.
problem Learning low-dimensional slow degrees of freedom (collective variables) for molecular simulations.
method Iterative method involving CV learning with autoencoders and reweighting scheme.
result Achieves convergence of learned collective variables.
Method learns dynamics of slow variables from stochastic data.
problem Modeling unknown multiscale stochastic systems with limited data.
method Data-driven approach to learn effective dynamics from bursts of observation data.
result Generative model accurately captures effective dynamics of slow variables.
LSS learns molecular trajectories from MD data.
problem Limited integration time steps in MD simulations.
method Three deep learning networks for slow collective variables, dynamics, and configuration reconstruction.
result Generates ultra-long synthetic folding trajectories.
Solves the initial CV problem for molecular simulations using machine learning.
problem Selecting appropriate collective variables for enhancing sampling in molecular simulations.
method Data-driven approach inspired by supervised machine learning (SML).
result Various SML algorithms can be used as initial collective variables (SML_cv) for accelerated sampling.
Paper introduces slow kill for efficient large-scale variable screening.
problem Challenges in variable selection and parameter estimation for big data.
method Nonconvex constrained optimization, adaptive \(\ell_2\)-shrinkage, and increasing learning rates.
result Slow kill outperforms state-of-the-art algorithms in various situations.
Reducing volatility proxy improves apparent market correlation dynamics.
problem Attributing apparent slow collective market dynamics to intrinsic or driver inheritance.
method Coupled Ornstein-Uhlenbeck model with VIX proxy, decomposing and controlling for autocorrelation.
result VIX-coupled model reduces effective relaxation time from 298 to 61 trading days, improving fit over bare mean reversion.
Extracts intrinsic spatial coordinates for complex agent systems to learn PDEs.
problem Modeling collective dynamics of heterogeneous agents.
method Data-driven extraction of intrinsic spatial coordinates, learning PDEs in emergent space.
result Collective dynamics can be approximated through learned PDEs in emergent coordinates.
Paper shows how SFA fits into FBM framework for time series separation.
problem Identifying time series decomposition in flow-based models.
method Combining SFA and FBM to make time series decomposition identifiable.
result Time series decomposition becomes identifiable using SFA and FBM.
We provide a rigorous numerical computation method to validate periodic, homoclinic and heteroclinic orbits as the continuation of singular limit orbits for the fast-slow system x′=f(x,y,ε),y′=εg(x,y,ε) with one-dimensional slow variable y. Our validation procedure is based on topological tools called isolatin…
In this paper we investigate the life-span of classical solutions to the hyperbolic geometric flow in two space variables with slow decay initial data. By establishing some new estimates on the solutions of linear wave equations in two space variables, we give a lower bound of the life-span of classical solutions to th…
Random forests can be slow or inconsistent in certain models.
problem Performance issues of random forests in specific data-generating models.
method Intuitive arguments and numerical experiments, combined with variable use and importance statistics.
result Simple methods can create a better predictor using a forced random forest.
This review explores the use of machine learning in discovering collective variables for biomolecular dynamics.
problem Understanding the conformational dynamics and molecular recognition in biomolecules.
method Statistical analysis of high-dimensional spatiotemporal data generated from molecular dynamics simulations.
result Machine learning algorithms can be used to discover abstract collective variables that describe biomolecular dynamics.
Estimates and infers multi-stage stationary treatment policies with variable selection.
problem Valid inference for multi-stage stationary treatment policies with high-dimensional feature variables.
method Estimate the value function using augmented inverse probability weighted estimator, apply penalty for variable selection, construct one-step improvements for valid inference.
result Improved estimators are asymptotically normal, valid inference for policy parameters demonstrated.
Recurrent Neural Processes model time series with conditional independence to capture slow variabilities efficiently.
problem Modeling time series data with slow long-term variabilities efficiently.
method Recurrent Neural Processes (RNP) model state space with conditional independence among subsequences.
result RNP state spaces improve predictive performance on real-world time-series data and nonlinear system identification.
Hierarchical pretraining with slow-fast ODEs
problem Causal self-attention vs. slow-fast ODEs
method Instantiating fast-slow ODE formalism as a concrete neural network
result Equilibrium manifold x=φ(y) is exactly the master-equation (ME) stationary distribution Neural network models transform physical systems into latent Gaussian distributions.
problem Simplifying and solving classical Hamiltonian systems.
method Symplectic neural networks for canonical transformations.
result Captures nonlinear collective modes in latent space.
Anytime MiniBatch speeds up online distributed optimization by handling slow nodes.
problem Mitigating the impact of slow nodes (stragglers) in distributed optimization.
method Proposes an online distributed optimization method that averages minibatch gradients via consensus rounds.
result Prevents stragglers from slowing progress without wasting work.
New method prevents posterior collapse in generative models.
problem Posterior collapse weakens generative model capacity or requires complex objectives.
method Proposes δ-VAEs that constrain the posterior variational family to a minimum distance from the prior. result Achieves state-of-the-art log-likelihood on CIFAR-10 and ImageNet 32x32.
Extended wMEM approach for MEG inverse problem using wavelet and spatial filters.
problem Infer brain activity from full space-time data in MEG.
method Wavelet decomposition, spatial filters, Kronecker product modeling, numerical optimization.
result Smooth numerical optimization problem solved with reasonable dimensionality.
Modeling business cycles via collective risk fluctuations in economic agents' risk space.
problem Understanding and predicting business cycles through economic agents' risk dynamics.
method Continuous numerical risk grades for economic agents, modeling collective economic variables and flows as functions of risk coordinates, deriving equations for their evolution.
result Business and credit cycles are explained as fluctuations of collective economic variables and their mean risks in the risk space of economic agents.
Matrix completion method for analyzing longitudinal data.
problem Sparse and irregular longitudinal data in clinical and biomedical research.
method Iterative Singular Value Decomposition (SVD) for low-rank approximation.
result Approximates individual progression curves, explains 30% of variability.
Current economic theories miss most of economic dynamics.
problem Accuracy of economic theories and policies depend on economic variables and processes.
method Identify and analyze overlooked economic variables and processes.
result Many economic variables and processes not accounted for in current theories.
Generative model learns conditional distributions on collective variable levels.
problem Modeling conditional probability distributions on collective variable levels.
method General and efficient learning approach, data enrichment strategy.
result Effective generative models on different level-sets of collective variables.
Crypto crashes show no consistent early warning signal, suggesting they are abrupt shocks rather than critical transitions.
problem Identifying early warning signals for crypto crashes.
method Analysis of seven major BTC liquidation cascades using minute-level price and leverage/order-flow data.
result No variable is event-invariant, and the critical-slowing-down signature is present in only five out of seven events.
We introduce and treat rigorously a new multi-agent model of the continuous double auction or in other words the order book (OB). It is designed to explain collective behaviour of the market when new information affecting the market arrives. The novel feature of the model is two additional slow changing parameters, the…
Paper tackles conditional learning between different domains.
problem Learning conditional distribution between input and output domains.
method Cooperative training of fast and slow thinking models.
result Jointly trained models improve conditional learning tasks.
Spectral sparsification improves Gaussian graphical models under MTP2 constraints.
problem Learning accurate, sparse graphs from data under MTP2 constraints.
method Spectral graph sparsification applied to Gaussian graphical models.
result Spectral-MTP2 preserves MTP2 and approximates the original model well.
ISOKANN learns collective variables and effective dynamics for metastable transitions.
problem Understanding metastable transitions in complex molecular systems.
method Integrates Koopman operators with neural networks to extract CVs and effective dynamics.
result Reconstructs coarse-grained kinetics and reproduces transition times across barriers.
Study predicts crypto-currency price collapses using standard deviation.
problem Detecting price collapses in crypto-currencies.
method Phenomenological model and analysis of standard deviation.
result Standard deviation can predict crypto-currency price collapses.
A neural network RG approach for efficient collective variable identification.
problem Identifying mutually independent collective variables in complex systems.
method A variational RG approach using normalizing flows and neural nets to map physical configurations to latent variables with reduced mutual information.
result Direct access to the renormalized energy function of latent variables for unbiased training and efficient sampling.
Generative framework learns effective, lower-dimensional models from high-dimensional data.
problem Predicting long-term behavior of complex, multiscale systems with limited data.
method Physics-aware probabilistic model order reduction with latent variables.
result Guaranteed long-term stability and predictive accuracy in multiscale physical systems.
A framework learns multiscale dynamics from single trajectories using normalizing flows.
problem Learning effective stochastic dynamics from single observed paths of slow variables.
method Data-driven approach based on coupled multiscale SDEs, stochastic averaging, and normalizing flows for density modeling.
result Scalable approach to capturing epistemic uncertainty in multiscale systems.
New algorithm for parallel inference without block partitioning.
problem Slow inference in probabilistic models due to single-variable updates.
method Lower bounds ELBO with forest mixture bound for parallel inference.
result Algorithm converges faster for 'forest-like' models.
We formalize and decompose reinforcement learning problems with exogenous state variables and rewards.
problem Exogenous state variables and rewards slow down reinforcement learning.
method Formalized exogenous state variables and rewards, decomposed MDPs, derived variance-covariance condition, developed algorithms.
result Monte Carlo policy evaluation on the endogenous MDP is accelerated compared to using the full MDP.
Autoencoders discover and accelerate molecular dynamics simulations.
problem Efficient sampling of macromolecular folding landscapes with high free energy barriers.
method Employing auto-associative artificial neural networks to learn nonlinear collective variables (CVs) that are explicit and differentiable functions of atomic coordinates.
result Substantial speedups in exploration of configurational space and discovery of data-driven CVs.
Scientific and business practices are increasingly resulting in large collections of randomized experiments. Analyzed together, these collections can tell us things that individual experiments in the collection cannot. We study how to learn causal relationships between variables from the kinds of collections faced by m…
Variable selection for models including interactions between explanatory variables often needs to obey certain hierarchical constraints. The weak or strong structural hierarchy requires that the existence of an interaction term implies at least one or both associated main effects to be present in the model. Lately, thi…
Researchers provide high-order approximations of slow invariant manifolds for atmospheric models.
problem Constructing slow invariant manifolds for atmospheric models with high accuracy.
method Flow Curvature Method
result Eighteenth-order approximation of the slow manifold for generalized model, thirteenth-order for conservative model.
A new travel time tomography method uses adaptive dictionaries to model slowness variations.
problem Modeling and reconstructing slowness maps with varying scales and discontinuities.
method Local model (sparse patches) and global model (smooth constraints) integrated into a maximum a posteriori formulation.
result The LST approach effectively models both smooth and discontinuous slowness features.
This work interprets SFA through variational inference, relaxing linearity constraints.
problem Recover non-linear SFA from variational inference.
method Probabilistic interpretation of SFA through variational inference, relaxing linearity constraints.
result Reinterprets SFA as a variational framework, allowing slowness as a regularizer to reconstruction loss.
Gradient-based method extracts slow features from high-dimensional data.
problem Extracting meaningful low-dimensional features from high-dimensional, temporally varying data.
method Power Slow Feature Analysis (PowerSFA) using gradient-based training of differentiable architectures.
result PowerSFA effectively extracts meaningful low-dimensional features in various data types.
FPO optimizes policies for robust reinforcement learning by adjusting environment variables.
problem Slow learning or suboptimal policies due to unobservable environment variables.
method FPO uses Bayesian optimization to select optimal environment variable distributions.
result FPO efficiently learns robust policies for rare events.
TAEs discover slow modes but mix them with max variance modes.
problem Discovering slow modes in dynamical systems.
method Theoretical and numerical analysis of TAEs.
result TAEs learn a mixture of slow and max variance modes.
Proposes a new model for joint probability distributions in computer vision.
problem Limitation of existing models in meeting diverse downstream tasks.
method Uses parametric conditional probability distributions for each group of variables conditioned on the rest.
result Models can be used for any downstream task without task-specific design.
Proposes a method for selecting important variables in high-dimensional data.
problem High-dimensional classification problems with many noise variables.
method Probability-based nonparametric multiple-class classification method with variable selection.
result The method can have prediction power similar to Bayes rule and retains interpretability.