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Hierarchical structures are popular in recent vision transformers, however, they require sophisticated designs and massive datasets to work well. In this paper, we explore the idea of nesting basic local transformers on non-overlapping image blocks and aggregating them in a hierarchical way. We find that the block aggregation function plays a critical role in enabling cross-block non-local information communication. This observation leads us to design a simplified architecture that requires minor code changes upon the original vision transformer. The benefits of the proposed judiciously-selected design are threefold:  (1) NesT converges faster and requires much less training data to achieve good generalization on both ImageNet and small datasets like CIFAR; (2) when extending our key ideas to image generation, NesT leads to a strong decoder that is 8 times faster than previous transformer-based generators; and (3) we show that decoupling the feature learning and abstraction processes via this nested hierarchy in our design enables constructing a novel method (named GradCAT) for visually interpreting the learned model. Source code is available https://github.com/google-research/nested-transformer.

AAAI 2022

Nested Hierarchical Transformer: Towards Accurate, Data-Efficient and Interpretable Visual Understanding

The purpose of the AAAI conference is to promote research in artificial intelligence (AI) and scientific exchange among AI researchers, practitioners, scientists, and engineers in affiliated disciplines. 

technical paper

Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code and appendix are available at https://yilunzhou.github.io/feature-attribution-evaluation/.

Do Feature Attribution Methods Correctly Attribute Features?

Neural network quantization has become increasingly popular due to efficient memory consumption and faster computation resulting from bitwise operations on the quantized networks. Even though they exhibit excellent generalization capabilities, their robustness properties are not well-understood. In this work, we systematically study the robustness of quantized networks against gradient based adversarial attacks and demonstrate that these quantized models suffer from gradient vanishing issues and show a fake sense of robustness. By attributing gradient vanishing to poor forward-backward signal propagation in the trained network, we introduce a simple temperature scaling approach to mitigate this issue while preserving the decision boundary. Despite being a simple modification to existing gradient based adversarial attacks, experiments on multiple image classification datasets with multiple network architectures demonstrate that our temperature scaled attacks obtain near-perfect success rate on quantized networks while outperforming original attacks on adversarially trained models as well as floating-point networks.

Improved Gradient Based Adversarial Attacks for Quantized Networks

Unsupervised learning is often used to uncover clusters in data. However, different kinds of noise may impede the discovery of useful patterns from real-world time-series data. In this work, we focus on mitigating the interference of interval censoring in the task of clustering for disease phenotyping. We develop a deep generative, continuous-time model of time-series data that clusters time-series while correcting for censorship time. We provide conditions under which clusters and the amount of delayed entry may be identified from data under a noiseless model. On synthetic data, we demonstrate accurate, stable, and interpretable results that outperform several benchmarks. On real-world clinical datasets of heart failure and Parkinson's disease patients, we study how interval censoring can adversely affect the task of disease phenotyping. Our model corrects for this source of error and recovers known clinical subtypes.

Clustering Interval-Censored Time-Series for Disease Phenotyping

In a wide variety of applications including online advertising, contractual hiring, and wireless scheduling, the controller is constrained by a stringent budget constraint on the available resources, which are consumed in a random amount by each action, and a stochastic feasibility constraint that may impose important operational limitations on decision-making. In this work, we consider a general model to address such problems, where each action returns a random reward, cost, and penalty from an unknown joint distribution, and the decision-maker aims to maximize the total reward under a budget constraint B on the total cost and a stochastic constraint on the time-average penalty. We propose a novel low-complexity algorithm based on Lyapunov optimization methodology, named LyOn, and prove that for K arms it achieves square root of KBlog(B) regret and zero constraint-violation when B is sufficiently large. The low computational cost and sharp performance bounds of LyOn suggest that Lyapunov-based algorithm design methodology can be effective in solving constrained bandit optimization problems.

A Lyapunov-Based Methodology for Constrained Optimization with Bandit Feedback

With the abundance of available data, many enterprises seek to implement data-driven prescriptive analytics to help them make informed decisions. These prescriptive policies need to satisfy operational constraints, and proactively eliminate rule conflicts, both of which are ubiquitous in practice. It is also desirable for them to be simple and interpretable, so they can be easily verified and implemented. Existing approaches from the literature center around constructing variants of prescriptive decision trees to generate interpretable policies. However, none of the existing methods is able to handle constraints. In this paper, we propose a scalable method that solves the constrained prescriptive policy generation problem. We introduce a novel path-based mixed-integer program (MIP) formulation which identifies a (near) optimal policy efficiently via column generation. The policy generated can be represented as a multiway-split tree which is more interpretable and informative than binary-split trees due to its shorter rules. We demonstrate the efficacy of our method with extensive computational experiments on both synthetic and real datasets.

Constrained Prescriptive Trees via Column Generation

How to obtain good value estimation is a critical problem in Reinforcement Learning (RL). Current value estimation methods in continuous control, such as DDPG and TD3, suffer from unnecessary over- or under- estimation. In this paper, we explore the potential of double actors, which has been neglected for a long time, for better value estimation in the continuous setting. First, we interestingly find that double actors improve the exploration ability of the agent. Next, we uncover the bias alleviation property of double actors in handling overestimation with single critic, and underestimation with double critics respectively. Finally, to mitigate the potentially pessimistic value estimate in double critics, we propose to regularize the critics under double actors architecture. Together, we present Double Actors Regularized Critics (DARC) algorithm. Extensive experiments on challenging continuous control benchmarks, MuJoCo and PyBullet, show that DARC significantly outperforms current baselines with higher average return and better sample efficiency.

Efficient Continuous Control with Double Actors and Regularized Critics

Universal domain adaptation (UniDA) aims to transfer knowledge learned from a labeled source domain to an unlabeled target domain under domain shift and category shift. Without prior category overlap information, it is challenging to simultaneously align the common categories between two domains and separate their respective private categories. Additionally, previous studies utilize the source classifier's prediction to obtain various known labels and one generic "unknown" label of target samples. However, over-reliance on learned classifier knowledge is inevitably biased to source data, ignoring the intrinsic structure of target domain. Therefore, in this paper, we propose a novel two-stage UniDA framework called MATHS based on the principle of mutual nearest neighbor contrast and hybrid prototype discrimination. In the first stage, we design an efficient mutual nearest neighbor contrastive learning scheme to achieve feature alignment, which exploits the instance-level affinity relationship to uncover the intrinsic structure of two domains. We introduce a bimodality hypothesis for the maximum discriminative probability distribution to detect the possible target private samples, and present a data-based statistical approach to separate the common and private categories. In the second stage, to obtain more reliable label predictions, we propose an incremental pseudo-classifier for target data only, which is driven by the hybrid representative prototypes. A confidence-guided prototype contrastive loss is designed to optimize the category allocation uncertainty via a self-training mechanism. Extensive experiments on three benchmarks demonstrate that MATHS outperforms previous state-of-the-arts on most UniDA settings.

Mutual Nearest Neighbor Contrast and Hybrid Prototype Self-Training for Universal Domain Adaptation

Inferring the causal structure of a set of random variables is a crucial problem in many disciplines of science. Over the past two decades, various approaches have been pro- posed for causal discovery from observational data. How- ever, most of the existing methods are designed for either purely discrete or continuous data, which limit their practical usage. In this paper, we target the problem of causal structure learning from observational mixed-type data. Although there are a few methods that are able to handle mixed-type data, they suffer from restrictions, such as linear assumption and poor scalability. To overcome these weaknesses, we formulate the causal mechanisms via mixed structure equation model and prove its identifiability under mild conditions. A novel locally consistent score, named CVMIC, is proposed for causal directed acyclic graph (DAG) structure learning. Moreover, we propose an efficient conditional independence test, named MRCIT, for mixed-type data, which is used in causal skeleton learning and final pruning to further improve the computational efficiency and precision of our model. Experimental results on both synthetic and real-world data demonstrate that our proposed hybrid model outperforms the other state-of-the-art methods. Our source code is available at https://github.com/DAMO-DI-ML/AAAI2022-HCM.

A Hybrid Causal Structure Learning Algorithm for Mixed-Type Data

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is performed in a small local neighborhood on the input graph, it is inherently incapable to capture long-range dependencies between distance nodes. In addition, when a node has neighbors that belong to different classes, i.e., heterophily, the aggregated messages from them often negatively affect representation learning. To address the two common problems of graph convolution, in this paper, we propose Deformable Graph Convolutional Networks (Deformable GCNs) that adaptively perform convolution in multiple latent spaces and capture short/long-range dependencies between nodes. Separated from node representations (features), our framework simultaneously learns the node positional embeddings (coordinates) to determine the relations between nodes in an end-to-end fashion. Depending on node position, the convolution kernels are deformed by deformation vectors and apply different transformations to its neighbor nodes. Our extensive experiments demonstrate that Deformable GCNs flexibly handles the heterophily and achieve the best performance in node classification tasks on six heterophilic graph datasets. Our code is publicly available at https://github.com/mlvlab/DeformableGCN.

Deformable Graph Convolutional Networks

Transformer-based pre-trained language models like BERT and its variants have recently achieved promising performance in various natural language processing (NLP) tasks. However, the conventional paradigm constructs the backbone by purely stacking the manually designed global self-attention layers, introducing inductive bias and thus leads to sub-optimal. In this work, we make the first attempt to automatically discover novel pre-trained language model (PLM) backbone on a flexible search space containing the most fundamental operations from scratch. Specifically, we propose a well-designed search space which (i) contains primitive math operations in the intra-layer level to explore novel attention structures, and (ii) leverages convolution blocks to be the supplementary for attentions in the inter-layer level to better learn local dependency. To enhance the efficiency for finding promising architectures, we propose an Operation-Priority Neural Architecture Search (OP-NAS) algorithm, which optimizes both the search algorithm and evaluation of candidate models. Specifically, we propose Operation-Priority (OP) evolution strategy to facilitate model search via balancing exploration and exploitation. Furthermore, we design a Bi-branch Weight-Sharing (BIWS) training strategy for fast model evaluation. Extensive experiments show that the searched architecture (named AutoBERT-Zero) significantly outperforms BERT and its variants of different model capacities in various downstream tasks, proving the architecture's transfer and scaling abilities. Remarkably, AutoBERT-Zero-base outperforms RoBERTa-base (using much more data) and BERT-large (with much larger model size) by 2.4 and 1.4 higher score on GLUE test set.

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Do Feature Attribution Methods Correctly Attribute Features?

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Less is More: Pay Less Attention in Vision Transformers

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