String Diagrams with Factorized Densities

A growing body of research on probabilistic programs and causal models has highlighted the need to reason compositionally about model classes that extend directed graphical models. Both probabilistic programs and causal models define a joint probability density over a set of random variables, and exhibit sparse structure that can be used to reason about causation and conditional independence. This work builds on recent work on Markov categories of probabilistic mappings to define a category whose morphisms combine a joint density, factorized over each sample space, with a deterministic mapping from samples to return values. This is a step towards closing the gap between recent category-theoretic descriptions of probability measures, and the operational definitions of factorized densities that are commonly employed in probabilistic programming and causal inference.

CHiLL: Zero-shot Custom Interpretable Feature Extraction from Clinical Notes with Large Language Models

Large Language Models (LLMs) have yielded fast and dramatic progress in NLP, and now offer strong few- and zero-shot capabilities on new tasks, reducing the need for annotation. This is especially exciting for the medical domain, in which supervision is often scant and expensive. At the same time, model predictions are rarely so accurate that they can be trusted blindly. Clinicians therefore tend to favor "interpretable" classifiers over opaque LLMs. For example, risk prediction tools are often linear models defined over manually crafted predictors that must be laboriously extracted from EHRs. We propose CHiLL (Crafting High-Level Latents), which uses LLMs to permit natural language specification of high-level features for linear models via zero-shot feature extraction using expert-composed queries. This approach has the promise to empower physicians to use their domain expertise to craft features which are clinically meaningful for a downstream task of interest, without having to manually extract these from raw EHR (as often done now). We are motivated by a real-world risk prediction task, but as a reproducible proxy, we use MIMIC-III and MIMIC-CXR data and standard predictive tasks (e.g., 30-day readmission) to evaluate our approach. We find that linear models using automatically extracted features are comparably performant to models using reference features, and provide greater interpretability than linear models using "Bag-of-Words" features. We verify that learned feature weights align well with clinical expectations.

Verified Reversible Programming for Verified Lossless Compression

Lossless compression implementations typically contain two programs, an encoder and a decoder, which are required to be inverse to one another. Maintaining consistency between two such programs during development requires care, and incorrect data decoding can be costly and difficult to debug. We observe that a significant class of compression methods, based on asymmetric numeral systems (ANS), have shared structure between the encoder and decoder -- the decoder program is the 'reverse' of the encoder program -- allowing both to be simultaneously specified by a single, reversible, 'codec' function. To exploit this, we have implemented a small reversible language, embedded in Agda, which we call 'Flipper'. Agda supports formal verification of program properties, and the compiler for our reversible language (which is implemented as an Agda macro), produces not just an encoder/decoder pair of functions but also a proof that they are inverse to one another. Thus users of the language get formal verification 'for free'. We give a small example use-case of Flipper in this paper, and plan to publish a full compression implementation soon.

A Variational Perspective on Generative Flow Networks

Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow matching or trajectory balance objective, which matches forward and backward transition models over trajectories. In this work, we define variational objectives for GFNs in terms of the Kullback-Leibler (KL) divergences between the forward and backward distribution. We show that variational inference in GFNs is equivalent to minimizing the trajectory balance objective when sampling trajectories from the forward model. We generalize this approach by optimizing a convex combination of the reverse- and forward KL divergence. This insight suggests variational inference methods can serve as a means to define a more general family of objectives for training generative flow networks, for example by incorporating control variates, which are commonly used in variational inference, to reduce the variance of the gradients of the trajectory balance objective. We evaluate our findings and the performance of the proposed variational objective numerically by comparing it to the trajectory balance objective on two synthetic tasks.

That's the Wrong Lung! Evaluating and Improving the Interpretability of Unsupervised Multimodal Encoders for Medical Data

Pretraining multimodal models on Electronic Health Records (EHRs) provides a means of learning representations that can transfer to downstream tasks with minimal supervision. Recent multimodal models induce soft local alignments between image regions and sentences. This is of particular interest in the medical domain, where alignments might highlight regions in an image relevant to specific phenomena described in free-text. While past work has suggested that attention "heatmaps" can be interpreted in this manner, there has been little evaluation of such alignments. We compare alignments from a state-of-the-art multimodal (image and text) model for EHR with human annotations that link image regions to sentences. Our main finding is that the text has an often weak or unintuitive influence on attention; alignments do not consistently reflect basic anatomical information. Moreover, synthetic modifications -- such as substituting "left" for "right" -- do not substantially influence highlights. Simple techniques such as allowing the model to opt out of attending to the image and few-shot finetuning show promise in terms of their ability to improve alignments with very little or no supervision.

Deriving time-averaged active inference from control principles

Active inference offers a principled account of behavior as minimizing average sensory surprise over time. Applications of active inference to control problems have heretofore tended to focus on finite-horizon or discounted-surprise problems, despite deriving from the infinite-horizon, average-surprise imperative of the free-energy principle. Here we derive an infinite-horizon, average-surprise formulation of active inference from optimal control principles. Our formulation returns to the roots of active inference in neuroanatomy and neurophysiology, formally reconnecting active inference to optimal feedback control. Our formulation provides a unified objective functional for sensorimotor control and allows for reference states to vary over time.

Binding Actions to Objects in World Models

We study the problem of binding actions to objects in object-factored world models using action-attention mechanisms. We propose two attention mechanisms for binding actions to objects, soft attention and hard attention, which we evaluate in the context of structured world models for five environments. Our experiments show that hard attention helps contrastively-trained structured world models to learn to separate individual objects in an object-based grid-world environment. Further, we show that soft attention increases performance of factored world models trained on a robotic manipulation task. The learned action attention weights can be used to interpret the factored world model as the attention focuses on the manipulated object in the environment.

Factored World Models for Zero-Shot Generalization in Robotic Manipulation

World models for environments with many objects face a combinatorial explosion of states: as the number of objects increases, the number of possible arrangements grows exponentially. In this paper, we learn to generalize over robotic pick-and-place tasks using object-factored world models, which combat the combinatorial explosion by ensuring that predictions are equivariant to permutations of objects. Previous object-factored models were limited either by their inability to model actions, or by their inability to plan for complex manipulation tasks. We build on recent contrastive methods for training object-factored world models, which we extend to model continuous robot actions and to accurately predict the physics of robotic pick-and-place. To do so, we use a residual stack of graph neural networks that receive action information at multiple levels in both their node and edge neural networks. Crucially, our learned model can make predictions about tasks not represented in the training data. That is, we demonstrate successful zero-shot generalization to novel tasks, with only a minor decrease in model performance. Moreover, we show that an ensemble of our models can be used to plan for tasks involving up to 12 pick and place actions using heuristic search. We also demonstrate transfer to a physical robot.

Beyond Simple Meta-Learning: Multi-Purpose Models for Multi-Domain, Active and Continual Few-Shot Learning

Modern deep learning requires large-scale extensively labelled datasets for training. Few-shot learning aims to alleviate this issue by learning effectively from few labelled examples. In previously proposed few-shot visual classifiers, it is assumed that the feature manifold, where classifier decisions are made, has uncorrelated feature dimensions and uniform feature variance. In this work, we focus on addressing the limitations arising from this assumption by proposing a variance-sensitive class of models that operates in a low-label regime. The first method, Simple CNAPS, employs a hierarchically regularized Mahalanobis-distance based classifier combined with a state of the art neural adaptive feature extractor to achieve strong performance on Meta-Dataset, mini-ImageNet and tiered-ImageNet benchmarks. We further extend this approach to a transductive learning setting, proposing Transductive CNAPS. This transductive method combines a soft k-means parameter refinement procedure with a two-step task encoder to achieve improved test-time classification accuracy using unlabelled data. Transductive CNAPS achieves state of the art performance on Meta-Dataset. Finally, we explore the use of our methods (Simple and Transductive) for "out of the box" continual and active learning. Extensive experiments on large scale benchmarks illustrate robustness and versatility of this, relatively speaking, simple class of models. All trained model checkpoints and corresponding source codes have been made publicly available.

Conjugate Energy-Based Models

In this paper, we propose conjugate energy-based models (CEBMs), a new class of energy-based models that define a joint density over data and latent variables. The joint density of a CEBM decomposes into an intractable distribution over data and a tractable posterior over latent variables. CEBMs have similar use cases as variational autoencoders, in the sense that they learn an unsupervised mapping from data to latent variables. However, these models omit a generator network, which allows them to learn more flexible notions of similarity between data points. Our experiments demonstrate that conjugate EBMs achieve competitive results in terms of image modelling, predictive power of latent space, and out-of-domain detection on a variety of datasets.