parameter inference
Parameter Inference with Bifurcation Diagrams
Estimation of parameters in differential equation models can be achieved by applying learning algorithms to quantitative time-series data. However, sometimes it is only possible to measure qualitative changes of a system in response to a controlled condition. In dynamical systems theory, such change points are known as bifurcations and lie on a function of the controlled condition called the bifurcation diagram. In this work, we propose a gradient-based approach for inferring the parameters of differential equations that produce a user-specified bifurcation diagram. The cost function contains an error term that is minimal when the model bifurcations match the specified targets and a bifurcation measure which has gradients that push optimisers towards bifurcating parameter regimes. The gradients can be computed without the need to differentiate through the operations of the solver that was used to compute the diagram. We demonstrate parameter inference with minimal models which explore the space of saddle-node and pitchfork diagrams and the genetic toggle switch from synthetic biology. Furthermore, the cost landscape allows us to organise models in terms of topological and geometric equivalence.
A Latent-Variable Formulation of the Poisson Canonical Polyadic Tensor Model: Maximum Likelihood Estimation and Fisher Information
Llosa-Vite, Carlos, Dunlavy, Daniel M., Lehoucq, Richard B., López, Oscar, Prasadan, Arvind
We establish parameter inference for the Poisson canonical polyadic (PCP) tensor model through a latent-variable formulation. Our approach exploits the observation that any random PCP tensor can be derived by marginalizing an unobservable random tensor of one dimension larger. The loglikelihood of this larger dimensional tensor, referred to as the "complete" loglikelihood, is comprised of multiple rank one PCP loglikelihoods. Using this methodology, we first derive non-iterative maximum likelihood estimators for the PCP model and demonstrate that several existing algorithms for fitting non-negative matrix and tensor factorizations are Expectation-Maximization algorithms. Next, we derive the observed and expected Fisher information matrices for the PCP model. The Fisher information provides us crucial insights into the well-posedness of the tensor model, such as the role that tensor rank plays in identifiability and indeterminacy. For the special case of rank one PCP models, we demonstrate that these results are greatly simplified.
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Predictively Oriented Posteriors
McLatchie, Yann, Cherief-Abdellatif, Badr-Eddine, Frazier, David T., Knoblauch, Jeremias
We advocate for a new statistical principle that combines the most desirable aspects of both parameter inference and density estimation. This leads us to the predictively oriented (PrO) posterior, which expresses uncertainty as a consequence of predictive ability. Doing so leads to inferences which predictively dominate both classical and generalised Bayes posterior predictive distributions: up to logarithmic factors, PrO posteriors converge to the predictively optimal model average at rate $n^{-1/2}$. Whereas classical and generalised Bayes posteriors only achieve this rate if the model can recover the data-generating process, PrO posteriors adapt to the level of model misspecification. This means that they concentrate around the true model at rate $n^{1/2}$ in the same way as Bayes and Gibbs posteriors if the model can recover the data-generating distribution, but do \textit{not} concentrate in the presence of non-trivial forms of model misspecification. Instead, they stabilise towards a predictively optimal posterior whose degree of irreducible uncertainty admits an interpretation as the degree of model misspecification -- a sharp contrast to how Bayesian uncertainty and its existing extensions behave. Lastly, we show that PrO posteriors can be sampled from by evolving particles based on mean field Langevin dynamics, and verify the practical significance of our theoretical developments on a number of numerical examples.
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- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty > Bayesian Inference (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Directed Networks > Bayesian Learning (1.00)
Spatiodynamic inference using vision-based generative modelling
Park, Jun Won, Zhao, Kangyu, Rane, Sanket
Biological systems commonly exhibit complex spatiotemporal patterns whose underlying generative mechanisms pose a significant analytical challenge. Traditional approaches to spatiodynamic inference rely on dimensionality reduction through summary statistics, which sacrifice complexity and interdependent structure intrinsic to these data in favor of parameter identifiability. This imposes a fundamental constraint on reliably extracting mechanistic insights from spatiotemporal data, highlighting the need for analytical frameworks that preserve the full richness of these dynamical systems. To address this, we developed a simulation-based inference framework that employs vision transformer-driven variational encoding to generate compact representations of the data, exploiting the inherent contextual dependencies. These representations are subsequently integrated into a likelihood-free Bayesian approach for parameter inference. The central idea is to construct a fine-grained, structured mesh of latent representations from simulated dynamics through systematic exploration of the parameter space. This encoded mesh of latent embeddings then serves as a reference map for retrieving parameter values that correspond to observed data. By integrating generative modeling with Bayesian principles, our approach provides a unified inference framework to identify both spatial and temporal patterns that manifest in multivariate dynamical systems.
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- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning (1.00)
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CosmoFlow: Scale-Aware Representation Learning for Cosmology with Flow Matching
Kannan, Sidharth, Qiu, Tian, Cuesta-Lazaro, Carolina, Jeong, Haewon
The large-scale structure of the Universe provides one of the most stringent tests of gravity on cosmological scales. Over the past decades, the ΛCDM cosmological model has emerged as the standard framework for understanding our cosmos, where Λ represents the cosmological constant (associated with dark energy) and CDM denotes cold dark matter--which together comprise approximately 95% of the Universe's energy budget. Theoretical predictions of ΛCDM can now be implemented with remarkable precision in numerical simulations, which capture the formation of the cosmic web: an intricate network where galaxies reside in dense clusters, connected by filamen-tary structures and separated by vast cosmic voids. This success, however, presents cosmology with a new challenge. High-resolution simulations like AbacusSummit generate datasets exceeding 2000 TB, severely constraining our ability to scale training datasets for machine learning applications. Moreover, extracting meaningful insights from these high-dimensional datasets requires models that can effectively navigate the curse of dimensionality.
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How many simulations do we need for simulation-based inference in cosmology?
Bairagi, Anirban, Wandelt, Benjamin, Villaescusa-Navarro, Francisco
How many simulations do we need to train machine learning methods to extract information available from summary statistics of the cosmological density field? Neural methods have shown the potential to extract non-linear information available from cosmological data. Success depends critically on having sufficient simulations for training the networks and appropriate network architectures. In the first detailed convergence study of neural network training for cosmological inference, we show that currently available simulation suites, such as the Quijote Latin Hypercube(LH) with 2000 simulations, do not provide sufficient training data for a generic neural network to reach the optimal regime, even for the dark matter power spectrum, and in an idealized case. We discover an empirical neural scaling law that predicts how much information a neural network can extract from a highly informative summary statistic, the dark matter power spectrum, as a function of the number of simulations used to train the network, for a wide range of architectures and hyperparameters. We combine this result with the Cramer-Rao information bound to forecast the number of training simulations needed for near-optimal information extraction. To verify our method we created the largest publicly released simulation data set in cosmology, the Big Sobol Sequence(BSQ), consisting of 32,768 $\Lambda$CDM n-body simulations uniformly covering the $\Lambda$CDM parameter space. Our method enables efficient planning of simulation campaigns for machine learning applications in cosmology, while the BSQ dataset provides an unprecedented resource for studying the convergence behavior of neural networks in cosmological parameter inference. Our results suggest that new large simulation suites or new training approaches will be necessary to achieve information-optimal parameter inference from non-linear simulations.
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A Distributional Treatment of Real2Sim2Real for Vision-Driven Deformable Linear Object Manipulation
Kamaras, Georgios, Ramamoorthy, Subramanian
We present an integrated (or end-to-end) framework for the Real2Sim2Real problem of manipulating deformable linear objects (DLOs) based on visual perception. Working with a parameterised set of DLOs, we use likelihood-free inference (LFI) to compute the posterior distributions for the physical parameters using which we can approximately simulate the behaviour of each specific DLO. We use these posteriors for domain randomisation while training, in simulation, object-specific visuomotor policies for a visuomotor DLO reaching task, using model-free reinforcement learning. We demonstrate the utility of this approach by deploying sim-trained DLO manipulation policies in the real world in a zero-shot manner, i.e. without any further fine-tuning. In this context, we evaluate the capacity of a prominent LFI method to perform fine classification over the parametric set of DLOs, using only visual and proprioceptive data obtained in a dynamic manipulation trajectory. We then study the implications of the resulting domain distributions in sim-based policy learning and real-world performance.
Parameter Inference via Differentiable Diffusion Bridge Importance Sampling
Boserup, Nicklas, Yang, Gefan, Severinsen, Michael Lind, Hipsley, Christy Anna, Sommer, Stefan
We introduce a methodology for performing parameter inference in high-dimensional, non-linear diffusion processes. We illustrate its applicability for obtaining insights into the evolution of and relationships between species, including ancestral state reconstruction. Estimation is performed by utilising score matching to approximate diffusion bridges, which are subsequently used in an importance sampler to estimate log-likelihoods. The entire setup is differentiable, allowing gradient ascent on approximated log-likelihoods. This allows both parameter inference and diffusion mean estimation. This novel, numerically stable, score matching-based parameter inference framework is presented and demonstrated on biological two- and three-dimensional morphometry data.
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Parameter Inference with Bifurcation Diagrams
Estimation of parameters in differential equation models can be achieved by applying learning algorithms to quantitative time-series data. However, sometimes it is only possible to measure qualitative changes of a system in response to a controlled condition. In dynamical systems theory, such change points are known as bifurcations and lie on a function of the controlled condition called the bifurcation diagram. In this work, we propose a gradient-based approach for inferring the parameters of differential equations that produce a user-specified bifurcation diagram. The cost function contains an error term that is minimal when the model bifurcations match the specified targets and a bifurcation measure which has gradients that push optimisers towards bifurcating parameter regimes.
Parameters Inference for Nonlinear Wave Equations with Markovian Switching
Zhang, Yi, Zhang, Zhikun, Wang, Xiangjun
Traditional partial differential equations with constant coefficients often struggle to capture abrupt changes in real-world phenomena, leading to the development of variable coefficient PDEs and Markovian switching models. Recently, research has introduced the concept of PDEs with Markov switching models, established their well-posedness and presented numerical methods. However, there has been limited discussion on parameter estimation for the jump coefficients in these models. This paper addresses this gap by focusing on parameter inference for the wave equation with Markovian switching. We propose a Bayesian statistical framework using discrete sparse Bayesian learning to establish its convergence and a uniform error bound. Our method requires fewer assumptions and enables independent parameter inference for each segment by allowing different underlying structures for the parameter estimation problem within each segmented time interval. The effectiveness of our approach is demonstrated through three numerical cases, which involve noisy spatiotemporal data from different wave equations with Markovian switching. The results show strong performance in parameter estimation for variable coefficient PDEs.