论文检索

Theory/Online Learning and Bandits

Mufang Ying, Koulik Khamaru, Cun-Hui Zhang

Sequential data collection has emerged as a widely adopted technique for enhancing the efficiency of data gathering processes. Despite its advantages, such data collection mechanism often introduces complexities to the statistical inference procedure. For instance, the ordinary least squares (OLS) estimator in an adaptive linear regression model can exhibit non-normal asymptotic behavior, posing challenges for accurate inference and interpretation. In this paper, we propose a general method for constructing debiased estimator which remedies this issue. It makes use of the idea of adaptive linear estimating equations, and we establish theoretical guarantees of asymptotic normality, supplemented by discussions on achieving near-optimal asymptotic variance. A salient feature of our estimator is that in the context of multi-armed bandits, our estimator retains the non-asymptotic performance of the least squares estimator while obtaining asymptotic normality property. Consequently, this work helps connect two fruitful paradigms of adaptive inference: a) non-asymptotic inference using concentration inequalities and b) asymptotic inference via asymptotic normality.

Miscellaneous Aspects of Machine Learning/Everything Else

Wei Chen, Zichen Miao, Qiang Qiu

Analyzing representational similarity among neural networks (NNs) is essential for interpreting or transferring deep models. In application scenarios where numerous NN models are learned, it becomes crucial to assess model similarities in computationally efficient ways. In this paper, we propose a new paradigm for reducing NN representational similarity to filter subspace distance. Specifically, when convolutional filters are decomposed as a linear combination of a set of filter subspace elements, denoted as filter atoms, and have those decomposed atom coefficients shared across networks, NN representational similarity can be significantly simplified as calculating the cosine distance among respective filter atoms, to achieve millions of times computation reduction over popular probing-based methods. We provide both theoretical and empirical evidence that such simplified filter subspace-based similarity preserves a strong linear correlation with other popular probing-based metrics, while being significantly more efficient to obtain and robust to probing data. We further validate the effectiveness of the proposed method in various application scenarios where numerous models exist, such as federated and continual learning as well as analyzing training dynamics. We hope our findings can help further explorations of real-time large-scale representational similarity analysis in neural networks.

Applications/Computer Vision

Sarah Hooper, Mayee Chen, Khaled Saab, Kush Bhatia, Curtis Langlotz, Christopher Ré

Image classification and segmentation are common applications of deep learning to radiology. While many tasks can be framed using either classification or segmentation, classification has historically been cheaper to label and more widely used. However, recent work has drastically reduced the cost of training segmentation networks. In light of this recent work, we reexamine the choice of training classification vs. segmentation models. First, we use an information theoretic approach to analyze why segmentation vs. classification models may achieve different performance on the same dataset and overarching task. We then implement multiple methods for using segmentation models to classify medical images, which we call *segmentation-for-classification*, and compare these methods against traditional classification on three retrospective datasets. We use our analysis and experiments to summarize the benefits of switching from segmentation to classification, including: improved sample efficiency, enabling improved performance with fewer labeled images (up to an order of magnitude lower), on low-prevalence classes, and on certain rare subgroups (up to 161.1\% improved recall); improved robustness to spurious correlations (up to 44.8\% improved robust AUROC); and improved model interpretability, evaluation, and error analysis.

Applications/Time Series

Zelin Ni, Hang Yu, Shizhan Liu, Jianguo Li, Weiyao Lin

Bases have become an integral part of modern deep learning-based models for time series forecasting due to their ability to act as feature extractors or future references. To be effective, a basis must be tailored to the specific set of time series data and exhibit distinct correlation with each time series within the set. However, current state-of-the-art methods are limited in their ability to satisfy both of these requirements simultaneously. To address this challenge, we propose BasisFormer, an end-to-end time series forecasting architecture that leverages learnable and interpretable bases. This architecture comprises three components: First, we acquire bases through adaptive self-supervised learning, which treats the historical and future sections of the time series as two distinct views and employs contrastive learning. Next, we design a Coef module that calculates the similarity coefficients between the time series and bases in the historical view via bidirectional cross-attention. Finally, we present a Forecast module that selects and consolidates the bases in the future view based on the similarity coefficients, resulting in accurate future predictions. Through extensive experiments on six datasets, we demonstrate that BasisFormer outperforms previous state-of-the-art methods by 11.04% and 15.78% respectively for univariate and multivariate forecasting tasks. Code isavailable at: https://github.com/nzl5116190/Basisformer.

Social Aspects/Accountability, Transparency and Interpretability

Avani Gupta, Saurabh Saini, P J Narayanan

Humans use abstract *concepts* for understanding instead of hard features. Recent interpretability research has focused on human-centered concept explanations of neural networks. Concept Activation Vectors (CAVs) estimate a model's sensitivity and possible biases to a given concept. We extend CAVs from post-hoc analysis to ante-hoc training to reduce model bias through fine-tuning using an additional *Concept Loss*. Concepts are defined on the final layer of the network in the past. We generalize it to intermediate layers, including the last convolution layer. We also introduce *Concept Distillation*, a method to define rich and effective concepts using a pre-trained knowledgeable model as the teacher. Our method can sensitize or desensitize a model towards concepts. We show applications of concept-sensitive training to debias several classification problems. We also show a way to induce prior knowledge into a reconstruction problem. We show that concept-sensitive training can improve model interpretability, reduce biases, and induce prior knowledge.

Deep Learning/Graph Neural Networks

Zixing Song, Yifei Zhang, Irwin King

Graph Neural Networks (GNNs) are crucial for machine learning applications with graph-structured data, but their success depends on sufficient labeled data. We present a novel active learning (AL) method for GNNs, extending the Expected Model Change Maximization (EMCM) principle to improve prediction performance on unlabeled data. By presenting a Bayesian interpretation for the node embeddings generated by GNNs under the semi-supervised setting, we efficiently compute the closed-form EMCM acquisition function as the selection criterion for AL without re-training. Our method establishes a direct connection with expected prediction error minimization, offering theoretical guarantees for AL performance. Experiments demonstrate our method's effectiveness compared to existing approaches, in terms of both accuracy and efficiency.

Deep Learning/Generative Models and Autoencoders

Mohammad Jalali, Cheuk Ting Li, Farzan Farnia

The evaluation of generative models has received significant attention in the machine learning community. When applied to a multi-modal distribution which is common among image datasets, an intuitive evaluation criterion is the number of modes captured by the generative model. While several scores have been proposed to evaluate the quality and diversity of a model's generated data, the correspondence between existing scores and the number of modes in the distribution is unclear. In this work, we propose an information-theoretic diversity evaluation method for multi-modal underlying distributions. We utilize the R\'enyi Kernel Entropy (RKE) as an evaluation score based on quantum information theory to measure the number of modes in generated samples. To interpret the proposed evaluation method, we show that the RKE score can output the number of modes of a mixture of sub-Gaussian components. We also prove estimation error bounds for estimating the RKE score from limited data, suggesting a fast convergence of the empirical RKE score to the score for the underlying data distribution. Utilizing the RKE score, we conduct an extensive evaluation of state-of-the-art generative models over standard image datasets. The numerical results indicate that while the recent algorithms for training generative models manage to improve the mode-based diversity over the earlier architectures, they remain incapable of capturing the full diversity of real data. Our empirical results provide a ranking of widely-used generative models based on the RKE score of their generated samples.

Deep Learning/Self-Supervised Learning

Qi Zhang, Yifei Wang, Yisen Wang

Existing contrastive learning methods rely on pairwise sample contrast $z_x^\top z_{x'}$ to learn data representations, but the learned features often lack clear interpretability from a human perspective. Theoretically, it lacks feature identifiability and different initialization may lead to totally different features. In this paper, we study a new method named tri-factor contrastive learning (triCL) that involves a 3-factor contrast in the form of $z_x^\top S z_{x'}$, where $S=\text{diag}(s_1,\dots,s_k)$ is a learnable diagonal matrix that automatically captures the importance of each feature. We show that by this simple extension, triCL can not only obtain identifiable features that eliminate randomness but also obtain more interpretable features that are ordered according to the importance matrix $S$. We show that features with high importance have nice interpretability by capturing common classwise features, and obtain superior performance when evaluated for image retrieval using a few features. The proposed triCL objective is general and can be applied to different contrastive learning methods like SimCLR and CLIP. We believe that it is a better alternative to existing 2-factor contrastive learning by improving its identifiability and interpretability with minimal overhead. Code is available at https://github.com/PKU-ML/Tri-factor-Contrastive-Learning.

Applications/Computer Vision

Zixing Lei, Yiming Zhang, Yuxin Xiong, Siheng Chen

Vision-based emergent communication (EC) aims to learn to communicate through sketches and demystify the evolution of human communication. Ironically, previous works neglect multi-round interaction, which is indispensable in human communication. To fill this gap, we first introduce a novel Interactive Sketch Question Answering (ISQA) task, where two collaborative players are interacting through sketches to answer a question about an image. To accomplish this task, we design a new and efficient interactive EC system, which can achieve an effective balance among three evaluation factors, including the question answering accuracy, drawing complexity and human interpretability. Our experimental results demonstrate that multi-round interactive mechanism facilitates tar- geted and efficient communication between intelligent agents. The code will be released.

Deep Learning/Algorithms

Zifan Wang, Saranya Vijayakumar, Kaiji Lu, Vijay Ganesh, Somesh Jha, Matt Fredrikson

Recent techniques that integrate solver layers into Deep Neural Networks (DNNs) have shown promise in bridging a long-standing gap between inductive learning and symbolic reasoning techniques. In this paper we present a set of techniques for integrating Satisfiability Modulo Theories (SMT) solvers into the forward and backward passes of a deep network layer, called SMTLayer.Using this approach, one can encode rich domain knowledge into the network in the form of mathematical formulas.In the forward pass, the solver uses symbols produced by prior layers, along with these formulas, to construct inferences; in the backward pass, the solver informs updates to the network, driving it towards representations that are compatible with the solver's theory.Notably, the solver need not be differentiable. We implement SMTLayer as a Pytorch module, and our empirical results show that it leads to models that 1) require fewer training samples than conventional models, 2) that are robust to certain types of covariate shift, and 3) that ultimately learn representations that are consistent with symbolic knowledge, and thus naturally interpretable.

Probabilistic Methods/Graphical Models

Henry C Bendekgey, Gabe Hope, Erik Sudderth

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models, and flexible likelihoods for high-dimensional data from deep learning, but poses substantial optimization challenges. We propose novel algorithms for learning SVAEs, and are the first to demonstrate the SVAE's ability to handle multimodal uncertainty when data is missing by incorporating discrete latent variables. Our memory-efficient implicit differentiation scheme makes the SVAE tractable to learn via gradient descent, while demonstrating robustness to incomplete optimization. To more rapidly learn accurate graphical model parameters, we derive a method for computing natural gradients without manual derivations, which avoids biases found in prior work. These optimization innovations enable the first comparisons of the SVAE to state-of-the-art time series models, where the SVAE performs competitively while learning interpretable and structured discrete data representations.

Applications/Computer Vision

Liunian Li, Zi-Yi Dou, Nanyun Peng, Kai-Wei Chang

Recent development in vision-language approaches has instigated a paradigm shift in learning visual recognition models from language supervision. These approaches align objects with language queries (e.g. "a photo of a cat") and thus improve the models' adaptability to novel objects and domains. Recent studies have attempted to query these models with complex language expressions that include specifications of fine-grained details, such as colors, shapes, and relations. However, simply incorporating language descriptions into queries does not guarantee accurate interpretation by the models. In fact, our experiments show that GLIP, a state-of-the-art vision-language model for object detection, often disregards contextual information in the language descriptions and instead relies heavily on detecting objects solely by their names. To tackle the challenge, we propose a new description-conditioned (DesCo) paradigm of learning object recognition models with rich language descriptions consisting of two innovations: 1) we employ a large language model as a commonsense knowledge engine to generate rich language descriptions of objects; 2) we design context-sensitive queries to improve the model's ability in deciphering intricate nuances embedded within descriptions and enforce the model to focus on context rather than object names alone. On two novel object detection benchmarks, LVIS and OminiLabel, under the zero-shot detection setting, our approach achieves 34.8 APr minival (+9.1) and 29.3 AP (+3.6), respectively, surpassing the prior state-of-the-art models, GLIP and FIBER, by a large margin.

Deep Learning/Graph Neural Networks

Yixin Liu, Kaize Ding, Qinghua Lu, Fuyi Li, Leo Yu Zhang, Shirui Pan

Graph-level anomaly detection (GLAD) aims to identify graphs that exhibit notable dissimilarity compared to the majority in a collection. However, current works primarily focus on evaluating graph-level abnormality while failing to provide meaningful explanations for the predictions, which largely limits their reliability and application scope. In this paper, we investigate a new challenging problem, explainable GLAD, where the learning objective is to predict the abnormality of each graph sample with corresponding explanations, i.e., the vital subgraph that leads to the predictions. To address this challenging problem, we propose a Self-Interpretable Graph aNomaly dETection model (SIGNET for short) that detects anomalous graphs as well as generates informative explanations simultaneously. Specifically, we first introduce the multi-view subgraph information bottleneck (MSIB) framework, serving as the design basis of our self-interpretable GLAD approach. This way SIGNET is able to not only measure the abnormality of each graph based on cross-view mutual information but also provide informative graph rationales by extracting bottleneck subgraphs from the input graph and its dual hypergraph in a self-supervised way. Extensive experiments on 16 datasets demonstrate the anomaly detection capability and self-interpretability of SIGNET.

Applications/Language, Speech and Dialog

Noah Hollmann, Samuel Müller, Frank Hutter

As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems.We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features.Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature.CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our [code](url{https://github.com/automl/CAAFE), a simple [demo](url{https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a) and a [python package](url{https://pypi.org/project/caafe/).

Social Aspects/Accountability, Transparency and Interpretability

Hao Sun, Boris van Breugel, Jonathan Crabbé, Nabeel Seedat, Mihaela van der Schaar

Uncertainty quantification (UQ) is essential for creating trustworthy machine learning models. Recent years have seen a steep rise in UQ methods that can flag suspicious examples, however, it is often unclear what exactly these methods identify. In this work, we propose a framework for categorizing uncertain examples flagged by UQ methods. We introduce the confusion density matrix---a kernel-based approximation of the misclassification density---and use this to categorize suspicious examples identified by a given uncertainty method into three classes: out-of-distribution (OOD) examples, boundary (Bnd) examples, and examples in regions of high in-distribution misclassification (IDM). Through extensive experiments, we show that our framework provides a new and distinct perspective for assessing differences between uncertainty quantification methods, thereby forming a valuable assessment benchmark.

Social Aspects/Accountability, Transparency and Interpretability

Stella Biderman, USVSN PRASHANTH, Lintang Sutawika, Hailey Schoelkopf, Quentin Anthony, Shivanshu Purohit, Edward Raff

Memorization, or the tendency of large language models (LLMs) to output entire sequences from their training data verbatim, is a key concern for deploying language models. In particular, it is vital to minimize a model's memorization of sensitive datapoints such as those containing personal identifiable information (PII). The prevalence of such undesirable memorization can pose issues for model trainers, and may even require discarding an otherwise functional model. We therefore seek to predict which sequences will be memorized before a large model's full train-time by extrapolating the memorization behavior of lower-compute trial runs. We measure memorization in the Pythia model suite and plot scaling laws for forecasting memorization, allowing us to provide equi-compute recommendations to maximize the reliability (recall) of such predictions. We additionally provide further novel discoveries on the distribution of memorization scores across models and data. We release all code and data necessary to reproduce the results in this paper at https://github.com/EleutherAI/pythia.

Reinforcement Learning

Chenran Li, Chen Tang, Haruki Nishimura, Jean Mercat, Masayoshi TOMIZUKA, Wei Zhan

Imitation Learning (IL) is a widely used framework for learning imitative behavior from demonstrations. It is especially appealing for solving complex real-world tasks where handcrafting reward function is difficult, or when the goal is to mimic human expert behavior. However, the learned imitative policy can only follow the behavior in the demonstration. When applying the imitative policy, we may need to customize the policy behavior to meet different requirements coming from diverse downstream tasks. Meanwhile, we still want the customized policy to maintain its imitative nature. To this end, we formulate a new problem setting called policy customization. It defines the learning task as training a policy that inherits the characteristics of the prior policy while satisfying some additional requirements imposed by a target downstream task. We propose a novel and principled approach to interpret and determine the trade-off between the two task objectives. Specifically, we formulate the customization problem as a Markov Decision Process (MDP) with a reward function that combines 1) the inherent reward of the demonstration; and 2) the add-on reward specified by the downstream task. We propose a novel framework, Residual Q-learning, which can solve the formulated MDP by leveraging the prior policy without knowing the inherent reward or value function of the prior policy. We derive a family of residual Q-learning algorithms that can realize offline and online policy customization, and show that the proposed algorithms can effectively accomplish policy customization tasks in various environments. Demo videos and code are available on our website: https://sites.google.com/view/residualq-learning.

Probabilistic Methods/Monte Carlo and Sampling Methods

Yuling Yao, Justin Domke

To check the accuracy of Bayesian computations, it is common to use rank-based simulation-based calibration (SBC). However, SBC has drawbacks: The test statistic is somewhat ad-hoc, interactions are difficult to examine, multiple testing is a challenge, and the resulting p-value is not a divergence metric. We propose to replace the marginal rank test with a flexible classification approach that learns test statistics from data. This measure typically has a higher statistical power than the SBC test and returns an interpretable divergence measure of miscalibration, computed from classification accuracy. This approach can be used with different data generating processes to address simulation-based inference or traditional inference methods like Markov chain Monte Carlo or variational inference. We illustrate an automated implementation using neural networks and statistically-inspired features, and validate the method with numerical and real data experiments.

Social Aspects/Trustworthy Machine Learning

Meshi Bashari, Amir Epstein, Yaniv Romano, Matteo Sesia

Conformal inference provides a general distribution-free method to rigorously calibrate the output of any machine learning algorithm for novelty detection. While this approach has many strengths, it has the limitation of being randomized, in the sense that it may lead to different results when analyzing twice the same data and this can hinder the interpretation of any findings. We propose to make conformal inferences more stable by leveraging suitable conformal e-values instead of p-values to quantify statistical significance. This solution allows the evidence gathered from multiple analyses of the same data to be aggregated effectively while provably controlling the false discovery rate. Further, we show that the proposed method can reduce randomness without much loss of power compared to standard conformal inference, partly thanks to an innovative way of weighting conformal e-values based on additional side information carefully extracted from the same data. Simulations with synthetic and real data confirm this solution can be effective at eliminating random noise in the inferences obtained with state-of-the-art alternative techniques, sometimes also leading to higher power.

Miscellaneous Aspects of Machine Learning/Representation Learning

Emanuele Marconato, Stefano Teso, Antonio Vergari, Andrea Passerini

Neuro-Symbolic (NeSy) predictive models hold the promise of improved compliance with given constraints, systematic generalization, and interpretability, as they allow to infer labels that are consistent with some prior knowledge by reasoning over high-level concepts extracted from sub-symbolic inputs. It was recently shown that NeSy predictors are affected by *reasoning shortcuts*: they can attain high accuracy but by leveraging concepts with \textit{unintended semantics}, thus coming short of their promised advantages. Yet, a systematic characterization of reasoning shortcuts and of potential mitigation strategies is missing. This work fills this gap by characterizing them as unintended optima of the learning objective and identifying four key conditions behind their occurrence. Based on this, we derive several natural mitigation strategies, and analyze their efficacy both theoretically and empirically. Our analysis shows reasoning shortcuts are difficult to deal with, casting doubts on the trustworthiness and interpretability of existing NeSy solutions.