Related papers: Deriving Distributive Laws for Graded Linear Types
We demonstrate a deep learning framework which is inherently based in the highly expressive language of relational logic, enabling to, among other things, capture arbitrarily complex graph structures. We show how Graph Neural Networks and…
Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs).…
Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…
Graph neural networks (GNNs) have emerged as powerful tools to accurately predict materials and molecular properties in computational discovery pipelines. In this article, we exploit the invertible nature of these neural networks to…
Model explainability is crucial for human users to be able to interpret how a proposed classifier assigns labels to data based on its feature values. We study generalized linear models constructed using sets of feature value rules, which…
Derivatives of computer graphics, image processing, and deep learning algorithms have tremendous use in guiding parameter space searches, or solving inverse problems. As the algorithms become more sophisticated, we no longer only need to…
In this paper, we study the ability of large language models to learn specific mathematical rules such as distributivity or simplifying equations. We present an empirical analysis of their ability to generalize these rules, as well as to…
User defined recursive types are a fundamental feature of modern functional programming languages like Haskell, Clean, and the ML family of languages. Properties of programs defined by recursion on the structure of recursive types are…
Regular tree grammars and regular path expressions constitute core constructs widely used in programming languages and type systems. Nevertheless, there has been little research so far on reasoning frameworks for path expressions where node…
In this paper we present a new static data type inference algorithm for logic programming. Without the need of declaring types for predicates, our algorithm is able to automatically assign types to predicates which, in most cases,…
Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…
A common assumption in causal modeling posits that the data is generated by a set of independent mechanisms, and algorithms should aim to recover this structure. Standard unsupervised learning, however, is often concerned with training a…
The categorical compositional distributional model of natural language provides a conceptually motivated procedure to compute the meaning of sentences, given grammatical structure and the meanings of its words. This approach has…
Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been…
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected…
Metrics specifying distances between data points can be learned in a discriminative manner or from generative models. In this paper, we show how to unify generative and discriminative learning of metrics via a kernel learning framework.…
We study the problem of learning differentiable functions expressed as programs in a domain-specific language. Such programmatic models can offer benefits such as composability and interpretability; however, learning them requires…
In this paper we consider distributed optimization problems in which the cost function is separable, i.e., a sum of possibly non-smooth functions all sharing a common variable, and can be split into a strongly convex term and a convex one.…
Distributive laws give a way of combining two algebraic structures expressed as monads; in this paper we propose a theory of distributive laws for combining algebraic structures expressed as Lawvere theories. We propose four approaches,…
Type classes in Haskell are used to implement ad-hoc polymorphism, i.e. a way to ensure both to the programmer and the compiler that a set of functions are defined for a specific data type. All instances of such type classes are expected to…