Kieran A. Murphy

Kieran A. Murphy, Shameen Shrestha

Feature attribution methods explain predictions by assigning importance scores to input features. Path-based methods such as Integrated Gradients are especially appealing because they satisfy \textit{completeness}: attributions sum to the change in model output between a reference state and the input. Yet most path methods define this trajectory in input space, explaining a model through pointwise perturbed inputs along a chosen path. An input-space path integrates the model's raw response at each point it passes through, with no control over the resolution at which a feature is queried; the early, baseline-adjacent part of the trajectory contributes to the explanation on equal footing with the input itself. Here, we lift path attribution from input space to a space of structured probe distributions around the example of interest, and call our method Reveal-IG. Rather than traversing raw input values, Reveal-IG progressively reveals information about the input and attributes changes in the model's expected output along this distributional path. The result is a path-attribution framework that retains completeness with respect to the expected model response, and naturally accommodates multiscale image probes and feature-wise uncertainty in tabular data. Synthetic diagnostics show that Reveal-IG avoids path artifacts that affect input-space methods, and across ImageNet classification and tabular regression it produces stable, signed attributions -- leading on metrics that use attribution sign while remaining competitive on the rest.

Kieran A. Murphy, Dani S. Bassett

The fruits of science are relationships made comprehensible, often by way of approximation. While deep learning is an extremely powerful way to find relationships in data, its use in science has been hindered by the difficulty of understanding the learned relationships. The Information Bottleneck (IB) is an information theoretic framework for understanding a relationship between an input and an output in terms of a trade-off between the fidelity and complexity of approximations to the relationship. Here we show that a crucial modification -- distributing bottlenecks across multiple components of the input -- opens fundamentally new avenues for interpretable deep learning in science. The Distributed Information Bottleneck throttles the downstream complexity of interactions between the components of the input, deconstructing a relationship into meaningful approximations found through deep learning without requiring custom-made datasets or neural network architectures. Applied to a complex system, the approximations illuminate aspects of the system's nature by restricting -- and monitoring -- the information about different components incorporated into the approximation. We demonstrate the Distributed IB's explanatory utility in systems drawn from applied mathematics and condensed matter physics. In the former, we deconstruct a Boolean circuit into approximations that isolate the most informative subsets of input components without requiring exhaustive search. In the latter, we localize information about future plastic rearrangement in the static structure of a sheared glass, and find the information to be more or less diffuse depending on the system's preparation. By way of a principled scheme of approximations, the Distributed IB brings much-needed interpretability to deep learning and enables unprecedented analysis of information flow through a system.

Shubhankar P. Patankar, Mathieu Ouellet, Juan Cervino et al.

Intrinsically motivated exploration has proven useful for reinforcement learning, even without additional extrinsic rewards. When the environment is naturally represented as a graph, how to guide exploration best remains an open question. In this work, we propose a novel approach for exploring graph-structured data motivated by two theories of human curiosity: the information gap theory and the compression progress theory. The theories view curiosity as an intrinsic motivation to optimize for topological features of subgraphs induced by nodes visited in the environment. We use these proposed features as rewards for graph neural-network-based reinforcement learning. On multiple classes of synthetically generated graphs, we find that trained agents generalize to longer exploratory walks and larger environments than are seen during training. Our method computes more efficiently than the greedy evaluation of the relevant topological properties. The proposed intrinsic motivations bear particular relevance for recommender systems. We demonstrate that next-node recommendations considering curiosity are more predictive of human choices than PageRank centrality in several real-world graph environments.

Kieran A. Murphy, Dani S. Bassett

One of the fundamental steps toward understanding a complex system is identifying variation at the scale of the system's components that is most relevant to behavior on a macroscopic scale. Mutual information provides a natural means of linking variation across scales of a system due to its independence of functional relationship between observables. However, characterizing the manner in which information is distributed across a set of observables is computationally challenging and generally infeasible beyond a handful of measurements. Here we propose a practical and general methodology that uses machine learning to decompose the information contained in a set of measurements by jointly optimizing a lossy compression of each measurement. Guided by the distributed information bottleneck as a learning objective, the information decomposition identifies the variation in the measurements of the system state most relevant to specified macroscale behavior. We focus our analysis on two paradigmatic complex systems: a Boolean circuit and an amorphous material undergoing plastic deformation. In both examples, the large amount of entropy of the system state is decomposed, bit by bit, in terms of what is most related to macroscale behavior. The identification of meaningful variation in data, with the full generality brought by information theory, is made practical for studying the connection between micro- and macroscale structure in complex systems.

Kieran A. Murphy, Dani S. Bassett

Deterministic chaos permits a precise notion of a "perfect measurement" as one that, when obtained repeatedly, captures all of the information created by the system's evolution with minimal redundancy. Finding an optimal measurement is challenging, and has generally required intimate knowledge of the dynamics in the few cases where it has been done. We establish an equivalence between a perfect measurement and a variant of the information bottleneck. As a consequence, we can employ machine learning to optimize measurement processes that efficiently extract information from trajectory data. We obtain approximately optimal measurements for multiple chaotic maps and lay the necessary groundwork for efficient information extraction from general time series.

Kieran A. Murphy, Dani S. Bassett

Interpretability is a pressing issue for machine learning. Common approaches to interpretable machine learning constrain interactions between features of the input, rendering the effects of those features on a model's output comprehensible but at the expense of model complexity. We approach interpretability from a new angle: constrain the information about the features without restricting the complexity of the model. Borrowing from information theory, we use the Distributed Information Bottleneck to find optimal compressions of each feature that maximally preserve information about the output. The learned information allocation, by feature and by feature value, provides rich opportunities for interpretation, particularly in problems with many features and complex feature interactions. The central object of analysis is not a single trained model, but rather a spectrum of models serving as approximations that leverage variable amounts of information about the inputs. Information is allocated to features by their relevance to the output, thereby solving the problem of feature selection by constructing a learned continuum of feature inclusion-to-exclusion. The optimal compression of each feature -- at every stage of approximation -- allows fine-grained inspection of the distinctions among feature values that are most impactful for prediction. We develop a framework for extracting insight from the spectrum of approximate models and demonstrate its utility on a range of tabular datasets.

Kieran A. Murphy

We propose InfoChess, a symmetric adversarial game that elevates competitive information acquisition to the primary objective. There is no piece capture, removing material incentives that would otherwise confound the role of information. Instead, pieces are used to alter visibility. Players are scored on their probabilistic inference of the opponent's king location over the duration of the game. To explore the space of strategies for playing InfoChess, we introduce a hierarchy of heuristic agents defined by increasing levels of opponent modeling, and train a reinforcement learning agent that outperforms these baselines. Leveraging the discrete structure of the game, we analyze gameplay through natural information-theoretic characterizations that include belief entropy, oracle cross entropy, and predictive log score under the action-induced observation channel. These measures disentangle epistemic uncertainty, calibration mismatch, and uncertainty induced by adversarial movement. The design of InfoChess renders it a testbed for studying multi-agent inference under partial observability. We release code for the environment and agents, and a public interface to encourage further study.

Kieran A. Murphy, Dani S. Bassett

A hallmark of chaotic dynamics is the loss of information with time. Although information loss is often expressed through a connection to Lyapunov exponents -- valid in the limit of high information about the system state -- this picture misses the rich spectrum of information decay across different levels of granularity. Here we show how machine learning presents new opportunities for the study of information loss in chaotic dynamics, with a double pendulum serving as a model system. We use the Information Bottleneck as a training objective for a neural network to extract information from the state of the system that is optimally predictive of the future state after a prescribed time horizon. We then decompose the optimally predictive information by distributing a bottleneck to each state variable, recovering the relative importance of the variables in determining future evolution. The framework we develop is broadly applicable to chaotic systems and pragmatic to apply, leveraging data and machine learning to monitor the limits of predictability and map out the loss of information.

Kieran A. Murphy, Zhuowen Yin, Dani S. Bassett

Whether the system under study is a shoal of fish, a collection of neurons, or a set of interacting atmospheric and oceanic processes, transfer entropy measures the flow of information between time series and can detect possible causal relationships. Much like mutual information, transfer entropy is generally reported as a single value summarizing an amount of shared variation, yet a more fine-grained accounting might illuminate much about the processes under study. Here we propose to decompose transfer entropy and localize the bits of variation on both sides of information flow: that of the originating process's past and that of the receiving process's future. We employ the information bottleneck (IB) to compress the time series and identify the transferred entropy. We apply our method to decompose the transfer entropy in several synthetic recurrent processes and an experimental mouse dataset of concurrent behavioral and neural activity. Our approach highlights the nuanced dynamics within information flow, laying a foundation for future explorations into the intricate interplay of temporal processes in complex systems.

Kieran A. Murphy

We make the information transmitted by attention an explicit, measurable quantity in vision transformers. By inserting variational information bottlenecks on all attention-mediated writes to the residual stream -- without other architectural changes -- we train models with an explicit information cost and obtain a controllable spectrum from independent patch processing to fully expressive global attention. On ImageNet-100, we characterize how classification behavior and information routing evolve across this spectrum, and provide initial insights into how global visual representations emerge from local patch processing by analyzing the first attention heads that transmit information. By biasing learning toward solutions with constrained internal communication, our approach yields models that are more tractable for mechanistic analysis and more amenable to control.

Kieran A. Murphy, Yujing Zhang, Dani S. Bassett

Multivariate information theory provides a general and principled framework for understanding how the components of a complex system are connected. Existing analyses are coarse in nature -- built up from characterizations of discrete subsystems -- and can be computationally prohibitive. In this work, we propose to study the continuous space of possible descriptions of a composite system as a window into its organizational structure. A description consists of specific information conveyed about each of the components, and the space of possible descriptions is equivalent to the space of lossy compression schemes of the components. We introduce a machine learning framework to optimize descriptions that extremize key information theoretic quantities used to characterize organization, such as total correlation and O-information. Through case studies on spin systems, sudoku boards, and letter sequences from natural language, we identify extremal descriptions that reveal how system-wide variation emerges from individual components. By integrating machine learning into a fine-grained information theoretic analysis of composite random variables, our framework opens a new avenues for probing the structure of real-world complex systems.

Kieran A. Murphy, Varun Jampani, Srikumar Ramalingam et al.

Representational learning forms the backbone of most deep learning applications, and the value of a learned representation is intimately tied to its information content regarding different factors of variation. Finding good representations depends on the nature of supervision and the learning algorithm. We propose a novel algorithm that utilizes a weak form of supervision where the data is partitioned into sets according to certain inactive (common) factors of variation which are invariant across elements of each set. Our key insight is that by seeking correspondence between elements of different sets, we learn strong representations that exclude the inactive factors of variation and isolate the active factors that vary within all sets. As a consequence of focusing on the active factors, our method can leverage a mix of set-supervised and wholly unsupervised data, which can even belong to a different domain. We tackle the challenging problem of synthetic-to-real object pose transfer, without pose annotations on anything, by isolating pose information which generalizes to the category level and across the synthetic/real domain gap. The method can also boost performance in supervised settings, by strengthening intermediate representations, as well as operate in practically attainable scenarios with set-supervised natural images, where quantity is limited and nuisance factors of variation are more plentiful.