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Social Aspects/Accountability, Transparency and Interpretability

Kyosuke Morita

Scope of ReproducibilityThis study aims to reproduce the results of the paper 'FOCUS: Flexible Optimizable Counterfactual Explanations for Tree Ensembles' by Lucic et al.The main claims of the original paper are that FOCUS is able to (i) generate counterfactual explanations for all the instances in a dataset; and (ii) find counterfactual explanations that are closer to the original input for tree-based algorithms than existing methods.MethodologyThis study replicates the original experiments using the code, data, and models provided by the authors. Additionally, this study re-implements code and retrains the models to evaluate the robustness and generality of FOCUS.All the experiments were conducted on a personal laptop with a quad-core CPU with 8GB of RAM and it approximately took 33 hours in total.ResultsThis study was able to replicate the results of the original paper in terms of finding counterfactual explanations for all instances in datasets. Additional experiments were conducted to validate the robustness and generality of the conclusion. While there were slight deviations in terms of generating smaller mean distances, half of the models still outperformed the results of the existing method.What was easyThe implementation of the original paper is publicly available on GitHub. The repository contains the models and data used in the original experiments. Also, the authors provided a technical appendix, which includes all the hyperparameters that were used for the experiments for reproduction upon request.What was difficultAlthough the implementation code was available, it employs outdated packages and the code structure is complex. Also, the comments in the functions and the documentation of the code are sparse or nonexistent, which made it difficult to follow the code.Communication with original authorsI reached out to the authors to obtain the hyperparameters used in the experiments. The authors responded promptly with a detailed technical appendix of the original paper.

Reinforcement Learning/Batch Offline

Anqi Li, Dipendra Misra, Andrey Kolobov, Ching-An Cheng

We present a novel observation about the behavior of offline reinforcement learning (RL) algorithms: on many benchmark datasets, offline RL can produce well-performing and safe policies even when trained with "wrong" reward labels, such as those that are zero everywhere or are negatives of the true rewards. This phenomenon cannot be easily explained by offline RL's return maximization objective. Moreover, it gives offline RL a degree of robustness that is uncharacteristic of its online RL counterparts, which are known to be sensitive to reward design. We demonstrate that this surprising robustness property is attributable to an interplay between the notion of *pessimism* in offline RL algorithms and certain implicit biases in common data collection practices. As we prove in this work, pessimism endows the agent with a *survival instinct*, i.e., an incentive to stay within the data support in the long term, while the limited and biased data coverage further constrains the set of survival policies. Formally, given a reward class -- which may not even contain the true reward -- we identify conditions on the training data distribution that enable offline RL to learn a near-optimal and safe policy from any reward within the class. We argue that the survival instinct should be taken into account when interpreting results from existing offline RL benchmarks and when creating future ones. Our empirical and theoretical results suggest a new paradigm for offline RL, whereby an agent is "nudged" to learn a desirable behavior with imperfect reward but purposely biased data coverage. Please visit our website [https://survival-instinct.github.io](https://survival-instinct.github.io) for accompanied code and videos.

Social Aspects/Accountability, Transparency and Interpretability

Julius Wagenbach, Gergely Papp, Niklas Mather, Laurens de Vries

In this work, we present our reproducibility study of "Label-Free Explainability for Unsupervised Models", a paper that introduces two post‐hoc explanation techniques for neural networks: (1) label‐free feature importance and (2) label‐free example importance. Our study focuses on the reproducibility of the authors’ most important claims: (i) perturbing features with the highest importance scores causes higherlatent shift than perturbing random pixels, (ii) label‐free example importance scores help to identify training examples that are highly related to a given test example, (iii) unsupervised models trained on different tasks show moderate correlation among the highest scored features and (iv) low correlation in example scores measured on a fixed set of data points, and (v) increasing the disentanglement with β in a β‐VAE does not imply that latent units will focus on more different features. We reviewed the authors’ code, checked if the implementation of experiments matched with the paper, and also ran all experiments. The results are shown to be reproducible. Moreover, we extended the codebase in order to run the experiments on more datasets, and to test the claims with other experiments.

Applications/Time Series

Hyun Dong Lee, Andrew Warrington, Joshua Glaser, Scott Linderman

An important problem in time-series analysis is modeling systems with time-varying dynamics. Probabilistic models with joint continuous and discrete latent states offer interpretable, efficient, and experimentally useful descriptions of such data. Commonly used models include autoregressive hidden Markov models (ARHMMs) and switching linear dynamical systems (SLDSs), each with its own advantages and disadvantages. ARHMMs permit exact inference and easy parameter estimation, but are parameter intensive when modeling long dependencies, and hence are prone to overfitting. In contrast, SLDSs can capture long-range dependencies in a parameter efficient way through Markovian latent dynamics, but present an intractable likelihood and a challenging parameter estimation task. In this paper, we propose _switching autoregressive low-rank tensor_ SALT models, which retain the advantages of both approaches while ameliorating the weaknesses. SALT parameterizes the tensor of an ARHMM with a low-rank factorization to control the number of parameters and allow longer range dependencies without overfitting. We prove theoretical and discuss practical connections between SALT, linear dynamical systems, and SLDSs. We empirically demonstrate quantitative advantages of SALT models on a range of simulated and real prediction tasks, including behavioral and neural datasets. Furthermore, the learned low-rank tensor provides novel insights into temporal dependencies within each discrete state.

Deep Learning/Sequential Models, Time series

Owen Queen, Tom Hartvigsen, Teddy Koker, Huan He, Theodoros Tsiligkaridis, Marinka Zitnik

Interpreting time series models is uniquely challenging because it requires identifying both the location of time series signals that drive model predictions and their matching to an interpretable temporal pattern. While explainers from other modalities can be applied to time series, their inductive biases do not transfer well to the inherently challenging interpretation of time series. We present TimeX, a time series consistency model for training explainers. TimeX trains an interpretable surrogate to mimic the behavior of a pretrained time series model. It addresses the issue of model faithfulness by introducing model behavior consistency, a novel formulation that preserves relations in the latent space induced by the pretrained model with relations in the latent space induced by TimeX. TimeX provides discrete attribution maps and, unlike existing interpretability methods, it learns a latent space of explanations that can be used in various ways, such as to provide landmarks to visually aggregate similar explanations and easily recognize temporal patterns. We evaluate TimeX on eight synthetic and real-world datasets and compare its performance against state-of-the-art interpretability methods. We also conduct case studies using physiological time series. Quantitative evaluations demonstrate that TimeX achieves the highest or second-highest performance in every metric compared to baselines across all datasets. Through case studies, we show that the novel components of TimeX show potential for training faithful, interpretable models that capture the behavior of pretrained time series models.

Applications/Neuroscience, Cognitive Science

Zijiao Chen, Jiaxin Qing, Juan Helen Zhou

Reconstructing human vision from brain activities has been an appealing task that helps to understand our cognitive process. Even though recent research has seen great success in reconstructing static images from non-invasive brain recordings, work on recovering continuous visual experiences in the form of videos is limited. In this work, we propose Mind-Video that learns spatiotemporal information from continuous fMRI data of the cerebral cortex progressively through masked brain modeling, multimodal contrastive learning with spatiotemporal attention, and co-training with an augmented Stable Diffusion model that incorporates network temporal inflation. We show that high-quality videos of arbitrary frame rates can be reconstructed with Mind-Video using adversarial guidance. The recovered videos were evaluated with various semantic and pixel-level metrics. We achieved an average accuracy of 85% in semantic classification tasks and 0.19 in structural similarity index (SSIM), outperforming the previous state-of-the-art by 45%. We also show that our model is biologically plausible and interpretable, reflecting established physiological processes.

Probabilistic Methods

Lorenzo Loconte, Nicola Di Mauro, Robert Peharz, Antonio Vergari

Some of the most successful knowledge graph embedding (KGE) models for link prediction – CP, RESCAL, TuckER, ComplEx – can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits – constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design. Furthermore, our models scale more gracefully than the original KGEs on graphs with millions of entities.

Dan Friedman, Alexander Wettig, Danqi Chen

Recent research in mechanistic interpretability has attempted to reverse-engineer Transformer models by carefully inspecting network weights and activations. However, these approaches require considerable manual effort and still fall short of providing complete, faithful descriptions of the underlying algorithms. In this work, we introduce a procedure for training Transformers that are mechanistically interpretable by design. We build on RASP [Weiss et al., 2021], a programming language that can be compiled into Transformer weights. Instead of compiling human-written programs into Transformers, we design a modified Transformer that can be trained using gradient-based optimization and then automatically converted into a discrete, human-readable program. We refer to these models as Transformer Programs. To validate our approach, we learn Transformer Programs for a variety of problems, including an in-context learning task, a suite of algorithmic problems (e.g. sorting, recognizing Dyck languages), and NLP tasks including named entity recognition and text classification. The Transformer Programs can automatically find reasonable solutions, performing on par with standard Transformers of comparable size; and, more importantly, they are easy to interpret. To demonstrate these advantages, we convert Transformers into Python programs and use off-the-shelf code analysis tools to debug model errors and identify the “circuits” used to solve different sub-problems. We hope that Transformer Programs open a new path toward the goal of intrinsically interpretable machine learning.

Alicia Curth, Alan Jeffares, Mihaela van der Schaar

Conventional statistical wisdom established a well-understood relationship between model complexity and prediction error, typically presented as a _U-shaped curve_ reflecting a transition between under- and overfitting regimes. However, motivated by the success of overparametrized neural networks, recent influential work has suggested this theory to be generally incomplete, introducing an additional regime that exhibits a second descent in test error as the parameter count $p$ grows past sample size $n$ -- a phenomenon dubbed _double descent_. While most attention has naturally been given to the deep-learning setting, double descent was shown to emerge more generally across non-neural models: known cases include _linear regression, trees, and boosting_. In this work, we take a closer look at the evidence surrounding these more classical statistical machine learning methods and challenge the claim that observed cases of double descent truly extend the limits of a traditional U-shaped complexity-generalization curve therein. We show that once careful consideration is given to _what is being plotted_ on the x-axes of their double descent plots, it becomes apparent that there are implicitly multiple, distinct complexity axes along which the parameter count grows. We demonstrate that the second descent appears exactly (and _only_) when and where the transition between these underlying axes occurs, and that its location is thus _not_ inherently tied to the interpolation threshold $p=n$. We then gain further insight by adopting a classical nonparametric statistics perspective. We interpret the investigated methods as _smoothers_ and propose a generalized measure for the _effective_ number of parameters they use _on unseen examples_, using which we find that their apparent double descent curves do indeed fold back into more traditional convex shapes -- providing a resolution to the ostensible tension between double descent and traditional statistical intuition.

Social Aspects/Accountability, Transparency and Interpretability

Kirill Bykov, Laura Kopf, Shinichi Nakajima, Marius Kloft, Marina Höhne

Deep Neural Networks (DNNs) demonstrate remarkable capabilities in learning complex hierarchical data representations, but the nature of these representations remains largely unknown. Existing global explainability methods, such as Network Dissection, face limitations such as reliance on segmentation masks, lack of statistical significance testing, and high computational demands. We propose Inverse Recognition (INVERT), a scalable approach for connecting learned representations with human-understandable concepts by leveraging their capacity to discriminate between these concepts. In contrast to prior work, INVERT is capable of handling diverse types of neurons, exhibits less computational complexity, and does not rely on the availability of segmentation masks. Moreover, INVERT provides an interpretable metric assessing the alignment between the representation and its corresponding explanation and delivering a measure of statistical significance. We demonstrate the applicability of INVERT in various scenarios, including the identification of representations affected by spurious correlations, and the interpretation of the hierarchical structure of decision-making within the models.

Optimization/Discrete and Combinatorial Optimization

Nathaniel Lahn, Sharath Raghvendra, Kaiyi Zhang

Optimal Transport is a popular distance metric for measuring similarity between distributions. Exact and approximate combinatorial algorithms for computing the optimal transport distance are hard to parallelize. This has motivated the development of numerical solvers (e.g. Sinkhorn method) that can exploit GPU parallelism and produce approximate solutions. We introduce the first parallel combinatorial algorithm to find an additive $\varepsilon$-approximation of the OT distance. The parallel complexity of our algorithm is $O(\log(n)/ \varepsilon^2)$ where $n$ is the total support size for the input distributions. In Massive Parallel Computation (MPC) frameworks such as Hadoop and MapReduce, our algorithm computes an $\varepsilon$-approximate transport plan in $O(\log (\log (n/\varepsilon))/\varepsilon^2)$ rounds with $O(n/\varepsilon)$ space per machine; all prior algorithms in the MPC framework take $\Omega(\log n)$ rounds. We also provide a GPU-friendly matrix-based interpretation of our algorithm where each step of the algorithm is row or column manipulation of the matrix. Experiments suggest that our combinatorial algorithm is faster than the state-of-the-art approximate solvers in the GPU, especially for higher values of $n$.

Miscellaneous Aspects of Machine Learning/Representation Learning

ABHRA CHAUDHURI, Massimiliano Mancini, Zeynep Akata, Anjan Dutta

Recent advances in fine-grained representation learning leverage local-to-global (emergent) relationships for achieving state-of-the-art results. The relational representations relied upon by such methods, however, are abstract. We aim to deconstruct this abstraction by expressing them as interpretable graphs over image views. We begin by theoretically showing that abstract relational representations are nothing but a way of recovering transitive relationships among local views. Based on this, we design Transitivity Recovering Decompositions (TRD), a graph-space search algorithm that identifies interpretable equivalents of abstract emergent relationships at both instance and class levels, and with no post-hoc computations. We additionally show that TRD is provably robust to noisy views, with empirical evidence also supporting this finding. The latter allows TRD to perform at par or even better than the state-of-the-art, while being fully interpretable. Implementation is available at https://github.com/abhrac/trd.

Optimization/Stochastic

Mher Safaryan, Alexandra Peste, Dan Alistarh

Knowledge distillation is a popular approach for enhancing the performance of "student" models, with lower representational capacity, by taking advantage of more powerful "teacher" models. Despite its apparent simplicity, the underlying mechanics behind knowledge distillation (KD) are not yet fully understood. In this work, we shed new light on the inner workings of this method, by examining it from an optimization perspective. Specifically, we show that, in the context of linear and deep linear models, KD can be interpreted as a novel type of stochastic variance reduction mechanism. We provide a detailed convergence analysis of the resulting dynamics, which hold under standard assumptions for both strongly-convex and non-convex losses, showing that KD acts as a form of \emph{partial variance reduction}, which can reduce the stochastic gradient noise, but may not eliminate it completely, depending on the properties of the ``teacher'' model. Our analysis puts further emphasis on the need for careful parametrization of KD, in particular w.r.t. the weighting of the distillation loss, and is validated empirically on both linear models and deep neural networks.

Miscellaneous Aspects of Machine Learning/Supervised Learning

Yufei CUI, Ziquan Liu, Yixin Chen, Yuchen Lu, Xinyue Yu, Xue (Steve) Liu, Tei-Wei Kuo, Miguel Rodrigues, Chun Jason Xue, Antoni Chan

Multiple Instance Learning (MIL) is a crucial weakly supervised learning method applied across various domains, e.g., medical diagnosis based on whole slide images (WSIs). Recent advancements in MIL algorithms have yielded exceptional performance when the training and test data originate from the same domain, such as WSIs obtained from the same hospital. However, this paper reveals a performance deterioration of MIL models when tested on an out-of-domain test set, exemplified by WSIs sourced from a novel hospital. To address this challenge, this paper introduces the Retrieval-AugMented MIL (RAM-MIL) framework, which integrates Optimal Transport (OT) as the distance metric for nearest neighbor retrieval. The development of RAM-MIL is driven by two key insights. First, a theoretical discovery indicates that reducing the input's intrinsic dimension can minimize the approximation error in attention-based MIL. Second, previous studies highlight a link between input intrinsic dimension and the feature merging process with the retrieved data. Empirical evaluations conducted on WSI classification demonstrate that the proposed RAM-MIL framework achieves state-of-the-art performance in both in-domain scenarios, where the training and retrieval data are in the same domain, and more crucially, in out-of-domain scenarios, where the (unlabeled) retrieval data originates from a different domain. Furthermore, the use of the transportation matrix derived from OT renders the retrieval results interpretable at the instance level, in contrast to the vanilla $l_2$ distance, and allows for visualization for human experts. *Code can be found at \url{https://github.com/ralphc1212/ram-mil*.

Social Aspects/Accountability, Transparency and Interpretability

Zelei Cheng, Xian Wu, Jiahao Yu, Wenhai Sun, Wenbo Guo, Xinyu Xing

Despite the promising performance of deep reinforcement learning (DRL) agents in many challenging scenarios, the black-box nature of these agents greatly limits their applications in critical domains. Prior research has proposed several explanation techniques to understand the deep learning-based policies in RL. Most existing methods explain why an agent takes individual actions rather than pinpointing the critical steps to its final reward. To fill this gap, we propose StateMask, a novel method to identify the states most critical to the agent's final reward. The high-level idea of StateMask is to learn a mask net that blinds a target agent and forces it to take random actions at some steps without compromising the agent's performance. Through careful design, we can theoretically ensure that the masked agent performs similarly to the original agent. We evaluate StateMask in various popular RL environments and show its superiority over existing explainers in explanation fidelity. We also show that StateMask has better utilities, such as launching adversarial attacks and patching policy errors.

Social Aspects/Accountability, Transparency and Interpretability

Dongrui Liu, Huiqi Deng, Xu Cheng, Qihan Ren, Kangrui Wang, Quanshi Zhang

This paper theoretically explains the intuition that simple concepts are more likely to be learned by deep neural networks (DNNs) than complex concepts. In fact, recent studies have observed [24, 15] and proved [26] the emergence of interactive concepts in a DNN, i.e., it is proven that a DNN usually only encodes a small number of interactive concepts, and can be considered to use their interaction effects to compute inference scores. Each interactive concept is encoded by the DNN to represent the collaboration between a set of input variables. Therefore, in this study, we aim to theoretically explain that interactive concepts involving more input variables (i.e., more complex concepts) are more difficult to learn. Our finding clarifies the exact conceptual complexity that boosts the learning difficulty.

Deep Learning/Graph Neural Networks

Jun Yin, Chaozhuo Li, Hao Yan, Jianxun Lian, Senzhang Wang

Intrinsic interpretable graph neural networks aim to provide transparent predictions by identifying the influential fraction of the input graph that guides the model prediction, i.e., the explanatory subgraph. However, current interpretable GNNs mostly are dataset-specific and hard to generalize to different graphs. A more generalizable GNN interpretation model which can effectively distill the universal structural patterns of different graphs is until-now unexplored. Motivated by the great success of recent pre-training techniques, we for the first time propose the Pre-training Interpretable Graph Neural Network ($\pi$-GNN) to distill the universal interpretability of GNNs by pre-training over synthetic graphs with ground-truth explanations. Specifically, we introduce a structural pattern learning module to extract diverse universal structure patterns and integrate them together to comprehensively represent the graphs of different types. Next, a hypergraph refining module is proposed to identify the explanatory subgraph by incorporating the universal structure patterns with local edge interactions. Finally, the task-specific predictor is cascaded with the pre-trained $\pi$-GNN model and fine-tuned over downstream tasks. Extensive experiments demonstrate that $\pi$-GNN significantly surpasses the leading interpretable GNN baselines with up to 9.98\% interpretation improvement and 16.06\% classification accuracy improvement. Meanwhile, $\pi$-GNN pre-trained on graph classification task also achieves the top-tier interpretation performance on node classification task, which further verifies its promising generalization performance among different downstream tasks. Our code and datasets are available at https://anonymous.4open.science/r/PI-GNN-F86C

Deep Learning/Algorithms

Du Phan, Matthew Douglas Hoffman, David Dohan, Sholto Douglas, Tuan Anh Le, Aaron Parisi, Pavel Sountsov, Charles Sutton, Sharad Vikram, Rif A. Saurous

Large language models (LLMs) solve problems more accurately and interpretably when instructed to work out the answer step by step using a "chain-of-thought" (CoT) prompt. One can also improve LLMs' performance on a specific task by supervised fine-tuning, i.e., by using gradient ascent on some tunable parameters to maximize the average log-likelihood of correct answers from a labeled training set. Naively combining CoT with supervised tuning requires supervision not just of the correct answers, but also of detailed rationales that lead to those answers; these rationales are expensive to produce by hand. Instead, we propose a fine-tuning strategy that tries to maximize the \emph{marginal} log-likelihood of generating a correct answer using CoT prompting, approximately averaging over all possible rationales. The core challenge is sampling from the posterior over rationales conditioned on the correct answer; we address it using a simple Markov-chain Monte Carlo (MCMC) expectation-maximization (EM) algorithm inspired by the self-taught reasoner (STaR), memoized wake-sleep, Markovian score climbing, and persistent contrastive divergence. This algorithm also admits a novel control-variate technique that drives the variance of our gradient estimates to zero as the model improves. Applying our technique to GSM8K and the tasks in BIG-Bench Hard, we find that this MCMC-EM fine-tuning technique typically improves the model's accuracy on held-out examples more than STaR or prompt-tuning with or without CoT.

Miscellaneous Aspects of Machine Learning/Representation Learning

Yaodong Yu, Sam Buchanan, Druv Pai, Tianzhe Chu, Ziyang Wu, Shengbang Tong, Benjamin Haeffele, Yi Ma

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https://github.com/Ma-Lab-Berkeley/CRATE.

Social Aspects/Accountability, Transparency and Interpretability

Francesco Giannini, Stefano Fioravanti, Oguzhan Keskin, Alisia Lupidi, Lucie Charlotte Magister, Pietro Lió, Pietro Barbiero

The rise of Artificial Intelligence (AI) recently empowered researchers to investigate hard mathematical problems which eluded traditional approaches for decades. Yet, the use of AI in Universal Algebra (UA)---one of the fields laying the foundations of modern mathematics---is still completely unexplored. This work proposes the first use of AI to investigate UA's conjectures with an equivalent equational and topological characterization. While topological representations would enable the analysis of such properties using graph neural networks, the limited transparency and brittle explainability of these models hinder their straightforward use to empirically validate existing conjectures or to formulate new ones. To bridge these gaps, we propose a general algorithm generating AI-ready datasets based on UA's conjectures, and introduce a novel neural layer to build fully interpretable graph networks. The results of our experiments demonstrate that interpretable graph networks: (i) enhance interpretability without sacrificing task accuracy, (ii) strongly generalize when predicting universal algebra's properties, (iii) generate simple explanations that empirically validate existing conjectures, and (iv) identify subgraphs suggesting the formulation of novel conjectures.