Various software efforts embrace the idea that object oriented programming enables a convenient implementation of the chain rule, facilitating so-called automatic differentiation via backpropagation. Such frameworks have no mechanism for simplifying the expressions (obtained via the chain rule) before evaluating them. As we illustrate below, the resulting errors tend to be unbounded.

Learning from human feedback (LHF) -- and in particular learning from pairwise preferences -- has recently become a crucial ingredient in training large language models (LLMs), and has been the subject of much research. Most recent works frame it as a reinforcement learning problem, where a reward function is learned from pairwise preference data and the LLM is treated as a policy which is adapted to maximize the rewards, often under additional regularization constraints. We propose an alternative interpretation which centers on the generative process for pairwise preferences and treats LHF as a density estimation problem. We provide theoretical and empirical results showing that for a family of generative processes defined via preference behavior distribution equations, training a reward function on pairwise preferences effectively models an annotator's implicit preference distribution. Finally, we discuss and present findings on "annotator misspecification" -- failure cases where wrong modeling assumptions are made about annotator behavior, resulting in poorly-adapted models -- suggesting that approaches that learn from pairwise human preferences could have trouble learning from a population of annotators with diverse viewpoints.

Much of today's machine learning research involves interpreting, modifying or visualizing models after they are trained. I present Penzai, a neural network library designed to simplify model manipulation by representing models as simple data structures, and Treescope, an interactive pretty-printer and array visualizer that can visualize both model inputs/outputs and the models themselves. Penzai models are built using declarative combinators that expose the model forward pass in the structure of the model object itself, and use named axes to ensure each operation is semantically meaningful. With Penzai's tree-editing selector system, users can both insert and replace model components, allowing them to intervene on intermediate values or make other edits to the model structure. Users can then get immediate feedback by visualizing the modified model with Treescope. I describe the motivation and main features of Penzai and Treescope, and discuss how treating the model as data enables a variety of analyses and interventions to be implemented as data-structure transformations, without requiring model designers to add explicit hooks.

Identifying how much a model ${\widehat{p}}_{\theta}(Y|X)$ knows about the stochastic real-world process $p(Y|X)$ it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate $p(Y|X)$ and also estimate the remaining gaps between ${\widehat{p}}_{\theta}(Y|X)$ and $p(Y|X)$: train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for $p(Y|X)$ and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Algebraic effect handlers support composable and structured control-flow abstraction. However, existing designs of algebraic effects often require effects to be executed sequentially. This paper studies parallel algebraic effect handlers. In particular, we formalize λ p , a lambda calculus which models two key features, effect handlers and parallelizable computations, the latter of which takes the form of a for expression, inspired by the Dex programming language. We present various interesting examples expressible in our calculus. To show that our design can be implemented in a type-safe way, we present a higher-order polymorphic lambda calculus F p that extends λ p with a lightweight value dependent type system, and prove that F p preserves the semantics of λ p and enjoys syntactic type soundness. Lastly, we provide an implementation of the language design as a Haskell library, which mirrors both λ p and F p and reveals new connections to free applicative functors. All examples presented can be encoded in the Haskell implementation. We believe this paper is the first to study the combination of user-defined effect handlers and parallel computations, and it is our hope that it provides a basis for future designs and implementations of parallel algebraic effect handlers.

There are many physical processes that have inherent discontinuities in their mathematical formulations. This paper is motivated by the specific case of collisions between two rigid or deformable bodies and the intrinsic nature of that discontinuity. The impulse response to a collision is discontinuous with the lack of any response when no collision occurs, which causes difficulties for numerical approaches that require differentiability which are typical in machine learning, inverse problems, and control. We theoretically and numerically demonstrate that the derivative of the collision time with respect to the parameters becomes infinite as one approaches the barrier separating colliding from not colliding, and use lifting to complexify the solution space so that solutions on the other side of the barrier are directly attainable as precise values. Subsequently, we mollify the barrier posed by the unbounded derivatives, so that one can tunnel back and forth in a smooth and reliable fashion facilitating the use of standard numerical approaches. Moreover, we illustrate that standard approaches fail in numerous ways mostly due to a lack of understanding of the mathematical nature of the problem (e.g. typical backpropagation utilizes many rules of differentiation, but ignores L'Hopital's rule).

Many ML applications and products train on medium amounts of input data but get bottlenecked in real-time inference. When implementing ML systems, conventional wisdom favors segregating ML code into services queried by product code via Remote Procedure Call (RPC) APIs. This approach clarifies the overall software architecture and simplifies product code by abstracting away ML internals. However, the separation adds network latency and entails additional CPU overhead. Hence, we simplify inference algorithms and embed them into the product code to reduce network communication. For public datasets and a high-performance real-time platform that deals with tabular data, we show that over half of the inputs are often amenable to such optimization, while the remainder can be handled by the original model. By applying our optimization with AutoML to both training and inference, we reduce inference latency by 1.3x, CPU resources by 30%, and network communication between application front-end and ML back-end by about 50% for a commercial end-to-end ML platform that serves millions of real-time decisions per second.

Large language models show impressive results at predicting structured text such as code, but also commonly introduce errors and hallucinations in their output. When used to assist software developers, these models may make mistakes that users must go back and fix, or worse, introduce subtle bugs that users may miss entirely. We propose Randomized Utility-driven Synthesis of Uncertain REgions (R-U-SURE) , an approach for building uncertainty-aware suggestions based on a decision-theoretic model of goal-conditioned utility, using random samples from a generative model as a proxy for the unobserved possible intents of the end user. Our technique combines minimum-Bayes-risk decoding, dual decomposition, and decision diagrams in order to efficiently produce structured uncertainty summaries, given only sample access to an arbitrary generative model of code and an optional AST parser. We demonstrate R-U-SURE on three developer-assistance tasks, and show that it can be applied different user interaction patterns without retraining the model and leads to more accurate uncertainty estimates than token-probability baselines. We also release our implementation as an open-source library at https://github.com/google-research/r u sure.

Contrastive learning is a powerful framework for learning self-supervised representations that generalize well to downstream supervised tasks. We show that multiple existing contrastive learning methods can be reinterpreted as learning kernel functions that approximate a fixed positive-pair kernel. We then prove that a simple representation obtained by combining this kernel with PCA provably minimizes the worst-case approximation error of linear predictors, under a straightforward assumption that positive pairs have similar labels. Our analysis is based on a decomposition of the target function in terms of the eigenfunctions of a positive-pair Markov chain, and a surprising equivalence between these eigenfunctions and the output of Kernel PCA. We give generalization bounds for downstream linear prediction using our Kernel PCA representation, and show empirically on a set of synthetic tasks that applying Kernel PCA to contrastive learning models can indeed approximately recover the Markov chain eigenfunctions, although the accuracy depends on the kernel parameterization as well as on the augmentation strength.

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python programs suitable for training machine learning models. Our library admits the construction of control-flow graphs, data-flow graphs, and composite ``program graphs'' that combine control-flow, data-flow, syntactic, and lexical information about a program. We present the capabilities and limitations of the library, perform a case study applying the library to millions of competitive programming submissions, and showcase the library's utility for machine learning research.

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. 2021, by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.

Denoising diffusion probabilistic models (DDPMs) have shown impressive results on sequence generation by iteratively corrupting each example and then learning to map corrupted versions back to the original. However, previous work has largely focused on in-place corruption, adding noise to each pixel or token individually while keeping their locations the same. In this work, we consider a broader class of corruption processes and denoising models over sequence data that can insert and delete elements, while still being efficient to train and sample from. We demonstrate that these models outperform standard in-place models on an arithmetic sequence task, and that when trained on the text8 dataset they can be used to fix spelling errors without any fine-tuning.

We present a novel programming language design that attempts to combine the clarity and safety of high-level functional languages with the efficiency and parallelism of low-level numerical languages. We treat arrays as eagerly-memoized functions on typed index sets, allowing abstract function manipulations, such as currying, to work on arrays. In contrast to composing primitive bulk-array operations, we argue for an explicit nested indexing style that mirrors application of functions to arguments. We also introduce a fine-grained typed effects system which affords concise and automatically-parallelized in-place updates. Specifically, an associative accumulation effect allows reverse-mode automatic differentiation of in-place updates in a way that preserves parallelism. Empirically, we benchmark against the Futhark array programming language, and demonstrate that aggressive inlining and type-driven compilation allows array programs to be written in an expressive, pointful style with little performance penalty.

To perform counterfactual reasoning in Structural Causal Models (SCMs), one needs to know the causal mechanisms, which provide factorizations of conditional distributions into noise sources and deterministic functions mapping realizations of noise to samples. Unfortunately, the causal mechanism is not uniquely identified by data that can be gathered by observing and interacting with the world, so there remains the question of how to choose causal mechanisms. In recent work, Oberst Sontag (2019) propose Gumbel-max SCMs, which use Gumbel-max reparameterizations as the causal mechanism due to an intuitively appealing counterfactual stability property. In this work, we instead argue for choosing a causal mechanism that is best under a quantitative criteria such as minimizing variance when estimating counterfactual treatment effects. We propose a parameterized family of causal mechanisms that generalize Gumbel-max. We show that they can be trained to minimize counterfactual effect variance and other losses on a distribution of queries of interest, yielding lower variance estimates of counterfactual treatment effect than fixed alternatives, also generalizing to queries not seen at training time.

Graph-based neural network models are producing strong results in a number of domains, in part because graphs provide flexibility to encode domain knowledge in the form of relational structure (edges) between nodes in the graph. In practice, edges are used both to represent intrinsic structure (e.g., abstract syntax trees of programs) and more abstract relations that aid reasoning for a downstream task (e.g., results of relevant program analyses). In this work, we study the problem of learning to derive abstract relations from the intrinsic graph structure. Motivated by their power in program analyses, we consider relations defined by paths on the base graph accepted by a finite-state automaton. We show how to learn these relations end-to-end by relaxing the problem into learning finite-state automata policies on a graph-based POMDP and then training these policies using implicit differentiation. The result is a differentiable Graph Finite-State Automaton (GFSA) layer that adds a new edge type (expressed as a weighted adjacency matrix) to a base graph. We demonstrate that this layer can find shortcuts in grid-world graphs and reproduce simple static analyses on Python programs. Additionally, we combine the GFSA layer with a larger graph-based model trained end-to-end on the variable misuse program understanding task, and find that using the GFSA layer leads to better performance than using hand-engineered semantic edges or other baseline methods for adding learned edge types.

We present an approach for simultaneously separating and localizing multiple sound sources using recorded microphone data. Inspired by topic models, our approach is based on a probabilistic model of inter-microphone phase differences, and poses separation and localization as a Bayesian inference problem. We assume sound activity is locally smooth across time, frequency, and location, and use the known position of the microphones to obtain a consistent separation. We compare the performance of our method against existing algorithms on simulated anechoic voice data and find that it obtains high performance across a variety of input conditions.

The associahedron is a convex polytope whose 1-skeleton is isomorphic to the flip graph of a convex polygon. There exists an elegant geometric realization of the associahedron, using the remarkable theory of secondary polytopes, based on the geometry of the underlying polygon. We present an interactive application that visualizes this correspondence in the 3D case.

We describe a neural network architecture designed to learn the musical structure of jazz melodies over chord progressions, then to create new melodies over arbitrary chord progressions from the resulting connectome (representation of neural network structure). Our architecture consists of two sub-networks, the interval expert and the chord expert, each being LSTM (long short-term memory) recurrent networks. These two sub-networks jointly learn to predict a probability distribution over future notes conditioned on past notes in the melody. We describe a training procedure for the network and an implementation as part of the opensource Impro-Visor (Improvisation Advisor) application, and demonstrate our method by providing improvised melodies based on a variety of training sets.

We describe a neural network architecture which enables prediction and composition of polyphonic music in a manner that preserves translation-invariance of the dataset. Specifically, we demonstrate training a probabilistic model of polyphonic music using a set of parallel, tied-weight recurrent networks, inspired by the structure of convolutional neural networks. This model is designed to be invariant to transpositions, but otherwise is intentionally given minimal information about the musical domain, and tasked with discovering patterns present in the source dataset. We present two versions of the model, denoted TP-LSTM-NADE and BALSTM, and also give methods for training the network and for generating novel music. This approach attains high performance at a musical prediction task and successfully creates note sequences which possess measure-level musical structure.

Graph-structured data is important in modeling relationships between multiple entities, and can be used to represent states of the world as well as many data structures. Li et al. (2016) describe a model known as a Gated Graph Sequence Neural Network (GGS-NN) that produces sequences from graph-structured input. In this work I introduce the Gated Graph Transformer Neural Network (GGT-NN), an extension of GGS-NNs that uses graph-structured data as an intermediate representation. The model can learn to construct and modify graphs in sophisticated ways based on textual input, and also to use the graphs to produce a variety of outputs. For example, the model successfully learns to solve almost all of the bAbI tasks (Weston et al., 2016), and also discovers the rules governing graphical formulations of a simple cellular automaton and a family of Turing machines.