OpenRaiser/Intern-Atlas huggingface dataset:
Hard-Attention for Scalable Image Classification
Venue: Conference NeurIPS 2021
Year: 2021

Can we leverage high-resolution information without the unsustainable quadratic complexity to input scale? We propose Traversal Network (TNet), a novel multi-scale hard-attention architecture, which traverses image scale-space in a top-down fashion, visiting only the most informative image regions along the way. TNet offers an adjustable trade-off between accuracy and complexity, by changing the number of attended image locations. We compare our model against hard-attention baselines on ImageNet, achieving higher accuracy with less resources (FLOPs, processing time and memory). We further test our model on fMoW dataset, where we process satellite images of size up to $896 \times 896$ px, getting up to $2.5$x faster processing compared to baselines operating on the same resolution, while achieving higher accuracy as well. TNet is modular, meaning that most classification models could be adopted as its backbone for feature extraction, making the reported performance gains orthogonal to benefits offered by existing optimized deep models. Finally, hard-attention guarantees a degree of interpretability to our model's predictions, without any extra cost beyond inference. Code is available at $\href{https://github.com/Tpap/TNet}{github.com/Tpap/TNet}$.
MAP Propagation Algorithm: Faster Learning with a Team of Reinforcement Learning Agents
Venue: Conference NeurIPS 2021
Year: 2021

Nearly all state-of-the-art deep learning algorithms rely on error backpropagation, which is generally regarded as biologically implausible. An alternative way of training an artificial neural network is through treating each unit in the network as a reinforcement learning agent, and thus the network is considered as a team of agents. As such, all units can be trained by REINFORCE, a local learning rule modulated by a global signal that is more consistent with biologically observed forms of synaptic plasticity. Although this learning rule follows the gradient of return in expectation, it suffers from high variance and thus the low speed of learning, rendering it impractical to train deep networks. We therefore propose a novel algorithm called MAP propagation to reduce this variance significantly while retaining the local property of the learning rule. Experiments demonstrated that MAP propagation could solve common reinforcement learning tasks at a similar speed to backpropagation when applied to an actor-critic network. Our work thus allows for the broader application of the teams of agents in deep reinforcement learning.
TransGAN: Two Pure Transformers Can Make One Strong GAN, and That Can Scale Up
Venue: Conference NeurIPS 2021
Year: 2021

The recent explosive interest on transformers has suggested their potential to become powerful "universal" models for computer vision tasks, such as classification, detection, and segmentation. While those attempts mainly study the discriminative models, we explore transformers on some more notoriously difficult vision tasks, e.g., generative adversarial networks (GANs). Our goal is to conduct the first pilot study in building a GAN completely free of convolutions, using only pure transformer-based architectures. Our vanilla GAN architecture, dubbed TransGAN, consists of a memory-friendly transformer-based generator that progressively increases feature resolution, and correspondingly a multi-scale discriminator to capture simultaneously semantic contexts and low-level textures. On top of them, we introduce the new module of grid self-attention for alleviating the memory bottleneck further, in order to scale up TransGAN to high-resolution generation. We also develop a unique training recipe including a series of techniques that can mitigate the training instability issues of TransGAN, such as data augmentation, modified normalization, and relative position encoding. Our best architecture achieves highly competitive performance compared to current state-of-the-art GANs using convolutional backbones. Specifically, TransGAN sets new state-of-the-art inception score of 10.43 and FID of 18.28 on STL-10, outperforming StyleGAN-V2. When it comes to higher-resolution (e.g. 256 x 256) generation tasks, such as on CelebA-HQ and LSUN-Church, TransGAN continues to produce diverse visual examples with high fidelity and impressive texture details. In addition, we dive deep into the transformer-based generation models to understand how their behaviors differ from convolutional ones, by visualizing training dynamics. The code is available at https://github.com/VITA-Group/TransGAN.
Data driven semi-supervised learning
Venue: Conference NeurIPS 2021
Year: 2021

We consider a novel data driven approach for designing learning algorithms that can effectively learn with only a small number of labeled examples. This is crucial for modern machine learning applications where labels are scarce or expensive to obtain. We focus on graph-based techniques, where the unlabeled examples are connected in a graph under the implicit assumption that similar nodes likely have similar labels. Over the past decades, several elegant graph-based semi-supervised learning algorithms for how to infer the labels of the unlabeled examples given the graph and a few labeled examples have been proposed. However, the problem of how to create the graph (which impacts the practical usefulness of these methods significantly) has been relegated to domain-specific art and heuristics and no general principles have been proposed. In this work we present a novel data driven approach for learning the graph and provide strong formal guarantees in both the distributional and online learning formalizations. We show how to leverage problem instances coming from an underlying problem domain to learn the graph hyperparameters from commonly used parametric families of graphs that perform well on new instances coming from the same domain. We obtain low regret and efficient algorithms in the online setting, and generalization guarantees in the distributional setting. We also show how to combine several very different similarity metrics and learn multiple hyperparameters, providing general techniques to apply to large classes of problems. We expect some of the tools and techniques we develop along the way to be of interest beyond semi-supervised learning, for data driven algorithms for combinatorial problems more generally.
Physics-Integrated Variational Autoencoders for Robust and Interpretable Generative Modeling
Venue: Conference NeurIPS 2021
Year: 2021

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.
Characterizing the risk of fairwashing
Venue: Conference NeurIPS 2021
Year: 2021

Fairwashing refers to the risk that an unfair black-box model can be explained by a fairer model through post-hoc explanation manipulation. In this paper, we investigate the capability of fairwashing attacks by analyzing their fidelity-unfairness trade-offs. In particular, we show that fairwashed explanation models can generalize beyond the suing group (i.e., data points that are being explained), meaning that a fairwashed explainer can be used to rationalize subsequent unfair decisions of a black-box model. We also demonstrate that fairwashing attacks can transfer across black-box models, meaning that other black-box models can perform fairwashing without explicitly using their predictions. This generalization and transferability of fairwashing attacks imply that their detection will be difficult in practice. Finally, we propose an approach to quantify the risk of fairwashing, which is based on the computation of the range of the unfairness of high-fidelity explainers.
Qimera: Data-free Quantization with Synthetic Boundary Supporting Samples
Venue: Conference NeurIPS 2021
Year: 2021

Model quantization is known as a promising method to compress deep neural networks, especially for inferences on lightweight mobile or edge devices. However, model quantization usually requires access to the original training data to maintain the accuracy of the full-precision models, which is often infeasible in real-world scenarios for security and privacy issues. A popular approach to perform quantization without access to the original data is to use synthetically generated samples, based on batch-normalization statistics or adversarial learning. However, the drawback of such approaches is that they primarily rely on random noise input to the generator to attain diversity of the synthetic samples. We find that this is often insufficient to capture the distribution of the original data, especially around the decision boundaries. To this end, we propose Qimera, a method that uses superposed latent embeddings to generate synthetic boundary supporting samples. For the superposed embeddings to better reflect the original distribution, we also propose using an additional disentanglement mapping layer and extracting information from the full-precision model. The experimental results show that Qimera achieves state-of-the-art performances for various settings on data-free quantization. Code is available at https://github.com/iamkanghyunchoi/qimera.
M-FAC: Efficient Matrix-Free Approximations of Second-Order Information
Venue: Conference NeurIPS 2021
Year: 2021

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension $d$, if the Hessian is given as a sum of $m$ rank-one matrices, using $O(dm^2)$ precomputation, $O(dm)$ cost for computing the IHVP, and query cost $O(m)$ for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost $O(dm + m^2)$ for computing the IHVP and $O(dm + m^3)$ for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].
Anti-Backdoor Learning: Training Clean Models on Poisoned Data
Venue: Conference NeurIPS 2021
Year: 2021

Backdoor attack has emerged as a major security threat to deep neural networks (DNNs). While existing defense methods have demonstrated promising results on detecting or erasing backdoors, it is still not clear whether robust training methods can be devised to prevent the backdoor triggers being injected into the trained model in the first place. In this paper, we introduce the concept of \emph{anti-backdoor learning}, aiming to train \emph{clean} models given backdoor-poisoned data. We frame the overall learning process as a dual-task of learning the \emph{clean} and the \emph{backdoor} portions of data. From this view, we identify two inherent characteristics of backdoor attacks as their weaknesses: 1) the models learn backdoored data much faster than learning with clean data, and the stronger the attack the faster the model converges on backdoored data; 2) the backdoor task is tied to a specific class (the backdoor target class). Based on these two weaknesses, we propose a general learning scheme, Anti-Backdoor Learning (ABL), to automatically prevent backdoor attacks during training. ABL introduces a two-stage \emph{gradient ascent} mechanism for standard training to 1) help isolate backdoor examples at an early training stage, and 2) break the correlation between backdoor examples and the target class at a later training stage. Through extensive experiments on multiple benchmark datasets against 10 state-of-the-art attacks, we empirically show that ABL-trained models on backdoor-poisoned data achieve the same performance as they were trained on purely clean data. Code is available at \url{https://github.com/bboylyg/ABL}.
Stable Neural ODE with Lyapunov-Stable Equilibrium Points for Defending Against Adversarial Attacks
Venue: Conference NeurIPS 2021
Year: 2021

Deep neural networks (DNNs) are well-known to be vulnerable to adversarial attacks, where malicious human-imperceptible perturbations are included in the input to the deep network to fool it into making a wrong classification. Recent studies have demonstrated that neural Ordinary Differential Equations (ODEs) are intrinsically more robust against adversarial attacks compared to vanilla DNNs. In this work, we propose a stable neural ODE with Lyapunov-stable equilibrium points for defending against adversarial attacks (SODEF). By ensuring that the equilibrium points of the ODE solution used as part of SODEF is Lyapunov-stable, the ODE solution for an input with a small perturbation converges to the same solution as the unperturbed input. We provide theoretical results that give insights into the stability of SODEF as well as the choice of regularizers to ensure its stability. Our analysis suggests that our proposed regularizers force the extracted feature points to be within a neighborhood of the Lyapunov-stable equilibrium points of the ODE. SODEF is compatible with many defense methods and can be applied to any neural network's final regressor layer to enhance its stability against adversarial attacks.
Robust Compressed Sensing MRI with Deep Generative Priors
Venue: Conference NeurIPS 2021
Year: 2021

The CSGM framework (Bora-Jalal-Price-Dimakis'17) has shown that deep generative priors can be powerful tools for solving inverse problems. However, to date this framework has been empirically successful only on certain datasets (for example, human faces and MNIST digits), and it is known to perform poorly on out-of-distribution samples. In this paper, we present the first successful application of the CSGM framework on clinical MRI data. We train a generative prior on brain scans from the fastMRI dataset, and show that posterior sampling via Langevin dynamics achieves high quality reconstructions. Furthermore, our experiments and theory show that posterior sampling is robust to changes in the ground-truth distribution and measurement process. Our code and models are available at: \url{https://github.com/utcsilab/csgm-mri-langevin}.
H-NeRF: Neural Radiance Fields for Rendering and Temporal Reconstruction of Humans in Motion
Venue: Conference NeurIPS 2021
Year: 2021

We present neural radiance fields for rendering and temporal (4D) reconstruction of humans in motion (H-NeRF), as captured by a sparse set of cameras or even from a monocular video. Our approach combines ideas from neural scene representation, novel-view synthesis, and implicit statistical geometric human representations, coupled using novel loss functions. Instead of learning a radiance field with a uniform occupancy prior, we constrain it by a structured implicit human body model, represented using signed distance functions. This allows us to robustly fuse information from sparse views and generalize well beyond the poses or views observed in training. Moreover, we apply geometric constraints to co-learn the structure of the observed subject -- including both body and clothing -- and to regularize the radiance field to geometrically plausible solutions. Extensive experiments on multiple datasets demonstrate the robustness and the accuracy of our approach, its generalization capabilities significantly outside a small training set of poses and views, and statistical extrapolation beyond the observed shape.
DOBF: A Deobfuscation Pre-Training Objective for Programming Languages
Venue: Conference NeurIPS 2021
Year: 2021

Recent advances in self-supervised learning have dramatically improved the state of the art on a wide variety of tasks. However, research in language model pre-training has mostly focused on natural languages, and it is unclear whether models like BERT and its variants provide the best pre-training when applied to other modalities, such as source code. In this paper, we introduce a new pre-training objective, DOBF, that leverages the structural aspect of programming languages and pre-trains a model to recover the original version of obfuscated source code. We show that models pre-trained with DOBF significantly outperform existing approaches on multiple downstream tasks, providing relative improvements of up to 13% in unsupervised code translation, and 24% in natural language code search. Incidentally, we found that our pre-trained model is able to de-obfuscate fully obfuscated source files, and to suggest descriptive variable names.
Interventional Sum-Product Networks: Causal Inference with Tractable Probabilistic Models
Venue: Conference NeurIPS 2021
Year: 2021

While probabilistic models are an important tool for studying causality, doing so suffers from the intractability of inference. As a step towards tractable causal models, we consider the problem of learning interventional distributions using sum-product networks (SPNs) that are over-parameterized by gate functions, e.g., neural networks. Providing an arbitrarily intervened causal graph as input, effectively subsuming Pearl's do-operator, the gate function predicts the parameters of the SPN. The resulting interventional SPNs are motivated and illustrated by a structural causal model themed around personal health. Our empirical evaluation on three benchmark data sets as well as a synthetic health data set clearly demonstrates that interventional SPNs indeed are both expressive in modelling and flexible in adapting to the interventions.
Parametric Complexity Bounds for Approximating PDEs with Neural Networks
Venue: Conference NeurIPS 2021
Year: 2021

Recent experiments have shown that deep networks can approximate solutions to high-dimensional PDEs, seemingly escaping the curse of dimensionality. However, questions regarding the theoretical basis for such approximations, including the required network size, remain open. In this paper, we investigate the representational power of neural networks for approximating solutions to linear elliptic PDEs with Dirichlet boundary conditions. We prove that when a PDE's coefficients are representable by small neural networks, the parameters required to approximate its solution scale polynomially with the input dimension $d$ and proportionally to the parameter counts of the coefficient networks. To this we end, we develop a proof technique that simulates gradient descent (in an appropriate Hilbert space) by growing a neural network architecture whose iterates each participate as sub-networks in their (slightly larger) successors, and converge to the solution of the PDE. We bound the size of the solution, showing a polynomial dependence on $d$ and no dependence on the volume of the domain.
Learning-to-learn non-convex piecewise-Lipschitz functions
Venue: Conference NeurIPS 2021
Year: 2021

We analyze the meta-learning of the initialization and step-size of learning algorithms for piecewise-Lipschitz functions, a non-convex setting with applications to both machine learning and algorithms. Starting from recent regret bounds for the exponential forecaster on losses with dispersed discontinuities, we generalize them to be initialization-dependent and then use this result to propose a practical meta-learning procedure that learns both the initialization and the step-size of the algorithm from multiple online learning tasks. Asymptotically, we guarantee that the average regret across tasks scales with a natural notion of task-similarity that measures the amount of overlap between near-optimal regions of different tasks. Finally, we instantiate the method and its guarantee in two important settings: robust meta-learning and multi-task data-driven algorithm design.
Decision Transformer: Reinforcement Learning via Sequence Modeling
Venue: Conference NeurIPS 2021
Year: 2021

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.
Probability Paths and the Structure of Predictions over Time
Venue: Conference NeurIPS 2021
Year: 2021

In settings ranging from weather forecasts to political prognostications to financial projections, probability estimates of future binary outcomes often evolve over time. For example, the estimated likelihood of rain on a specific day changes by the hour as new information becomes available. Given a collection of such probability paths, we introduce a Bayesian framework -- which we call the Gaussian latent information martingale, or GLIM -- for modeling the structure of dynamic predictions over time. Suppose, for example, that the likelihood of rain in a week is 50 %, and consider two hypothetical scenarios. In the first, one expects the forecast to be equally likely to become either 25 % or 75 % tomorrow; in the second, one expects the forecast to stay constant for the next several days. A time-sensitive decision-maker might select a course of action immediately in the latter scenario, but may postpone their decision in the former, knowing that new information is imminent. We model these trajectories by assuming predictions update according to a latent process of information flow, which is inferred from historical data. In contrast to general methods for time series analysis, this approach preserves important properties of probability paths such as the martingale structure and appropriate amount of volatility and better quantifies future uncertainties around probability paths. We show that GLIM outperforms three popular baseline methods, producing better estimated posterior probability path distributions measured by three different metrics. By elucidating the dynamic structure of predictions over time, we hope to help individuals make more informed choices.