Abstract We give a simple, direct, and reusable logical relations technique for languages with term and type recursion and partially defined differentiable functions. We demonstrate it by working out the case of automatic differentiation (AD) correctness: namely, we present a correctness proof of a dual numbers style AD code transformation for realistic functional languages in the ML-family. We also show how this code transformation provides us with correct forward- and reverse-mode AD. The starting point is to interpret a functional programming language as a suitable freely generated categorical structure. In this setting, by the universal property of the syntactic categorical structure, the dual numbers AD code transformation and the basic $\boldsymbol{\omega } \mathbf{Cpo}$ -semantics arise as structure preserving functors. The proof follows, then, by a novel logical relations argument. The key to much of our contribution is a powerful monadic logical relations technique for term recursion and recursive types. It provides us with a semantic correctness proof based on a simple approach for denotational semantics, making use only of the very basic concrete model of $\omega$ -cpos.

We show how the basic Combinatory Homomorphic Automatic Differentiation (CHAD) algorithm can be optimised, using well-known methods, to yield a simple, composable, and generally applicable reverse-mode automatic differentiation (AD) technique that has the correct computational complexity that we would expect of reverse-mode AD. Specifically, we show that the standard optimisations of sparse vectors and state-passing style code (as well as defunctionalisation/closure conversion, for higher-order languages) give us a purely functional algorithm that is most of the way to the correct complexity, with (functional) mutable updates taking care of the final log-factors. We provide an Agda formalisation of our complexity proof. Finally, we discuss how the techniques apply to differentiating parallel functional array programs: the key observations are 1) that all required mutability is (commutative, associative) accumulation, which lets us preserve task-parallelism and 2) that we can write down data-parallel derivatives for most data-parallel array primitives.

Abstract We show how to apply forward and reverse mode Combinatory Homomorphic Automatic Differentiation (CHAD) (Vákár (2021). ESOP , 607–634; Vákár and Smeding (2022). ACM Transactions on Programming Languages and Systems 44 (3) 20:1–20:49.) to total functional programming languages with expressive type systems featuring the combination of • tuple types; • sum types; • inductive types; • coinductive types; • function types. We achieve this by analyzing the categorical semantics of such types in $\Sigma$ -types (Grothendieck constructions) of suitable categories. Using a novel categorical logical relations technique for such expressive type systems, we give a correctness proof of CHAD in this setting by showing that it computes the usual mathematical derivative of the function that the original program implements. The result is a principled, purely functional and provably correct method for performing forward- and reverse-mode automatic differentiation (AD) on total functional programming languages with expressive type systems.

Where dual-numbers forward-mode automatic differentiation (AD) pairs each scalar value with its tangent value, dual-numbers reverse-mode AD attempts to achieve reverse AD using a similarly simple idea: by pairing each scalar value with a backpropagator function. Its correctness and efficiency on higher-order input languages have been analysed by Brunel, Mazza and Pagani, but this analysis used a custom operational semantics for which it is unclear whether it can be implemented efficiently. We take inspiration from their use of linear factoring to optimise dual-numbers reverse-mode AD to an algorithm that has the correct complexity and enjoys an efficient implementation in a standard functional language with support for mutable arrays, such as Haskell. Aside from the linear factoring ingredient, our optimisation steps consist of well-known ideas from the functional programming community. We demonstrate the use of our technique by providing a practical implementation that differentiates most of Haskell98.

We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Throughout, we show how the analysis extends to AD methods for computing higher order derivatives using a Taylor approximation.

A central goal of probabilistic programming languages (PPLs) is to separate modelling from inference. However, this goal is hard to achieve in practice. Users are often forced to re-write their models to improve efficiency of inference or meet restrictions imposed by the PPL. Conditional independence (CI) relationships among parameters are a crucial aspect of probabilistic models that capture a qualitative summary of the specified model and can facilitate more efficient inference. We present an information flow type system for probabilistic programming that captures conditional independence (CI) relationships and show that, for a well-typed program in our system, the distribution it implements is guaranteed to have certain CI-relationships. Further, by using type inference, we can statically deduce which CI-properties are present in a specified model. As a practical application, we consider the problem of how to perform inference on models with mixed discrete and continuous parameters. Inference on such models is challenging in many existing PPLs, but can be improved through a workaround, where the discrete parameters are used implicitly , at the expense of manual model re-writing. We present a source-to-source semantics-preserving transformation, which uses our CI-type system to automate this workaround by eliminating the discrete parameters from a probabilistic program. The resulting program can be seen as a hybrid inference algorithm on the original program, where continuous parameters can be drawn using efficient gradient-based inference methods, while the discrete parameters are inferred using variable elimination. We implement our CI-type system and its example application in SlicStan: a compositional variant of Stan. 1

We introduce Combinatory Homomorphic Automatic Differentiation (CHAD), a principled, pure, provably correct define-then-run method for performing forward and reverse mode automatic differentiation (AD) on programming languages with expressive features. It implements AD as a compositional, type-respecting source-code transformation that generates purely functional code. This code transformation is principled in the sense that it is the unique homomorphic (structure preserving) extension to expressive languages of Elliott’s well-known and unambiguous definitions of AD for a first-order functional language. Correctness of the method follows by a (compositional) logical relations argument that shows that the semantics of the syntactic derivative is the usual calculus derivative of the semantics of the original program. In their most elegant formulation, the transformations generate code with linear types. However, the code transformations can be implemented in a standard functional language lacking linear types: While the correctness proof requires tracking of linearity, the actual transformations do not. In fact, even in a standard functional language, we can get all of the type-safety that linear types give us: We can implement all linear types used to type the transformations as abstract types by using a basic module system. In this article, we detail the method when applied to a simple higher-order language for manipulating statically sized arrays. However, we explain how the methodology applies, more generally, to functional languages with other expressive features. Finally, we discuss how the scope of CHAD extends beyond applications in AD to other dynamic program analyses that accumulate data in a commutative monoid.

Abstract We show how to define forward- and reverse-mode automatic differentiation source-code transformations or on a standard higher-order functional language. The transformations generate purely functional code, and they are principled in the sense that their definition arises from a categorical universal property. We give a semantic proof of correctness of the transformations. In their most elegant formulation, the transformations generate code with linear types. However, we demonstrate how the transformations can be implemented in a standard functional language without sacrificing correctness. To do so, we make use of abstract data types to represent the required linear types, e.g. through the use of a basic module system.

Abstract We present semantic correctness proofs of Automatic Differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Finally, we sketch how the analysis extends to other AD methods by considering a continuation-based method.

We give an adequate denotational semantics for languages with recursive higher-order types, continuous probability distributions, and soft constraints. These are expressive languages for building Bayesian models of the kinds used in computational statistics and machine learning. Among them are untyped languages, similar to Church and WebPPL, because our semantics allows recursive mixed-variance datatypes. Our semantics justifies important program equivalences including commutativity. Our new semantic model is based on `quasi-Borel predomains'. These are a mixture of chain-complete partial orders (cpos) and quasi-Borel spaces. Quasi-Borel spaces are a recent model of probability theory that focuses on sets of admissible random elements. Probability is traditionally treated in cpo models using probabilistic powerdomains, but these are not known to be commutative on any class of cpos with higher order functions. By contrast, quasi-Borel predomains do support both a commutative probabilistic powerdomain and higher-order functions. As we show, quasi-Borel predomains form both a model of Fiore's axiomatic domain theory and a model of Kock's synthetic measure theory.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.