Automated Discovery of Pairwise Interactions from Unstructured Data

Pairwise interactions between perturbations to a system can provide evidence for the causal dependencies of the underlying underlying mechanisms of a system. When observations are low dimensional, hand crafted measurements, detecting interactions amounts to simple statistical tests, but it is not obvious how to detect interactions between perturbations affecting latent variables. We derive two interaction tests that are based on pairwise interventions, and show how these tests can be integrated into an active learning pipeline to efficiently discover pairwise interactions between perturbations. We illustrate the value of these tests in the context of biology, where pairwise perturbation experiments are frequently used to reveal interactions that are not observable from any single perturbation. Our tests can be run on unstructured data, such as the pixels in an image, which enables a more general notion of interaction than typical cell viability experiments, and can be run on cheaper experimental assays. We validate on several synthetic and real biological experiments that our tests are able to identify interacting pairs effectively. We evaluate our approach on a real biological experiment where we knocked out 50 pairs of genes and measured the effect with microscopy images. We show that we are able to recover significantly more known biological interactions than random search and standard active learning baselines.

Zero-Shot Object-Centric Representation Learning

The goal of object-centric representation learning is to decompose visual scenes into a structured representation that isolates the entities. Recent successes have shown that object-centric representation learning can be scaled to real-world scenes by utilizing pre-trained self-supervised features. However, so far, object-centric methods have mostly been applied in-distribution, with models trained and evaluated on the same dataset. This is in contrast to the wider trend in machine learning towards general-purpose models directly applicable to unseen data and tasks. Thus, in this work, we study current object-centric methods through the lens of zero-shot generalization by introducing a benchmark comprising eight different synthetic and real-world datasets. We analyze the factors influencing zero-shot performance and find that training on diverse real-world images improves transferability to unseen scenarios. Furthermore, inspired by the success of task-specific fine-tuning in foundation models, we introduce a novel fine-tuning strategy to adapt pre-trained vision encoders for the task of object discovery. We find that the proposed approach results in state-of-the-art performance for unsupervised object discovery, exhibiting strong zero-shot transfer to unseen datasets.

Learning Beyond Pattern Matching? Assaying Mathematical Understanding in LLMs

We are beginning to see progress in language model assisted scientific discovery. Motivated by the use of LLMs as a general scientific assistant, this paper assesses the domain knowledge of LLMs through its understanding of different mathematical skills required to solve problems. In particular, we look at not just what the pre-trained model already knows, but how it learned to learn from information during in-context learning or instruction-tuning through exploiting the complex knowledge structure within mathematics. Motivated by the Neural Tangent Kernel (NTK), we propose \textit{NTKEval} to assess changes in LLM's probability distribution via training on different kinds of math data. Our systematic analysis finds evidence of domain understanding during in-context learning. By contrast, certain instruction-tuning leads to similar performance changes irrespective of training on different data, suggesting a lack of domain understanding across different skills.

Metacognitive Capabilities of LLMs: An Exploration in Mathematical Problem Solving

Metacognitive knowledge refers to humans' intuitive knowledge of their own thinking and reasoning processes. Today's best LLMs clearly possess some reasoning processes. The paper gives evidence that they also have metacognitive knowledge, including ability to name skills and procedures to apply given a task. We explore this primarily in context of math reasoning, developing a prompt-guided interaction procedure to get a powerful LLM to assign sensible skill labels to math questions, followed by having it perform semantic clustering to obtain coarser families of skill labels. These coarse skill labels look interpretable to humans. To validate that these skill labels are meaningful and relevant to the LLM's reasoning processes we perform the following experiments. (a) We ask GPT-4 to assign skill labels to training questions in math datasets GSM8K and MATH. (b) When using an LLM to solve the test questions, we present it with the full list of skill labels and ask it to identify the skill needed. Then it is presented with randomly selected exemplar solved questions associated with that skill label. This improves accuracy on GSM8k and MATH for several strong LLMs, including code-assisted models. The methodology presented is domain-agnostic, even though this article applies it to math problems.

Cycle Consistency Driven Object Discovery

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. Existing approaches have explored slot-based methods utilizing architectural priors or auxiliary information such as depth maps or flow maps to facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. However, reliance on architectural priors introduces unreliability and requires meticulous engineering to identify the correct objects. Likewise, methods relying on auxiliary information are suboptimal as such information is often unavailable for most natural scenes. To address these limitations, we propose a method that explicitly optimizes the constraint that each object in a scene should be mapped to a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. We refer to them as the \textit{cycle-consistency} objectives. By applying these consistency objectives to various existing slot-based object-centric methods, we demonstrate significant enhancements in object-discovery performance. These improvements are consistent across both synthetic and real-world scenes, highlighting the effectiveness and generalizability of the proposed approach. Furthermore, our experiments show that the learned slots from the proposed method exhibit superior suitability for downstream reinforcement learning (RL) tasks.

Representation Learning in Deep RL via Discrete Information Bottleneck

Several self-supervised representation learning methods have been proposed for reinforcement learning (RL) with rich observations. For real-world applications of RL, recovering underlying latent states is crucial, particularly when sensory inputs contain irrelevant and exogenous information. In this work, we study how information bottlenecks can be used to construct latent states efficiently in the presence of task-irrelevant information. We propose architectures that utilize variational and discrete information bottlenecks, coined as RepDIB, to learn structured factorized representations. Exploiting the expressiveness bought by factorized representations, we introduce a simple, yet effective, bottleneck that can be integrated with any existing self-supervised objective for RL. We demonstrate this across several online and offline RL benchmarks, along with a real robot arm task, where we find that compressed representations with RepDIB can lead to strong performance improvements, as the learned bottlenecks help predict only the relevant state while ignoring irrelevant information.

Agent-Controller Representations: Principled Offline RL with Rich Exogenous Information

Learning to control an agent from data collected offline in a rich pixel-based visual observation space is vital for real-world applications of reinforcement learning (RL). A major challenge in this setting is the presence of input information that is hard to model and irrelevant to controlling the agent. This problem has been approached by the theoretical RL community through the lens of exogenous information, i.e, any control-irrelevant information contained in observations. For example, a robot navigating in busy streets needs to ignore irrelevant information, such as other people walking in the background, textures of objects, or birds in the sky. In this paper, we focus on the setting with visually detailed exogenous information, and introduce new offline RL benchmarks offering the ability to study this problem. We find that contemporary representation learning techniques can fail on datasets where the noise is a complex and time dependent process, which is prevalent in practical applications. To address these, we propose to use multi-step inverse models, which have seen a great deal of interest in the RL theory community, to learn Agent-Controller Representations for Offline-RL (ACRO). Despite being simple and requiring no reward, we show theoretically and empirically that the representation created by this objective greatly outperforms baselines.

CNT : A new Algorithm for Leveraging Top-Down Feedback

We propose a novel regularizer for supervised learning called Conditioning on Noisy Targets (CNT). This approach consists in conditioning the model on a noisy version of the target(s) (e.g., actions in imitation learning or labels in classification) at a random noise level (from small to large noise). At inference time, since we do not know the target, we run the network with only noise in place of the noisy target. CNT provides hints through the noisy label (with less noise, we can more easily infer the true target). This give two main benefits: 1) the top-down feedback allows the model to focus on simpler and more digestible sub-problems and 2) rather than learning to solve the task from scratch, the model will first learn to master easy examples (with less noise), while slowly progressing toward harder examples (with more noise).

Guaranteed Discovery of Controllable Latent States with Multi-Step Inverse Models

A person walking along a city street who tries to model all aspects of the world would quickly be overwhelmed by a multitude of shops, cars, and people moving in and out of view, following their own complex and inscrutable dynamics. Exploration and navigation in such an environment is an everyday task, requiring no vast exertion of mental resources. Is it possible to turn this fire hose of sensory information into a minimal latent state which is necessary and sufficient for an agent to successfully act in the world? We formulate this question concretely, and propose the Agent-Controllable State Discovery algorithm (AC-State), which has theoretical guarantees and is practically demonstrated to discover the \textit{minimal controllable latent state} which contains all of the information necessary for controlling the agent, while fully discarding all irrelevant information. This algorithm consists of a multi-step inverse model (predicting actions from distant observations) with an information bottleneck. AC-State enables localization, exploration, and navigation without reward or demonstrations. We demonstrate the discovery of controllable latent state in three domains: localizing a robot arm with distractions (e.g., changing lighting conditions and background), exploring in a maze alongside other agents, and navigating in the Matterport house simulator.

Temporal Latent Bottleneck: Synthesis of Fast and Slow Processing Mechanisms in Sequence Learning

Recurrent neural networks have a strong inductive bias towards learning temporally compressed representations, as the entire history of a sequence is represented by a single vector. By contrast, Transformers have little inductive bias towards learning temporally compressed representations, as they allow for attention over all previously computed elements in a sequence. Having a more compressed representation of a sequence may be beneficial for generalization, as a high-level representation may be more easily re-used and re-purposed and will contain fewer irrelevant details. At the same time, excessive compression of representations comes at the cost of expressiveness. We propose a solution which divides computation into two streams. A slow stream that is recurrent in nature aims to learn a specialized and compressed representation, by forcing chunks of $K$ time steps into a single representation which is divided into multiple vectors. At the same time, a fast stream is parameterized as a Transformer to process chunks consisting of $K$ time-steps conditioned on the information in the slow-stream. In the proposed approach we hope to gain the expressiveness of the Transformer, while encouraging better compression and structuring of representations in the slow stream. We show the benefits of the proposed method in terms of improved sample efficiency and generalization performance as compared to various competitive baselines for visual perception and sequential decision making tasks.