OpenRaiser/Intern-Atlas huggingface dataset:
Respecting Transfer Gap in Knowledge Distillation
Venue: Conference NeurIPS 2022
Year: 2022

Knowledge distillation (KD) is essentially a process of transferring a teacher model's behavior, e.g., network response, to a student model. The network response serves as additional supervision to formulate the machine domain, which uses the data collected from the human domain as a transfer set. Traditional KD methods hold an underlying assumption that the data collected in both human domain and machine domain are both independent and identically distributed (IID). We point out that this naive assumption is unrealistic and there is indeed a transfer gap between the two domains. Although the gap offers the student model external knowledge from the machine domain, the imbalanced teacher knowledge would make us incorrectly estimate how much to transfer from teacher to student per sample on the non-IID transfer set. To tackle this challenge, we propose Inverse Probability Weighting Distillation (IPWD) that estimates the propensity score of a training sample belonging to the machine domain, and assigns its inverse amount to compensate for under-represented samples. Experiments on CIFAR-100 and ImageNet demonstrate the effectiveness of IPWD for both two-stage distillation and one-stage self-distillation.
Target alignment in truncated kernel ridge regression
Venue: Conference NeurIPS 2022
Year: 2022

Kernel ridge regression (KRR) has recently attracted renewed interest due to its potential for explaining the transient effects, such as double descent, that emerge during neural network training. In this work, we study how the alignment between the target function and the kernel affects the performance of the KRR. We focus on the truncated KRR (TKRR) which utilizes an additional parameter that controls the spectral truncation of the kernel matrix. We show that for polynomial alignment, there is an \emph{over-aligned} regime, in which TKRR can achieve a faster rate than what is achievable by full KRR. The rate of TKRR can improve all the way to the parametric rate, while that of full KRR is capped at a sub-optimal value. This shows that target alignemnt can be better leveraged by utilizing spectral truncation in kernel methods. We also consider the bandlimited alignment setting and show that the regularization surface of TKRR can exhibit transient effects including multiple descent and non-monotonic behavior. Our results show that there is a strong and quantifable relation between the shape of the \emph{alignment spectrum} and the generalization performance of kernel methods, both in terms of rates and in finite samples.
Continual Learning In Environments With Polynomial Mixing Times
Venue: Conference NeurIPS 2022
Year: 2022

The mixing time of the Markov chain induced by a policy limits performance in real-world continual learning scenarios. Yet, the effect of mixing times on learning in continual reinforcement learning (RL) remains underexplored. In this paper, we characterize problems that are of long-term interest to the development of continual RL, which we call scalable MDPs, through the lens of mixing times. In particular, we theoretically establish that scalable MDPs have mixing times that scale polynomially with the size of the problem. We go on to demonstrate that polynomial mixing times present significant difficulties for existing approaches, which suffer from myopic bias and stale bootstrapped estimates. To validate our theory, we study the empirical scaling behavior of mixing times with respect to the number of tasks and task duration for high performing policies deployed across multiple Atari games. Our analysis demonstrates both that polynomial mixing times do emerge in practice and how their existence may lead to unstable learning behavior like catastrophic forgetting in continual learning settings.
ENS-10: A Dataset For Post-Processing Ensemble Weather Forecasts
Venue: Conference NeurIPS 2022
Year: 2022

Post-processing ensemble prediction systems can improve the reliability of weather forecasting, especially for extreme event prediction. In recent years, different machine learning models have been developed to improve the quality of weather post-processing. However, these models require a comprehensive dataset of weather simulations to produce high-accuracy results, which comes at a high computational cost to generate. This paper introduces the ENS-10 dataset, consisting of ten ensemble members spanning 20 years (1998-2017). The ensemble members are generated by perturbing numerical weather simulations to capture the chaotic behavior of the Earth. To represent the three-dimensional state of the atmosphere, ENS-10 provides the most relevant atmospheric variables at 11 distinct pressure levels and the surface at 0.5-degree resolution for forecast lead times T=0, 24, and 48 hours (two data points per week). We propose the ENS-10 prediction correction task for improving the forecast quality at a 48-hour lead time through ensemble post-processing. We provide a set of baselines and compare their skill at correcting the predictions of three important atmospheric variables. Moreover, we measure the baselines' skill at improving predictions of extreme weather events using our dataset. The ENS-10 dataset is available under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.
Panchromatic and Multispectral Image Fusion via Alternating Reverse Filtering Network
Venue: Conference NeurIPS 2022
Year: 2022

Panchromatic (PAN) and multi-spectral (MS) image fusion, named Pan-sharpening, refers to super-resolve the low-resolution (LR) multi-spectral (MS) images in the spatial domain to generate the expected high-resolution (HR) MS images, conditioning on the corresponding high-resolution PAN images. In this paper, we present a simple yet effective \textit{alternating reverse filtering network} for pan-sharpening. Inspired by the classical reverse filtering that reverses images to the status before filtering, we formulate pan-sharpening as an alternately iterative reverse filtering process, which fuses LR MS and HR MS in an interpretable manner. Different from existing model-driven methods that require well-designed priors and degradation assumptions, the reverse filtering process avoids the dependency on pre-defined exact priors. To guarantee the stability and convergence of the iterative process via contraction mapping on a metric space, we develop the learnable multi-scale Gaussian kernel module, instead of using specific filters. We demonstrate the theoretical feasibility of such formulations. Extensive experiments on diverse scenes to thoroughly verify the performance of our method, significantly outperforming the state of the arts.
Unsupervised Cross-Task Generalization via Retrieval Augmentation
Venue: Conference NeurIPS 2022
Year: 2022

Humans can perform unseen tasks by recalling relevant skills acquired previously and then generalizing them to the target tasks, even if there is no supervision at all. In this paper, we aim to improve this kind of cross-task generalization ability of massive multi-task language models, such as T0 and FLAN, in an unsupervised setting. We propose a retrieval-augmentation method named ReCross that takes a few unlabelled examples as queries to retrieve a small subset of upstream data and uses them to update the multi-task model for better generalization. ReCross is a straightforward yet effective retrieval method that combines both efficient dense retrieval and effective pair-wise reranking. Our results and analysis show that it significantly outperforms both non-retrieval methods and other baseline methods.
Adversarial Auto-Augment with Label Preservation: A Representation Learning Principle Guided Approach
Venue: Conference NeurIPS 2022
Year: 2022

Data augmentation is a critical contributing factor to the success of deep learning but heavily relies on prior domain knowledge which is not always available. Recent works on automatic data augmentation learn a policy to form a sequence of augmentation operations, which are still pre-defined and restricted to limited options. In this paper, we show that a prior-free autonomous data augmentation's objective can be derived from a representation learning principle that aims to preserve the minimum sufficient information of the labels. Given an example, the objective aims at creating a distant "hard positive example" as the augmentation, while still preserving the original label. We then propose a practical surrogate to the objective that can be optimized efficiently and integrated seamlessly into existing methods for a broad class of machine learning tasks, e.g., supervised, semi-supervised, and noisy-label learning. Unlike previous works, our method does not require training an extra generative model but instead leverages the intermediate layer representations of the end-task model for generating data augmentations. In experiments, we show that our method consistently brings non-trivial improvements to the three aforementioned learning tasks from both efficiency and final performance, either or not combined with strong pre-defined augmentations, e.g., on medical images when domain knowledge is unavailable and the existing augmentation techniques perform poorly. Code is available at: https://github.com/kai-wen-yang/LPA3}{https://github.com/kai-wen-yang/LPA3.
Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs
Venue: Conference NeurIPS 2022
Year: 2022

Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses unique challenges to adopting the invariance principle. In particular, distribution shifts on graphs can appear in a variety of forms such as attributes and structures, making it difficult to identify the invariance. Moreover, domain or environment partitions, which are often required by OOD methods on Euclidean data, could be highly expensive to obtain for graphs. To bridge this gap, we propose a new framework, called Causality Inspired Invariant Graph LeArning (CIGA), to capture the invariance of graphs for guaranteed OOD generalization under various distribution shifts. Specifically, we characterize potential distribution shifts on graphs with causal models, concluding that OOD generalization on graphs is achievable when models focus only on subgraphs containing the most information about the causes of labels. Accordingly, we propose an information-theoretic objective to extract the desired subgraphs that maximally preserve the invariant intra-class information. Learning with these subgraphs is immune to distribution shifts. Extensive experiments on 16 synthetic or real-world datasets, including a challenging setting -- DrugOOD, from AI-aided drug discovery, validate the superior OOD performance of CIGA.
To update or not to update? Neurons at equilibrium in deep models
Venue: Conference NeurIPS 2022
Year: 2022

Recent advances in deep learning optimization showed that, with some a-posteriori information on fully-trained models, it is possible to match the same performance by simply training a subset of their parameters. Such a discovery has a broad impact from theory to applications, driving the research towards methods to identify the minimum subset of parameters to train without look-ahead information exploitation. However, the methods proposed do not match the state-of-the-art performance, and rely on unstructured sparsely connected models. In this work we shift our focus from the single parameters to the behavior of the whole neuron, exploiting the concept of neuronal equilibrium (NEq). When a neuron is in a configuration at equilibrium (meaning that it has learned a specific input-output relationship), we can halt its update; on the contrary, when a neuron is at non-equilibrium, we let its state evolve towards an equilibrium state, updating its parameters. The proposed approach has been tested on different state-of-the-art learning strategies and tasks, validating NEq and observing that the neuronal equilibrium depends on the specific learning setup.
Non-convex online learning via algorithmic equivalence
Venue: Conference NeurIPS 2022
Year: 2022

We study an algorithmic equivalence technique between non-convex gradient descent and convex mirror descent. We start by looking at a harder problem of regret minimization in online non-convex optimization. We show that under certain geometric and smoothness conditions, online gradient descent applied to non-convex functions is an approximation of online mirror descent applied to convex functions under reparameterization. In continuous time, the gradient flow with this reparameterization was shown to be exactly equivalent to continuous-time mirror descent by Amid and Warmuth 2020, but theory for the analogous discrete time algorithms is left as an open problem. We prove an $O(T^{\frac{2}{3}})$ regret bound for non-convex online gradient descent in this setting, answering this open problem. Our analysis is based on a new and simple algorithmic equivalence method.
A Combinatorial Perspective on the Optimization of Shallow ReLU Networks
Venue: Conference NeurIPS 2022
Year: 2022

The NP-hard problem of optimizing a shallow ReLU network can be characterized as a combinatorial search over each training example's activation pattern followed by a constrained convex problem given a fixed set of activation patterns. We explore the implications of this combinatorial aspect of ReLU optimization in this work. We show that it can be naturally modeled via a geometric and combinatoric object known as a zonotope with its vertex set isomorphic to the set of feasible activation patterns. This assists in analysis and provides a foundation for further research. We demonstrate its usefulness when we explore the sensitivity of the optimal loss to perturbations of the training data. Later we discuss methods of zonotope vertex selection and its relevance to optimization. Overparameterization assists in training by making a randomly chosen vertex more likely to contain a good solution. We then introduce a novel polynomial-time vertex selection procedure that provably picks a vertex containing the global optimum using only double the minimum number of parameters required to fit the data. We further introduce a local greedy search heuristic over zonotope vertices and demonstrate that it outperforms gradient descent on underparameterized problems.
FiLM-Ensemble: Probabilistic Deep Learning via Feature-wise Linear Modulation
Venue: Conference NeurIPS 2022
Year: 2022

The ability to estimate epistemic uncertainty is often crucial when deploying machine learning in the real world, but modern methods often produce overconfident, uncalibrated uncertainty predictions. A common approach to quantify epistemic uncertainty, usable across a wide class of prediction models, is to train a model ensemble. In a naive implementation, the ensemble approach has high computational cost and high memory demand. This challenges in particular modern deep learning, where even a single deep network is already demanding in terms of compute and memory, and has given rise to a number of attempts to emulate the model ensemble without actually instantiating separate ensemble members. We introduce FiLM-Ensemble, a deep, implicit ensemble method based on the concept of Feature-wise Linear Modulation (FiLM). That technique was originally developed for multi-task learning, with the aim of decoupling different tasks. We show that the idea can be extended to uncertainty quantification: by modulating the network activations of a single deep network with FiLM, one obtains a model ensemble with high diversity, and consequently well-calibrated estimates of epistemic uncertainty, with low computational overhead in comparison. Empirically, FiLM-Ensemble outperforms other implicit ensemble methods, and it and comes very close to the upper bound of an explicit ensemble of networks (sometimes even beating it), at a fraction of the memory cost.
Beyond Time-Average Convergence: Near-Optimal Uncoupled Online Learning via Clairvoyant Multiplicative Weights Update
Venue: Conference NeurIPS 2022
Year: 2022

In this paper, we provide a novel and simple algorithm, Clairvoyant Multiplicative Weights Updates (CMWU) for regret minimization in general games. CMWU effectively corresponds to the standard MWU algorithm but where all agents, when updating their mixed strategies, use the payoff profiles based on tomorrow's behavior, i.e. the agents are clairvoyant. CMWU achieves constant regret of $\ln(m)/η$ in all normal-form games with m actions and fixed step-sizes $η$. Although CMWU encodes in its definition a fixed point computation, which in principle could result in dynamics that are neither computationally efficient nor uncoupled, we show that both of these issues can be largely circumvented. Specifically, as long as the step-size $η$ is upper bounded by $\frac{1}{(n-1)V}$, where $n$ is the number of agents and $[0,V]$ is the payoff range, then the CMWU updates can be computed linearly fast via a contraction map. This implementation results in an uncoupled online learning dynamic that admits a $O (\log T)$-sparse sub-sequence where each agent experiences at most $O(nV\log m)$ regret. This implies that the CMWU dynamics converge with rate $O(nV \log m \log T / T)$ to a \textit{Coarse Correlated Equilibrium}. The latter improves on the current state-of-the-art convergence rate of \textit{uncoupled online learning dynamics} \cite{daskalakis2021near,anagnostides2021near}.
One-shot Neural Backdoor Erasing via Adversarial Weight Masking
Venue: Conference NeurIPS 2022
Year: 2022

Recent studies show that despite achieving high accuracy on a number of real-world applications, deep neural networks (DNNs) can be backdoored: by injecting triggered data samples into the training dataset, the adversary can mislead the trained model into classifying any test data to the target class as long as the trigger pattern is presented. To nullify such backdoor threats, various methods have been proposed. Particularly, a line of research aims to purify the potentially compromised model. However, one major limitation of this line of work is the requirement to access sufficient original training data: the purifying performance is a lot worse when the available training data is limited. In this work, we propose Adversarial Weight Masking (AWM), a novel method capable of erasing the neural backdoors even in the one-shot setting. The key idea behind our method is to formulate this into a min-max optimization problem: first, adversarially recover the trigger patterns and then (soft) mask the network weights that are sensitive to the recovered patterns. Comprehensive evaluations of several benchmark datasets suggest that AWM can largely improve the purifying effects over other state-of-the-art methods on various available training dataset sizes.
Revisiting Neural Scaling Laws in Language and Vision
Venue: Conference NeurIPS 2022
Year: 2022

The remarkable progress in deep learning in recent years is largely driven by improvements in scale, where bigger models are trained on larger datasets for longer schedules. To predict the benefit of scale empirically, we argue for a more rigorous methodology based on the extrapolation loss, instead of reporting the best-fitting (interpolating) parameters. We then present a recipe for estimating scaling law parameters reliably from learning curves. We demonstrate that it extrapolates more accurately than previous methods in a wide range of architecture families across several domains, including image classification, neural machine translation (NMT) and language modeling, in addition to tasks from the BIG-Bench evaluation benchmark. Finally, we release a benchmark dataset comprising of 90 evaluation tasks to facilitate research in this domain.
Efficient Phi-Regret Minimization in Extensive-Form Games via Online Mirror Descent
Venue: Conference NeurIPS 2022
Year: 2022

A conceptually appealing approach for learning Extensive-Form Games (EFGs) is to convert them to Normal-Form Games (NFGs). This approach enables us to directly translate state-of-the-art techniques and analyses in NFGs to learning EFGs, but typically suffers from computational intractability due to the exponential blow-up of the game size introduced by the conversion. In this paper, we address this problem in natural and important setups for the \emph{$Φ$-Hedge} algorithm -- A generic algorithm capable of learning a large class of equilibria for NFGs. We show that $Φ$-Hedge can be directly used to learn Nash Equilibria (zero-sum settings), Normal-Form Coarse Correlated Equilibria (NFCCE), and Extensive-Form Correlated Equilibria (EFCE) in EFGs. We prove that, in those settings, the \emph{$Φ$-Hedge} algorithms are equivalent to standard Online Mirror Descent (OMD) algorithms for EFGs with suitable dilated regularizers, and run in polynomial time. This new connection further allows us to design and analyze a new class of OMD algorithms based on modifying its log-partition function. In particular, we design an improved algorithm with balancing techniques that achieves a sharp $\widetilde{\mathcal{O}}(\sqrt{XAT})$ EFCE-regret under bandit-feedback in an EFG with $X$ information sets, $A$ actions, and $T$ episodes. To our best knowledge, this is the first such rate and matches the information-theoretic lower bound.
Active Learning Through a Covering Lens
Venue: Conference NeurIPS 2022
Year: 2022

Deep active learning aims to reduce the annotation cost for the training of deep models, which is notoriously data-hungry. Until recently, deep active learning methods were ineffectual in the low-budget regime, where only a small number of examples are annotated. The situation has been alleviated by recent advances in representation and self-supervised learning, which impart the geometry of the data representation with rich information about the points. Taking advantage of this progress, we study the problem of subset selection for annotation through a "covering" lens, proposing ProbCover - a new active learning algorithm for the low budget regime, which seeks to maximize Probability Coverage. We then describe a dual way to view the proposed formulation, from which one can derive strategies suitable for the high budget regime of active learning, related to existing methods like Coreset. We conclude with extensive experiments, evaluating ProbCover in the low-budget regime. We show that our principled active learning strategy improves the state-of-the-art in the low-budget regime in several image recognition benchmarks. This method is especially beneficial in the semi-supervised setting, allowing state-of-the-art semi-supervised methods to match the performance of fully supervised methods, while using much fewer labels nonetheless. Code is available at https://github.com/avihu111/TypiClust.
A general approximation lower bound in $L^p$ norm, with applications to feed-forward neural networks
Venue: Conference NeurIPS 2022
Year: 2022

We study the fundamental limits to the expressive power of neural networks. Given two sets $F$, $G$ of real-valued functions, we first prove a general lower bound on how well functions in $F$ can be approximated in $L^p(μ)$ norm by functions in $G$, for any $p \geq 1$ and any probability measure $μ$. The lower bound depends on the packing number of $F$, the range of $F$, and the fat-shattering dimension of $G$. We then instantiate this bound to the case where $G$ corresponds to a piecewise-polynomial feed-forward neural network, and describe in details the application to two sets $F$: H{ö}lder balls and multivariate monotonic functions. Beside matching (known or new) upper bounds up to log factors, our lower bounds shed some light on the similarities or differences between approximation in $L^p$ norm or in sup norm, solving an open question by DeVore et al. (2021). Our proof strategy differs from the sup norm case and uses a key probability result of Mendelson (2002).