mtybilly/Instruct2DS huggingface dataset:
Towards Robust Bisimulation Metric Learning
Authors: Tristan Aumentado-Armstrong Mete Kemertas
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Learned representations in deep reinforcement learning (DRL) have to extract task-relevant information from complex observations, balancing between robustness to distraction and informativeness to the policy. Such stable and rich representations, often learned via modern function approximation techniques, can enable practical application of the policy improvement theorem, even in high-dimensional continuous state-action spaces. Bisimulation metrics offer one solution to this representation learning problem, by collapsing functionally similar states together in representation space, which promotes invariance to noise and distractors. In this work, we generalize value function approximation bounds for on-policy bisimulation metrics to non-optimal policies and approximate environment dynamics. Our theoretical results help us identify embedding pathologies that may occur in practical use. In particular, we find that these issues stem from an underconstrained dynamics model and an unstable dependence of the embedding norm on the reward signal in environments with sparse rewards. Further, we propose a set of practical remedies: (i) a norm constraint on the representation space, and (ii) an extension of prior approaches with intrinsic rewards and latent space regularization. Finally, we provide evidence that the resulting method is not only more robust to sparse reward functions, but also able to solve challenging continuous control tasks with observational distractions, where prior methods fail.
Beyond BatchNorm: Towards a Unified Understanding of Normalization in Deep Learning
Authors: Robert Dick, Hidenori Tanaka Ekdeep S Lubana
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Inspired by BatchNorm, there has been an explosion of normalization layers in deep learning. Recent works have identified a multitude of beneficial properties in BatchNorm to explain its success. However, given the pursuit of alternative normalization layers, these properties need to be generalized so that any given layer's success/failure can be accurately predicted. In this work, we take a first step towards this goal by extending known properties of BatchNorm in randomly initialized deep neural networks (DNNs) to several recently proposed normalization layers. Our primary findings follow: (i) similar to BatchNorm, activations-based normalization layers can prevent exponential growth of activations in ResNets, but parametric techniques require explicit remedies; (ii) use of GroupNorm can ensure an informative forward propagation, with different samples being assigned dissimilar activations, but increasing group size results in increasingly indistinguishable activations for different samples, explaining slow convergence speed in models with LayerNorm; and (iii) small group sizes result in large gradient norm in earlier layers, hence explaining training instability issues in Instance Normalization and illustrating a speed-stability tradeoff in GroupNorm. Overall, our analysis reveals a unified set of mechanisms that underpin the success of normalization methods in deep learning, providing us with a compass to systematically explore the vast design space of DNN normalization layers.
Representation Learning Beyond Linear Prediction Functions
Authors: Ambuj Tewari Ziping Xu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent papers on the theory of representation learning has shown the importance of a quantity called diversity when generalizing from a set of source tasks to a target task. Most of these papers assume that the function mapping shared representations to predictions is linear, for both source and target tasks. In practice, researchers in deep learning use different numbers of extra layers following the pretrained model based on the difficulty of the new task. This motivates us to ask whether diversity can be achieved when source tasks and the target task use different prediction function spaces beyond linear functions. We show that diversity holds even if the target task uses a neural network with multiple layers, as long as source tasks use linear functions. If source tasks use nonlinear prediction functions, we provide a negative result by showing that depth-1 neural networks with ReLu activation function need exponentially many source tasks to achieve diversity. For a general function class, we find that eluder dimension gives a lower bound on the number of tasks required for diversity. Our theoretical results imply that simpler tasks generalize better. Though our theoretical results are shown for the global minimizer of empirical risks, their qualitative predictions still hold true for gradient-based optimization algorithms as verified by our simulations on deep neural networks.
Volume Rendering of Neural Implicit Surfaces
Authors: Jiatao Gu, Yoni Kasten, Yaron Lipman Lior Yariv
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction.The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering.Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.
MAUVE: Measuring the Gap Between Neural Text and Human Text using Divergence Frontiers
Authors: Swabha Swayamdipta, Rowan Zellers, John Thickstun, Sean Welleck, Yejin Choi, Zaid Harchaoui Krishna Pillutla
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: As major progress is made in open-ended text generation, measuring how close machine-generated text is to human language remains a critical open problem. We introduce Mauve, a comparison measure for open-ended text generation, which directly compares the learnt distribution from a text generation model to the distribution of human-written text using divergence frontiers. Mauve scales up to modern text generation models by computing information divergences in a quantized embedding space. Through an extensive empirical study on three open-ended generation tasks, we find that Mauve identifies known properties of generated text, scales naturally with model size, and correlates with human judgments, with fewer restrictions than existing distributional evaluation metrics.
Accurately Solving Rod Dynamics with Graph Learning
Authors: Tassilo Kugelstadt, Torsten Hädrich, Wojtek Palubicki, Jan Bender, Soeren Pirk, Dominik L Michels Han Shao
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Iterative solvers are widely used to accurately simulate physical systems. These solvers require initial guesses to generate a sequence of improving approximate solutions. In this contribution, we introduce a novel method to accelerate iterative solvers for rod dynamics with graph networks (GNs) by predicting the initial guesses to reduce the number of iterations. Unlike existing methods that aim to learn physical systems in an end-to-end manner, our approach guarantees long-term stability and therefore leads to more accurate solutions. Furthermore, our method improves the run time performance of traditional iterative solvers for rod dynamics. To explore our method we make use of position-based dynamics (PBD) as a common solver for physical systems and evaluate it by simulating the dynamics of elastic rods. Our approach is able to generalize across different initial conditions, discretizations, and realistic material properties. We demonstrate that it also performs well when taking discontinuous effects into account such as collisions between individual rods. Finally, to illustrate the scalability of our approach, we simulate complex 3D tree models composed of over a thousand individual branch segments swaying in wind fields.
Limiting fluctuation and trajectorial stability of multilayer neural networks with mean field training
Authors: Phan-Minh Nguyen Huy Tuan Pham
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The mean field theory of multilayer neural networks centers around a particular infinite-width scaling, in which the learning dynamics is shown to be closely tracked by the mean field limit. A random fluctuation around this infinite-width limit is expected from a large-width expansion to the next order. This fluctuation has been studied only in the case of shallow networks, where previous works employ heavily technical notions or additional formulation ideas amenable only to that case. Treatment of the multilayer case has been missing, with the chief difficulty in finding a formulation that must capture the stochastic dependency across not only time but also depth.In this work, we initiate the study of the fluctuation in the case of multilayer networks, at any network depth. Leveraging on the neuronal embedding framework recently introduced by Nguyen and Pham, we systematically derive a system of dynamical equations, called the second-order mean field limit, that captures the limiting fluctuation distribution. We demonstrate through the framework the complex interaction among neurons in this second-order mean field limit, the stochasticity with cross-layer dependency and the nonlinear time evolution inherent in the limiting fluctuation. A limit theorem is proven to relate quantitatively this limit to the fluctuation realized by large-width networks.We apply the result to show a stability property of gradient descent mean field training: in the large-width regime, along the training trajectory, it progressively biases towards a solution with "minimal fluctuation" (in fact, vanishing fluctuation) in the learned output function, even after the network has been initialized at or has converged (sufficiently fast) to a global optimum. This extends a similar phenomenon previously shown only for shallow networks with a squared loss in the empirical risk minimization setting, to multilayer networks with a loss function that is not necessarily convex in a more general setting.
Medical Dead-ends and Learning to Identify High-Risk States and Treatments
Authors: Taylor W Killian, Jayakumar Subramanian, Marzyeh Ghassemi Mehdi Fatemi
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Machine learning has successfully framed many sequential decision making problems as either supervised prediction, or optimal decision-making policy identification via reinforcement learning. In data-constrained offline settings, both approaches may fail as they assume fully optimal behavior or rely on exploring alternatives that may not exist. We introduce an inherently different approach that identifies "dead-ends" of a state space. We focus on patient condition in the intensive care unit, where a "medical dead-end" indicates that a patient will expire, regardless of all potential future treatment sequences. We postulate "treatment security" as avoiding treatments with probability proportional to their chance of leading to dead-ends, present a formal proof, and frame discovery as an RL problem. We then train three independent deep neural models for automated state construction, dead-end discovery and confirmation. Our empirical results discover that dead-ends exist in real clinical data among septic patients, and further reveal gaps between secure treatments and those administered.
Overcoming the Convex Barrier for Simplex Inputs
Authors: M. Pawan Kumar, Philip Torr, Krishnamurthy Dvijotham Harkirat Singh Behl
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent progress in neural network verification has challenged the notion of a convex barrier, that is, an inherent weakness in the convex relaxation of the output of a neural network. Specifically, there now exists a tight relaxation for verifying the robustness of a neural network to $\ell_\infty$ input perturbations, as well as efficient primal and dual solvers for the relaxation. Buoyed by this success, we consider the problem of developing similar techniques for verifying robustness to input perturbations within the probability simplex. We prove a somewhat surprising result that, in this case, not only can one design a tight relaxation that overcomes the convex barrier, but the size of the relaxation remains linear in the number of neurons, thereby leading to simpler and more efficient algorithms. We establish the scalability of our overall approach via the specification of $\ell_1$ robustness for CIFAR-10 and MNIST classification, where our approach improves the state of the art verified accuracy by up to $14.4\%$. Furthermore, we establish its accuracy on a novel and highly challenging task of verifying the robustness of a multi-modal (text and image) classifier to arbitrary changes in its textual input.
High-probability Bounds for Non-Convex Stochastic Optimization with Heavy Tails
Authors: Harsh Mehta Ashok Cutkosky
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider non-convex stochastic optimization using first-order algorithms for which the gradient estimates may have heavy tails. We show that a combination of gradient clipping, momentum, and normalized gradient descent yields convergence to critical points in high-probability with best-known rates for smooth losses when the gradients only have bounded $\mathfrak{p}$th moments for some $\mathfrak{p}\in(1,2]$. We then consider the case of second-order smooth losses, which to our knowledge have not been studied in this setting, and again obtain high-probability bounds for any $\mathfrak{p}$. Moreover, our results hold for arbitrary smooth norms, in contrast to the typical SGD analysis which requires a Hilbert space norm. Further, we show that after a suitable "burn-in" period, the objective value will monotonically decrease for every iteration until a critical point is identified, which provides intuition behind the popular practice of learning rate "warm-up'' and also yields a last-iterate guarantee.
Batch Normalization Orthogonalizes Representations in Deep Random Networks
Authors: Amir Joudaki, Francis R. Bach Hadi Daneshmand
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: This paper underlines an elegant property of batch-normalization (BN): Successive batch normalizations with random linear updates make samples increasingly orthogonal. We establish a non-asymptotic characterization of the interplay between depth, width, and the orthogonality of deep representations. More precisely, we prove, under a mild assumption, the deviation of the representations from orthogonality rapidly decays with depth up to a term inversely proportional to the network width. This result has two main theoretical and practical implications: 1) Theoretically, as the depth grows, the distribution of the outputs contracts to a Wasserstein-2 ball around an isotropic normal distribution. Furthermore, the radius of this Wasserstein ball shrinks with the width of the network. 2) Practically, the orthogonality of the representations directly influences the performance of stochastic gradient descent (SGD). When representations are initially aligned, we observe SGD wastes many iterations to disentangle representations before the classification. Nevertheless, we experimentally show that starting optimization from orthogonal representations is sufficient to accelerate SGD, with no need for BN.
Support vector machines and linear regression coincide with very high-dimensional features
Authors: Clayton Sanford, Daniel J. Hsu Navid Ardeshir
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The support vector machine (SVM) and minimum Euclidean norm least squares regression are two fundamentally different approaches to fitting linear models, but they have recently been connected in models for very high-dimensional data through a phenomenon of support vector proliferation, where every training example used to fit an SVM becomes a support vector. In this paper, we explore the generality of this phenomenon and make the following contributions. First, we prove a super-linear lower bound on the dimension (in terms of sample size) required for support vector proliferation in independent feature models, matching the upper bounds from previous works. We further identify a sharp phase transition in Gaussian feature models, bound the width of this transition, and give experimental support for its universality. Finally, we hypothesize that this phase transition occurs only in much higher-dimensional settings in the $\ell_1$ variant of the SVM, and we present a new geometric characterization of the problem that may elucidate this phenomenon for the general $\ell_p$ case.
Coupled Segmentation and Edge Learning via Dynamic Graph Propagation
Authors: Rui Huang, Wonmin Byeon, Sifei Liu, Guilin Liu, Thomas Breuel, Anima Anandkumar, Jan Kautz Zhiding Yu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Image segmentation and edge detection are both central problems in perceptual grouping. It is therefore interesting to study how these two tasks can be coupled to benefit each other. Indeed, segmentation can be easily transformed into contour edges to guide edge learning. However, the converse is nontrivial since general edges may not always form closed contours. In this paper, we propose a principled end-to-end framework for coupled edge and segmentation learning, where edges are leveraged as pairwise similarity cues to guide segmentation. At the core of our framework is a recurrent module termed as dynamic graph propagation (DGP) layer that performs message passing on dynamically constructed graphs. The layer uses learned gating to dynamically select neighbors for message passing using max-pooling. The output from message passing is further gated with an edge signal to refine segmentation. Experiments demonstrate that the proposed framework is able to let both tasks mutually improve each other. On Cityscapes validation, our best model achieves 83.7% mIoU in semantic segmentation and 78.7% maximum F-score in semantic edge detection. Our method also leads to improved zero-shot robustness on Cityscapes with natural corruptions (Cityscapes-C).
Offline RL Without Off-Policy Evaluation
Authors: Will Whitney, Rajesh Ranganath, Joan Bruna David Brandfonbrener
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Most prior approaches to offline reinforcement learning (RL) have taken an iterative actor-critic approach involving off-policy evaluation. In this paper we show that simply doing one step of constrained/regularized policy improvement using an on-policy Q estimate of the behavior policy performs surprisingly well. This one-step algorithm beats the previously reported results of iterative algorithms on a large portion of the D4RL benchmark. The one-step baseline achieves this strong performance while being notably simpler and more robust to hyperparameters than previously proposed iterative algorithms. We argue that the relatively poor performance of iterative approaches is a result of the high variance inherent in doing off-policy evaluation and magnified by the repeated optimization of policies against those estimates. In addition, we hypothesize that the strong performance of the one-step algorithm is due to a combination of favorable structure in the environment and behavior policy.
Continuous vs. Discrete Optimization of Deep Neural Networks
Authors: Nadav Cohen Omer Elkabetz
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Existing analyses of optimization in deep learning are either continuous, focusing on (variants of) gradient flow, or discrete, directly treating (variants of) gradient descent.  Gradient flow is amenable to theoretical analysis, but is stylized and disregards computational efficiency.  The extent to which it represents gradient descent is an open question in the theory of deep learning.  The current paper studies this question.  Viewing gradient descent as an approximate numerical solution to the initial value problem of gradient flow, we find that the degree of approximation depends on the curvature around the gradient flow trajectory.  We then show that over deep neural networks with homogeneous activations, gradient flow trajectories enjoy favorable curvature, suggesting they are well approximated by gradient descent.  This finding allows us to translate an analysis of gradient flow over deep linear neural networks into a guarantee that gradient descent efficiently converges to global minimum almost surely under random initialization.  Experiments suggest that over simple deep neural networks, gradient descent with conventional step size is indeed close to gradient flow.  We hypothesize that the theory of gradient flows will unravel mysteries behind deep learning.
CrypTen: Secure Multi-Party Computation Meets Machine Learning
Authors: Shobha Venkataraman, Awni Hannun, Shubho Sengupta, Mark Ibrahim, Laurens van der Maaten Brian Knott
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Secure multi-party computation (MPC) allows parties to perform computations on data while keeping that data private. This capability has great potential for machine-learning applications: it facilitates training of machine-learning models on private data sets owned by different parties, evaluation of one party's private model using another party's private data, etc. Although a range of studies implement machine-learning models via secure MPC, such implementations are not yet mainstream. Adoption of secure MPC is hampered by the absence of flexible software frameworks that `"speak the language" of machine-learning researchers and engineers. To foster adoption of secure MPC in machine learning, we present CrypTen: a software framework that exposes popular secure MPC primitives via abstractions that are common in modern machine-learning frameworks, such as tensor computations, automatic differentiation, and modular neural networks. This paper describes the design of CrypTen and measure its performance on state-of-the-art models for text classification, speech recognition, and image classification. Our benchmarks show that CrypTen's GPU support and high-performance communication between (an arbitrary number of) parties allows it to perform efficient private evaluation of modern machine-learning models under a semi-honest threat model. For example, two parties using CrypTen can securely predict phonemes in speech recordings using Wav2Letter faster than real-time. We hope that CrypTen will spur adoption of secure MPC in the machine-learning community.
Can contrastive learning avoid shortcut solutions?
Authors: Li Sun, Ke Yu, Kayhan Batmanghelich, Stefanie Jegelka, Suvrit Sra Joshua W. Robinson
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The generalization of representations learned via contrastive learning depends crucially on what features of the data are extracted. However, we observe that the contrastive loss does not always sufficiently guide which features are extracted, a behavior that can negatively impact the performance on downstream tasks via “shortcuts", i.e., by inadvertently suppressing important predictive features.  We find that feature extraction is influenced by  the difficulty of the so-called instance discrimination task (i.e., the task of discriminating pairs of similar points from pairs of dissimilar ones). Although harder pairs improve the representation of some features, the improvement comes at the cost of suppressing previously well represented features. In response, we propose implicit feature modification (IFM), a method for altering positive and negative samples in order to guide contrastive models towards capturing a wider variety of predictive features. Empirically, we observe that IFM reduces feature suppression, and as a result improves performance on vision and medical imaging tasks.
See More for Scene: Pairwise Consistency Learning for Scene Classification
Authors: Xinhang Song, Bohan Wang, Shuqiang Jiang Gongwei Chen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Scene classification is a valuable classification subtask and has its own characteristics which still needs more in-depth studies. Basically, scene characteristics are distributed over the whole image, which cause the need of “seeing” comprehensive and informative regions. Previous works mainly focus on region discovery and aggregation, while rarely involves the inherent properties of CNN along with its potential ability to satisfy the requirements of scene classification. In this paper, we propose to understand scene images and the scene classification CNN models in terms of the focus area. From this new perspective, we find that large focus area is preferred in scene classification CNN models as a consequence of learning scene characteristics. Meanwhile, the analysis about existing training schemes helps us to understand the effects of focus area, and also raises the question about optimal training method for scene classification. Pursuing the better usage of scene characteristics, we propose a new learning scheme with a tailored loss in the goal of activating larger focus area on scene images. Since the supervision of the target regions to be enlarged is usually lacked, our alternative learning scheme is to erase already activated area, and allow the CNN models to activate more area during training. The proposed scheme is implemented by keeping the pairwise consistency between the output of  the erased image and its original one. In particular, a tailored loss is proposed to keep such pairwise consistency by leveraging category-relevance information. Experiments on Places365 show the significant improvements of our method with various CNNs. Our method shows an inferior result on the object-centric dataset, ImageNet, which experimentally indicates that it captures the unique characteristics of scenes.
Provable Guarantees for Self-Supervised Deep Learning with Spectral Contrastive Loss
Authors: Colin Wei, Adrien Gaidon, Tengyu Ma Jeff Z. HaoChen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Recent works in self-supervised learning have advanced the state-of-the-art by relying on the contrastive learning paradigm, which learns representations by pushing positive pairs, or similar examples from the same class, closer together while keeping negative pairs far apart. Despite the empirical successes, theoretical foundations are limited -- prior analyses assume conditional independence of the positive pairs given the same class label, but recent empirical applications use heavily correlated positive pairs (i.e., data augmentations of the same image). Our work analyzes contrastive learning without assuming conditional independence of positive pairs using a novel concept of the augmentation graph on data.  Edges in this graph connect augmentations of the same data, and ground-truth classes naturally form connected sub-graphs. We propose a loss that performs spectral decomposition on the population augmentation graph and can be succinctly written as a contrastive learning objective on neural net representations. Minimizing this objective leads to features with provable accuracy guarantees under linear probe evaluation. By standard generalization bounds, these accuracy guarantees also hold when minimizing the training contrastive loss. In all, this work provides the first provable analysis for contrastive learning where the guarantees can apply to realistic empirical settings.
Greedy Approximation Algorithms for Active Sequential Hypothesis Testing
Authors: Su Jia, Andrew Li Kyra Gan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: In the problem of \emph{active sequential hypothesis testing} (ASHT), a learner seeks to identify the \emph{true} hypothesis from among a known set of hypotheses. The learner is given a set of actions and knows the random distribution of the outcome of any action under any true hypothesis. Given a target error $\delta>0$, the goal is to sequentially select the fewest number of actions so as to identify the true hypothesis with probability at least $1 - \delta$. Motivated by applications in which the number of hypotheses or actions is massive (e.g., genomics-based cancer detection), we propose efficient (greedy, in fact) algorithms and provide the first approximation guarantees for ASHT, under two types of adaptivity. Both of our guarantees are independent of the number of actions and logarithmic in the number of hypotheses. We numerically evaluate the performance of our algorithms using both synthetic and real-world DNA mutation data, demonstrating that our algorithms outperform previously proposed heuristic policies by large margins.
When False Positive is Intolerant: End-to-End  Optimization with Low FPR for Multipartite Ranking
Authors: Qianqian Xu, Zhiyong Yang, Yuan He, Qingming Huang Peisong Wen
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Multipartite ranking is a basic task in machine learning, where the Area Under the receiver operating characteristics Curve (AUC) is generally applied as the evaluation metric. Despite that AUC reflects the overall performance of the model, it is inconsistent with the expected performance in some application scenarios, where only a low False Positive Rate (FPR) is meaningful. To leverage high performance under low FPRs, we consider an alternative metric for multipartite ranking evaluating the True Positive Rate (TPR) at a given FPR, denoted as TPR@FPR. Unfortunately, the key challenge of direct  TPR@FPR optimization is two-fold: \textbf{a)} the original objective function is not differentiable, making gradient backpropagation impossible; \textbf{b)} the loss function could not be written as a sum of independent instance-wise terms, making mini-batch based optimization infeasible.      To address these issues, we propose a novel framework on top of the deep learning framework named \textit{Cross-Batch Approximation for Multipartite Ranking (CBA-MR)}. In face of \textbf{a)},  we propose a differentiable surrogate optimization problem where the instances having a short-time effect on FPR are rendered with different weights based on the random walk hypothesis. To tackle \textbf{b)}, we propose a fast ranking estimation method, where the full-batch loss evaluation is replaced by a delayed update scheme with the help of an embedding cache. Finally, experimental results on four real-world benchmarks are provided to demonstrate the effectiveness of the proposed method.
Convex Polytope Trees
Authors: Ali Sadeghian, Mingyuan Zhou Mohammadreza Armandpour
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A decision tree is commonly restricted to use a single hyperplane to split the covariate space at each of its internal nodes. It often requires a large number of nodes to achieve high accuracy. In this paper, we propose convex polytope trees (CPT) to expand the family of decision trees by an interpretable generalization of their decision boundary. The splitting function at each node of CPT is based on the logical disjunction of a community of differently weighted probabilistic linear decision-makers, which also geometrically corresponds to a convex polytope in the covariate space. We use a nonparametric Bayesian prior at each node to infer the community's size, encouraging simpler decision boundaries by shrinking the number of polytope facets. We develop a greedy method to efficiently construct CPT and scalable end-to-end training algorithms for the tree parameters when the tree structure is given. We empirically demonstrate the efficiency of CPT over existing state-of-the-art decision trees in several real-world classification and regression tasks from diverse domains.
The Skellam Mechanism for Differentially Private Federated Learning
Authors: Peter Kairouz, Ziyu Liu Naman Agarwal
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We introduce the multi-dimensional Skellam mechanism, a discrete differential privacy mechanism based on the difference of two independent Poisson random variables. To quantify its privacy guarantees, we analyze the privacy loss distribution via a numerical evaluation and provide a sharp bound on the Rényi divergence between two shifted Skellam distributions. While useful in both centralized and distributed privacy applications, we investigate how it can be applied in the context of federated learning with secure aggregation under communication constraints. Our theoretical findings and extensive experimental evaluations demonstrate that the Skellam mechanism provides the same privacy-accuracy trade-offs as the continuous Gaussian mechanism, even when the precision is low. More importantly, Skellam is closed under summation and sampling from it only requires sampling from a Poisson distribution -- an efficient routine that ships with all machine learning and data analysis software packages. These features, along with its discrete nature and competitive privacy-accuracy trade-offs, make it an attractive practical alternative to the newly introduced discrete Gaussian mechanism.
Stability and Deviation Optimal Risk Bounds with Convergence Rate $O(1/n)$
Authors: Nikita Zhivotovskiy Yegor Klochkov
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: The sharpest known high probability generalization bounds for uniformly stable algorithms (Feldman, Vondrak, NeurIPS 2018, COLT, 2019), (Bousquet, Klochkov, Zhivotovskiy, COLT, 2020) contain a generally inevitable sampling error term of order $\Theta(1/\sqrt{n})$. When applied to excess risk bounds, this leads to suboptimal results in several standard stochastic convex optimization problems. We show that if the so-called Bernstein condition is satisfied, the term $\Theta(1/\sqrt{n})$ can be avoided, and high probability excess risk bounds of order up to $O(1/n)$ are possible via uniform stability. Using this result, we show a high probability excess risk bound with the rate $O(\log n/n)$ for strongly convex and Lipschitz losses valid for \emph{any} empirical risk minimization method. This resolves a question of Shalev-Shwartz, Shamir, Srebro, and Sridharan (COLT, 2009). We discuss how $O(\log n/n)$ high probability excess risk bounds are possible for projected gradient descent in the case of strongly convex and Lipschitz losses without the usual smoothness assumption.
SketchGen: Generating Constrained CAD Sketches
Authors: Shariq Bhat, Paul Guerrero, Tom Kelly, Niloy Mitra, Leonidas Guibas, Peter Wonka Wamiq Para
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Computer-aided design (CAD) is the most widely used modeling approach for technical design. The typical starting point in these designs is 2D sketches which can later be extruded and combined to obtain complex three-dimensional assemblies. Such sketches are typically composed of parametric primitives, such as points, lines, and circular arcs, augmented with geometric constraints linking the primitives, such as coincidence, parallelism, or orthogonality. Sketches can be represented as graphs, with the primitives as nodes and the constraints as edges. Training a model to automatically generate CAD sketches can enable several novel workflows, but is challenging due to the complexity of the graphs and the heterogeneity of the primitives and constraints. In particular, each type of primitive and constraint may require a record of different size and parameter types.We propose SketchGen as a generative model based on a transformer architecture to address the heterogeneity problem by carefully designing a sequential language for the primitives and constraints that allows distinguishing between different primitive or constraint types and their parameters, while encouraging our model to re-use information across related parameters, encoding shared structure. A particular highlight of our work is the ability to produce primitives linked via constraints that enables the final output to be further regularized via a constraint solver. We evaluate our model by demonstrating constraint prediction for given sets of primitives and full sketch generation from scratch, showing that our approach significantly out performs the state-of-the-art in CAD sketch generation.
CLDA: Contrastive Learning for Semi-Supervised Domain Adaptation
Authors: Ankit Singh
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Unsupervised Domain Adaptation (UDA) aims to align the labeled source distribution with the unlabeled target distribution to obtain domain invariant predictive models. However, the application of well-known UDA approaches does not generalize well in Semi-Supervised Domain Adaptation (SSDA) scenarios where few labeled samples from the target domain are available.This paper proposes a simple Contrastive Learning framework for semi-supervised Domain Adaptation (CLDA) that attempts to bridge the intra-domain gap between the labeled and unlabeled target distributions and the inter-domain gap between source and unlabeled target distribution in SSDA. We suggest employing class-wise contrastive learning to reduce the inter-domain gap and instance-level contrastive alignment between the original(input image) and strongly augmented unlabeled target images to minimize the intra-domain discrepancy. We have empirically shown that both of these modules complement each other to achieve superior performance. Experiments on three well-known domain adaptation benchmark datasets, namely DomainNet, Office-Home, and Office31, demonstrate the effectiveness of our approach. CLDA achieves state-of-the-art results on all the above datasets.
Differentially Private n-gram Extraction
Authors: Sivakanth Gopi, Janardhan Kulkarni, Sergey Yekhanin Kunho Kim
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We revisit the problem of $n$-gram extraction in the differential privacy setting. In this problem, given a corpus of private text data, the goal is to release as many $n$-grams as possible while preserving user level privacy. Extracting $n$-grams is a fundamental subroutine in many NLP applications such as sentence completion, auto response generation for emails, etc. The problem also arises in other applications such as sequence mining, trajectory analysis, etc., and is a generalization of recently studied differentially private set union (DPSU) by Gopi et al. (2020). In this paper, we develop a new differentially private algorithm for this problem which, in our experiments, significantly outperforms the state-of-the-art. Our improvements stem from combining recent advances in DPSU, privacy accounting, and new heuristics for pruning in the tree-based approach initiated by Chen et al. (2012).
Capturing implicit hierarchical structure in 3D biomedical images with self-supervised hyperbolic representations
Authors: Jeffrey Gu, Gong Wu, Wah Chiu, Serena Yeung Joy Hsu
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We consider the task of representation learning for unsupervised segmentation of 3D voxel-grid biomedical images. We show that models that capture implicit hierarchical relationships between subvolumes are better suited for this task. To that end, we consider encoder-decoder architectures with a hyperbolic latent space, to explicitly capture hierarchical relationships present in subvolumes of the data. We propose utilizing a 3D hyperbolic variational autoencoder with a novel gyroplane convolutional layer to map from the embedding space back to 3D images. To capture these relationships, we introduce an essential self-supervised loss---in addition to the standard VAE loss---which infers approximate hierarchies and encourages implicitly related subvolumes to be mapped closer in the embedding space. We present experiments on synthetic datasets along with a dataset from the medical domain to validate our hypothesis.
Noisy Recurrent Neural Networks
Authors: N. Benjamin Erichson, Liam Hodgkinson, Michael W. Mahoney Soon Hoe Lim
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: We provide a general framework for studying recurrent neural networks (RNNs) trained by injecting noise into hidden states. Specifically, we consider RNNs that can be viewed as discretizations of stochastic differential equations driven by input data. This framework allows us to study the implicit regularization effect of general noise injection schemes by deriving an approximate explicit regularizer in the small noise regime. We find that, under reasonable assumptions, this implicit regularization promotes flatter minima; it biases towards models with more stable dynamics; and, in classification tasks, it favors models with larger classification margin. Sufficient conditions for global stability are obtained, highlighting the phenomenon of stochastic stabilization, where noise injection can improve stability during training. Our theory is supported by empirical results which demonstrate that the RNNs have improved robustness with respect to various input perturbations.
Matrix encoding networks for neural combinatorial optimization
Authors: Jinho Choo, Iljoo Yoon, Minah Park, Duwon Park, Youngjune Gwon Yeong-Dae Kwon
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Machine Learning (ML) can help solve combinatorial optimization (CO) problems better. A popular approach is to use a neural net to compute on the parameters of a given CO problem and extract useful information that guides the search for good solutions. Many CO problems of practical importance can be specified in a matrix form of parameters quantifying the relationship between two groups of items. There is currently no neural net model, however, that takes in such matrix-style relationship data as an input. Consequently, these types of CO problems have been out of reach for ML engineers. In this paper, we introduce Matrix Encoding Network (MatNet) and show how conveniently it takes in and processes parameters of such complex CO problems. Using an end-to-end model based on MatNet, we solve asymmetric traveling salesman (ATSP) and flexible flow shop (FFSP) problems as the earliest neural approach. In particular, for a class of FFSP we have tested MatNet on, we demonstrate a far superior empirical performance to any methods (neural or not) known to date.
When Is Unsupervised Disentanglement Possible?
Authors: Eitan Richardson, Yair Weiss Daniella Horan
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: A common assumption in many domains is that high dimensional data are a smooth nonlinear function of a small number of independent factors. When is it possible to recover the factors from unlabeled data? In the context of deep models this problem is called “disentanglement” and was recently shown to be impossible without additional strong assumptions [17, 19]. In this paper, we show that the assumption of local isometry together with non-Gaussianity of the factors, is sufficient to provably recover disentangled representations from data. We leverage recent advances in deep generative models to construct manifolds of highly realistic images for which the ground truth latent representation is known, and test whether modern and classical methods succeed in recovering the latent factors. For many different manifolds, we find that a spectral method that explicitly optimizes local isometry and non-Gaussianity consistently finds the correct latent factors, while baseline deep autoencoders do not. We propose how to encourage deep autoencoders to find encodings that satisfy local isometry and show that this helps them discover disentangled representations. Overall, our results suggest that in some realistic settings, unsupervised disentanglement is provably possible, without any domain-specific assumptions.
Continuous Latent Process Flows
Authors: Marcus A Brubaker, Greg Mori, Andreas Lehrmann Ruizhi Deng
Published in: Advances in Neural Information Processing Systems 34  (NeurIPS 2021) (Main Conference Track), 2021

Abstract: Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has practical benefits, including the ability to generate continuous trajectories and to perform inference on previously unseen time stamps. Despite exciting progress in this area, the existing models still face challenges in terms of their representational power and the quality of their variational approximations. We tackle these challenges with continuous latent process flows (CLPF), a principled architecture decoding continuous latent processes into continuous observable processes using a time-dependent normalizing flow driven by a stochastic differential equation. To optimize our model using maximum likelihood, we propose a novel piecewise construction of a variational posterior process and derive the corresponding variational lower bound using trajectory re-weighting. Our ablation studies demonstrate the effectiveness of our contributions in various inference tasks on irregular time grids. Comparisons to state-of-the-art baselines show our model's favourable performance on both synthetic and real-world time-series data.