Related papers: Improving Convergence of Generalised Rosenbluth Sa…
We study the Riemannian Langevin Algorithm for the problem of sampling from a distribution with density $\nu$ with respect to the natural measure on a manifold with metric $g$. We assume that the target density satisfies a log-Sobolev…
In many machine learning tasks, models are trained to predict structure data such as graphs. For example, in natural language processing, it is very common to parse texts into dependency trees or abstract meaning representation (AMR)…
Generalized linear models (GLMs) form one of the most popular classes of models in statistics. The gamma variant is used, for instance, in actuarial science for the modelling of claim amounts in insurance. A flaw of GLMs is that they are…
Quantifying the impacts of anthropogenic global warming requires accurate Earth system model (ESM) simulations. Statistical bias correction and downscaling can be applied to reduce errors and increase the resolution of ESMs. However,…
Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods,…
The next generation of galaxy surveys, aiming to observe millions of galaxies, are expensive both in time and cost. This raises questions regarding the optimal investment of this time and money for future surveys. In a previous work, it was…
We consider Ising mixed $p$-spin glasses at high-temperature and without external field, and study the problem of sampling from the Gibbs distribution $\mu$ in polynomial time. We develop a new sampling algorithm with complexity of the same…
In this letter we present a flat histogram algorithm based on the pruned and enriched Rosenbluth method (PERM). This algorithm incorporates in a straightforward manner microcanonical reweighting techniques, leading to "flat histogram"…
In this paper we develop the Greedy Recombination Interpolation Method (GRIM) for finding sparse approximations of functions initially given as linear combinations of some (large) number of simpler functions. In a similar spirit to the…
Machine Reading Comprehension (MRC) is an active field in natural language processing with many successful developed models in recent years. Despite their high in-distribution accuracy, these models suffer from two issues: high training…
The combined algorithm selection and hyperparameter tuning (CASH) problem is characterized by large hierarchical hyperparameter spaces. Model-free hyperparameter tuning methods can explore such large spaces efficiently since they are highly…
The gradient scheme framework is based on a small number of properties and encompasses a large number of numerical methods for diffusion models. We recall these properties and develop some new generic tools associated with the gradient…
When randomized ensemble methods such as bagging and random forests are implemented, a basic question arises: Is the ensemble large enough? In particular, the practitioner desires a rigorous guarantee that a given ensemble will perform…
Sparse prediction with categorical data is challenging even for a moderate number of variables, because one parameter is roughly needed to encode one category or level. The Group Lasso is a well known efficient algorithm for selection…
We present a family of \textit{Gaussian Mixture Approximation} (GMA) samplers for sampling unnormalised target densities, encompassing \textit{weights-only GMA} (W-GMA), \textit{Laplace Mixture Approximation} (LMA),…
We demonstrate that the recently proposed pruned-enriched Rosenbluth method PERM (P.~Grassberger, Phys.~Rev.~{\bf E 56} (1997) 3682) leads to very efficient algorithms for the folding of simple model proteins. We test it on several models…
We present a novel proposal strategy for the Metropolis-Hastings algorithm designed to efficiently sample general convex polytopes in 100 or more dimensions. This improves upon previous sampling strategies used for free-form reconstruction…
In this publication we introduce SAMPLE, a structure search approach for commensurate organic monolayers on inorganic substrates. Such monolayers often show rich polymorphism with diverse molecular arrangements in differently shaped unit…
The standard practice in Generative Adversarial Networks (GANs) discards the discriminator during sampling. However, this sampling method loses valuable information learned by the discriminator regarding the data distribution. In this work,…
Star-shaped bodies are an important nonconvex generalization of convex bodies (e.g., linear programming with violations). Here we present an efficient algorithm for sampling a given star-shaped body. The complexity of the algorithm grows…