huashen218/convxai-cia-dataset huggingface dataset:
Continuous-Time Meta-Learning with Forward Mode Differentiation
Keywords: meta-learning, few-shot learning, dynamical systems

Drawing inspiration from gradient-based meta-learning methods with infinitely small gradient steps, we introduce Continuous-Time Meta-Learning (COMLN), a meta-learning algorithm where adaptation follows the dynamics of a gradient vector field. Specifically, representations of the inputs are meta-learned such that a task-specific linear classifier is obtained as a solution of an ordinary differential equation (ODE). Treating the learning process as an ODE offers the notable advantage that the length of the trajectory is now continuous, as opposed to a fixed and discrete number of gradient steps. As a consequence, we can optimize the amount of adaptation necessary to solve a new task using stochastic gradient descent, in addition to learning the initial conditions as is standard practice in gradient-based meta-learning. Importantly, in order to compute the exact meta-gradients required for the outer-loop updates, we  devise an efficient algorithm based on forward mode differentiation, whose memory requirements do not scale with the length of the learning trajectory, thus allowing longer adaptation in constant memory. We provide analytical guarantees for the stability of COMLN, we show empirically its efficiency in terms of runtime and memory usage, and we illustrate its effectiveness on a range of few-shot image classification problems.
On the relation between statistical learning and perceptual distances

It has been demonstrated many times that the behavior of the human visual system is connected to the statistics of natural images. Since machine learning relies on the statistics of training data as well, the above connection has interesting implications when using perceptual distances (which mimic the behavior of the human visual system) as a loss function. In this paper, we aim to unravel the non-trivial relationships between the probability distribution of the data, perceptual distances, and unsupervised machine learning. To this end, we show that perceptual sensitivity is correlated with the probability of an image in its close neighborhood. We also explore the relation between distances induced by autoencoders and the probability distribution of the training data, as well as how these induced distances are correlated with human perception. Finally, we find perceptual distances do not always lead to noticeable gains in performance over Euclidean distance in common image processing tasks, except when data is scarce and the perceptual distance provides regularization. We propose this may be due to a double-counting effect of the image statistics, once in the perceptual distance and once in the training procedure.
Implicit Bias of Projected Subgradient Method Gives Provable Robust Recovery of Subspaces of Unknown Codimension
Keywords: representation learning, robust subspace recovery, dual principals component pursuit, outliers, model selection

Robust subspace recovery (RSR) is the problem of learning a subspace from sample data points corrupted by outliers. Dual Principal Component Pursuit (DPCP) is a robust subspace recovery method that aims to find a basis for the orthogonal complement of the subspace by minimizing the sum of the distances of the points to the subspaces subject to orthogonality constraints on the basis. Prior work has shown that DPCP can provably recover the correct subspace in the presence of outliers as long as the true dimension of the subspace is known. In this paper, we show that if the orthogonality constraints --adopted in previous DPCP formulations-- are relaxed and random initialization is used instead of spectral one, DPCP can provably recover a subspace of \emph{unknown dimension}. Specifically, we propose a very simple algorithm based on running multiple instances of a projected sub-gradient descent method (PSGM), with each problem instance seeking to find one vector in the null space of the subspace. We theoretically prove that under mild conditions this approach succeeds with high probability. In particular, we show that 1) all of the problem instances will converge to a vector in the nullspace of the subspace and 2) the ensemble of problem instance solutions will be sufficiently diverse to fully span the nullspace of the subspace thus also revealing its true unknown codimension. We provide empirical results that corroborate our theoretical results and showcase the remarkable implicit rank regularization behavior of the PSGM algorithm that allows us to perform RSR without knowing the subspace dimension
On the Optimal Memorization Power of ReLU Neural Networks
Keywords: Expressivness, Memorization, Theory, VC-dimension, Deep learning theory

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any $N$ points that satisfy a mild separability assumption using $\tilde{O}\left(\sqrt{N}\right)$ parameters. Known VC-dimension upper bounds imply that memorizing $N$ samples requires $\Omega(\sqrt{N})$ parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by $1 \leq L \leq \sqrt{N}$, for memorizing $N$ samples using $\tilde{O}(N/L)$ parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.
Programmatic Reinforcement Learning without Oracles
Keywords: Reinforcement Learning, Programmatic Reinforcement Learning, Compositional Reinforcement Learning, Program Synthesis, Differentiable Architecture Search

Deep reinforcement learning (RL) has led to encouraging successes in many challenging control tasks. However, a deep RL model lacks interpretability due to the difficulty of identifying how the model's control logic relates to its network structure. Programmatic policies structured in more interpretable representations emerge as a promising solution. Yet two shortcomings remain: First, synthesizing programmatic policies requires optimizing over the discrete and non-differentiable search space of program architectures. Previous works are suboptimal because they only enumerate program architectures greedily guided by a pretrained RL oracle. Second, these works do not exploit compositionality, an important programming concept, to reuse and compose primitive functions to form a complex function for new tasks. Our first contribution is a programmatically interpretable RL framework that conducts program architecture search on top of a continuous relaxation of the architecture space defined by programming language grammar rules. Our algorithm allows policy architectures to be learned with policy parameters via bilevel optimization using efficient policy-gradient methods, and thus does not require a pretrained oracle. Our second contribution is improving programmatic policies to support compositionality by integrating primitive functions learned to grasp task-agnostic skills as a composite program to solve novel RL problems. Experiment results demonstrate that our algorithm excels in discovering optimal programmatic policies that are highly interpretable. The code of this work is available at https://github.com/RU-Automated-Reasoning-Group/pi-PRL.
When Vision Transformers Outperform ResNets without Pre-training or Strong Data Augmentations
Keywords: Vision Transformers, Optimization

Vision Transformers (ViTs) and MLPs signal further efforts on replacing hand-wired features or inductive biases with general-purpose neural architectures. Existing works empower the models by massive data, such as large-scale pre-training and/or repeated strong data augmentations, and still report optimization-related problems (e.g., sensitivity to initialization and learning rates). Hence, this paper investigates ViTs and MLP-Mixers from the lens of loss geometry, intending to improve the models' data efficiency at training and generalization at inference. Visualization and Hessian reveal extremely sharp local minima of converged models. By promoting smoothness with a recently proposed sharpness-aware optimizer, we substantially improve the accuracy and robustness of ViTs and MLP-Mixers on various tasks spanning supervised, adversarial, contrastive, and transfer learning (e.g., +5.3\% and +11.0\% top-1 accuracy on ImageNet for ViT-B/16 and Mixer-B/16, respectively, with the simple Inception-style preprocessing). We show that the improved smoothness attributes to sparser active neurons in the first few layers. The resultant ViTs outperform ResNets of similar size and throughput when trained from scratch on ImageNet without large-scale pre-training or strong data augmentations. Model checkpoints are available at \url{https://github.com/google-research/vision_transformer}.
Online Hyperparameter Meta-Learning with Hypergradient Distillation
Keywords: Hyperparameter Optimization, Meta-learning

Many gradient-based meta-learning methods assume a set of parameters that do not participate in inner-optimization, which can be considered as hyperparameters. Although such hyperparameters can be optimized using the existing gradient-based hyperparameter optimization (HO) methods, they suffer from the following issues. Unrolled differentiation methods do not scale well to high-dimensional hyperparameters or horizon length, Implicit Function Theorem (IFT) based methods are restrictive for online optimization, and short horizon approximations suffer from short horizon bias. In this work, we propose a novel HO method that can overcome these limitations, by approximating the second-order term with knowledge distillation. Specifically, we parameterize a single Jacobian-vector product (JVP) for each HO step and minimize the distance from the true second-order term. Our method allows online optimization and also is scalable to the hyperparameter dimension and the horizon length. We demonstrate the effectiveness of our method on three different meta-learning methods and two benchmark datasets.
Tighter Sparse Approximation Bounds for ReLU Neural Networks
Keywords: neural network, two-layer, infinite-width, approximation, sparse, Radon transform, Fourier transform, ReLU

A well-known line of work (Barron, 1993; Breiman, 1993; Klusowski & Barron, 2018) provides bounds on the width $n$ of a ReLU two-layer neural network needed to approximate a function $f$ over the ball $\mathcal{B}_R(\mathbb{R}^d)$ up to error $\epsilon$, when the Fourier based quantity $C_f = \int_{\mathbb{R}^d} \|\xi\|^2 |\hat{f}(\xi)| \ d\xi$ is finite. More recently Ongie et al. (2019) used the Radon transform as a tool for analysis of infinite-width ReLU two-layer networks. In particular, they introduce the concept of Radon-based $\mathcal{R}$-norms and show that a function defined on $\mathbb{R}^d$ can be represented as an infinite-width two-layer neural network if and only if its $\mathcal{R}$-norm is finite. In this work, we extend the framework of Ongie et al. (2019) and define similar Radon-based semi-norms ($\mathcal{R}, \mathcal{U}$-norms) such that a function admits an infinite-width neural network representation on a bounded open set $\mathcal{U} \subseteq \mathbb{R}^d$ when its $\mathcal{R}, \mathcal{U}$-norm is finite. Building on this, we derive sparse (finite-width) neural network approximation bounds that refine those of Breiman (1993); Klusowski & Barron (2018). Finally, we show that infinite-width neural network representations on bounded open sets are not unique and study their structure, providing a functional view of mode connectivity.
Long Expressive Memory for Sequence Modeling
Keywords: sequence modeling, long-term dependencies, multiscale ordinary differential equations, dynamical systems

We propose a novel method called Long Expressive Memory (LEM) for learning long-term sequential dependencies. LEM is gradient-based, it can efficiently process sequential tasks with very long-term dependencies, and it is sufficiently expressive to be able to learn complicated input-output maps. To derive LEM, we consider a system of multiscale ordinary differential equations, as well as a suitable time-discretization of this system. For LEM, we derive rigorous bounds to show the mitigation of the exploding and vanishing gradients problem, a well-known challenge for gradient-based recurrent sequential learning methods. We also prove that LEM can approximate a large class of dynamical systems to high accuracy. Our empirical results, ranging from image and time-series classification through dynamical systems prediction to speech recognition and language modeling, demonstrate that LEM outperforms state-of-the-art recurrent neural networks, gated recurrent units, and long short-term memory models.
Anomaly Transformer: Time Series Anomaly Detection with Association Discrepancy
Keywords: Time series anomaly detection, Transformers, Anomaly attention, Association discrepancy

Unsupervised detection of anomaly points in time series is a challenging problem, which requires the model to derive a distinguishable criterion. Previous methods tackle the problem mainly through learning pointwise representation or pairwise association, however, neither is sufficient to reason about the intricate dynamics. Recently, Transformers have shown great power in unified modeling of pointwise representation and pairwise association, and we find that the self-attention weight distribution of each time point can embody rich association with the whole series. Our key observation is that due to the rarity of anomalies, it is extremely difficult to build nontrivial associations from abnormal points to the whole series, thereby, the anomalies' associations shall mainly concentrate on their adjacent time points. This adjacent-concentration bias implies an association-based criterion inherently distinguishable between normal and abnormal points, which we highlight through the Association Discrepancy. Technically, we propose the Anomaly Transformer with a new Anomaly-Attention mechanism to compute the association discrepancy. A minimax strategy is devised to amplify the normal-abnormal distinguishability of the association discrepancy. The Anomaly Transformer achieves state-of-the-art results on six unsupervised time series anomaly detection benchmarks of three applications: service monitoring, space & earth exploration, and water treatment.
Progressive Distillation for Fast Sampling of Diffusion Models
Keywords: Diffusion Models, Generative Models, fast sampling

Diffusion models have recently shown great promise for generative modeling, outperforming GANs on perceptual quality and autoregressive models at density estimation. A remaining downside is their slow sampling time: generating high quality samples takes many hundreds or thousands of model evaluations. Here we make two contributions to help eliminate this downside: First, we present new parameterizations of diffusion models that provide increased stability when using few sampling steps, compared to models in the literature. Second, we present a method to distill a trained deterministic diffusion sampler, using many steps, into a new diffusion model that takes half as many sampling steps. We then keep progressively applying this distillation procedure to our model, halving the number of required sampling steps each time. On standard image generation benchmarks like CIFAR-10, ImageNet, and LSUN, we start out with (near) state-of-the-art samplers taking 1024 or 8192 steps, and are able to distill down to models taking as little as 4 steps without losing much perceptual quality; achieving, for example, a FID of 3.0 on CIFAR-10 in 4 steps. Finally, we show that the full progressive distillation procedure does not take more time than it takes to train the original model, thus representing an efficient solution for generative modeling using diffusion at both train and test time.
A General Analysis of Example-Selection for Stochastic Gradient Descent

Training example order in SGD has long been known to affect convergence rate. Recent results show that accelerated rates are possible in a variety of cases for permutation-based sample orders, in which each example from the training set is used once before any example is reused. In this paper, we develop a broad condition on the sequence of examples used by SGD that is sufficient to prove tight convergence rates in both strongly convex and non-convex settings. We show that our approach suffices to recover, and in some cases improve upon, previous state-of-the-art analyses for four known example-selection schemes: (1) shuffle once, (2) random reshuffling, (3) random reshuffling with data echoing, and (4) Markov Chain Gradient Descent. Motivated by our theory, we propose two new example-selection approaches. First, using quasi-Monte-Carlo methods, we achieve unprecedented accelerated convergence rates for learning with data augmentation. Second, we greedily choose a fixed scan-order to minimize the metric used in our condition and show that we can obtain more accurate solutions from the same number of epochs of SGD. We conclude by empirically demonstrating the utility of our approach for both convex linear-model and deep learning tasks. Our code is available at: https://github.com/EugeneLYC/qmc-ordering.
Assessing Generalization of SGD via Disagreement
Keywords: Generalization, Deep Learning, Empirical Phenomenon, Accuracy Estimation, Stochastic Gradient Descent

We empirically show that the test error of deep networks can be estimated by training the same architecture on the same training set but with two different runs of Stochastic Gradient Descent (SGD), and then measuring the disagreement rate between the two networks on unlabeled test data. This builds on -- and is a stronger version of -- the observation in Nakkiran&Bansal 20, which requires the runs to be on separate training sets. We further theoretically show that this peculiar phenomenon arises from the well-calibrated nature of ensembles of SGD-trained models. This finding not only provides a simple empirical measure to directly predict the test error using unlabeled test data, but also establishes a new conceptual connection between generalization and calibration.
Generative Planning for Temporally Coordinated Exploration in Reinforcement Learning

Standard model-free reinforcement learning algorithms optimize a policy that generates the action to be taken in the current time step in order to maximize expected future return. While flexible, it faces difficulties arising from the inefficient exploration due to its single step nature. In this work, we present Generative Planning method (GPM), which can generate actions not only for the current step, but also for a number of future steps (thus termed as generative planning). This brings several benefits to GPM. Firstly,  since GPM is trained by maximizing value, the plans generated from it can be regarded as intentional action sequences for reaching high value regions. GPM can therefore leverage its generated multi-step plans for temporally coordinated exploration towards high value regions, which is potentially more effective than a sequence of actions generated by perturbing each action at single step level, whose consistent movement decays exponentially with the number of exploration steps. Secondly, starting from a crude initial plan generator, GPM can refine it to be adaptive to the task, which, in return, benefits future explorations. This is potentially more effective than commonly used action-repeat strategy, which is non-adaptive in its form of plans. Additionally, since the multi-step plan can be interpreted as the intent of the agent from now to a span of time period into the future, it offers a more informative and intuitive signal for interpretation. Experiments are conducted on several benchmark environments and the results demonstrated its effectiveness compared with several baseline methods.
Pessimistic Bootstrapping for Uncertainty-Driven Offline Reinforcement Learning
Keywords: Pessimistic Bootstrapping, Bootstrapped Q-functions, Uncertainty Estimation, Offline Reinforcement Learning

Offline Reinforcement Learning (RL) aims to learn policies from previously collected datasets without exploring the environment. Directly applying off-policy algorithms to offline RL usually fails due to the extrapolation error caused by the out-of-distribution (OOD) actions. Previous methods tackle such problem by penalizing the Q-values of OOD actions or constraining the trained policy to be close to the behavior policy. Nevertheless, such methods typically prevent the generalization of value functions beyond the offline data and also lack precise characterization of OOD data. In this paper, we propose Pessimistic Bootstrapping for offline RL (PBRL), a purely uncertainty-driven offline algorithm without explicit policy constraints. Specifically, PBRL conducts uncertainty quantification via the disagreement of bootstrapped Q-functions, and performs pessimistic updates by penalizing the value function based on the estimated uncertainty. To tackle the extrapolating error, we further propose a novel OOD sampling method. We show that such OOD sampling and pessimistic bootstrapping yields provable uncertainty quantifier in linear MDPs, thus providing the theoretical underpinning for PBRL. Extensive experiments on D4RL benchmark show that PBRL has better performance compared to the state-of-the-art algorithms.
Equivariant Subgraph Aggregation Networks
Keywords: Graph Neural Networks, Expressive power, Equivariance, Weisfeiler-Leman

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in their expressive power. This paper proposes a novel framework called Equivariant Subgraph Aggregation Networks (ESAN) to address this issue. Our main observation is that while two graphs may not be distinguishable by an MPNN, they often contain distinguishable subgraphs. Thus, we propose to represent each graph as a set of subgraphs derived by some predefined policy, and to process it using a suitable equivariant architecture. We develop novel variants of the 1-dimensional Weisfeiler-Leman (1-WL) test for graph isomorphism, and prove lower bounds on the expressiveness of ESAN in terms of these new WL variants. We further prove that our approach increases the expressive power of both MPNNs and more expressive architectures. Moreover, we provide theoretical results that describe how design choices such as the subgraph selection policy and equivariant neural architecture affect our architecture's expressive power. To deal with the increased computational cost, we propose a subgraph sampling scheme, which can be viewed as a stochastic version of our framework. A comprehensive set of experiments on real and synthetic datasets demonstrates that our framework improves the expressive power and overall performance of popular GNN architectures.