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Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different…
We consider deep multivariate models for heterogeneous collections of random variables. In the context of computer vision, such collections may e.g. consist of images, segmentations, image attributes, and latent variables. When developing…
The goal of this paper is to demonstrate the general modeling and practical simulation of random equations with mixture model parameter random variables. Random equations, understood as stationary (non-dynamical) equations with parameters…
In numerical integration, cubature methods are effective, especially when the integrands can be well-approximated by known test functions, such as polynomials. However, the construction of cubature formulas has not generally been known, and…
Considering the increasing size of available data, the need for statistical methods that control the finite sample bias is growing. This is mainly due to the frequent settings where the number of variables is large and allowed to increase…
Probabilistic programs provide an expressive representation language for generative models. Given a probabilistic program, we are interested in the task of posterior inference: estimating a latent variable given a set of observed variables.…
With sound unification, Definite Clause Grammars and compact expression of combinatorial generation algorithms, logic programming is shown to conveniently host a declarative playground where interesting properties and behaviors emerge from…
In this paper we introduce a framework for option model composition. Option models are temporal abstractions that, like macro-operators in classical planning, jump directly from a start state to an end state. Prior work has focused on…
Co-simulation is widely used in the industry due to the emergence of modular dynamical models made up of interconnected, black-boxed systems. Several co-simulation algorithms have been developed, each with different properties and different…
Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…
The function of biomolecules such as proteins depends on their ability to interconvert between a wide range of structures or "conformations." Researchers have endeavored for decades to develop computational methods to predict the…
Sharing of notations and theories across an inheritance hierarchy of mathematical structures, e.g., groups and rings, is important for productivity when formalizing mathematics in proof assistants. The packed classes methodology is a…
Recent work in model-agnostic explanations of black-box machine learning has demonstrated that interpretability of complex models does not have to come at the cost of accuracy or model flexibility. However, it is not clear what kind of…
Machine learning models are a powerful theoretical tool for analyzing data from quantum simulators, in which results of experiments are sets of snapshots of many-body states. Recently, they have been successfully applied to distinguish…
Performing numerical integration when the integrand itself cannot be evaluated point-wise is a challenging task that arises in statistical analysis, notably in Bayesian inference for models with intractable likelihood functions. Markov…
Although there is a rich literature on methods for allowing the variance in a univariate regression model to vary with predictors, time and other factors, relatively little has been done in the multivariate case. Our focus is on developing…
Interpretable machine learning has become a strong competitor for traditional black-box models. However, the possible loss of the predictive performance for gaining interpretability is often inevitable, putting practitioners in a dilemma of…
Parser combinators are a well-known mechanism used for the compositional construction of parsers, and have shown to be particularly useful in writing parsers for rich grammars with data-dependencies and global state. Verifying applications…
Computing the expectation of kernel functions is a ubiquitous task in machine learning, with applications from classical support vector machines to exploiting kernel embeddings of distributions in probabilistic modeling, statistical…
Scientific machine learning often requires combining known physics with unknown parameters or correction terms learned from data. Existing approaches either ignore known structure, encode it as a soft penalty, or require hand-written…