mtybilly/Instruct2DS huggingface dataset:
NISPA: Neuro-Inspired Stability-Plasticity Adaptation for Continual Learning in Sparse Networks
Authors: Mustafa B Gurbuz, Constantine Dovrolis
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: The goal of continual learning (CL) is to learn different tasks over time. The main desiderata associated with CL are to maintain performance on older tasks, leverage the latter to improve learning of future tasks, and to introduce minimal overhead in the training process (for instance, to not require a growing model or retraining). We propose the Neuro-Inspired Stability-Plasticity Adaptation (NISPA) architecture that addresses these desiderata through a sparse neural network with fixed density. NISPA forms stable paths to preserve learned knowledge from older tasks. Also, NISPA uses connection rewiring to create new plastic paths that reuse existing knowledge on novel tasks. Our extensive evaluation on EMNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets shows that NISPA significantly outperforms representative state-of-the-art continual learning baselines, and it uses up to ten times fewer learnable parameters compared to baselines. We also make the case that sparsity is an essential ingredient for continual learning. The NISPA code is available at https://github.com/BurakGurbuz97/NISPA.
Active Learning on a Budget: Opposite Strategies Suit High and Low Budgets
Authors: Guy Hacohen, Avihu Dekel, Daphna Weinshall
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Investigating active learning, we focus on the relation between the number of labeled examples (budget size), and suitable querying strategies. Our theoretical analysis shows a behavior reminiscent of phase transition: typical examples are best queried when the budget is low, while unrepresentative examples are best queried when the budget is large. Combined evidence shows that a similar phenomenon occurs in common classification models. Accordingly, we propose TypiClust – a deep active learning strategy suited for low budgets. In a comparative empirical investigation of supervised learning, using a variety of architectures and image datasets, TypiClust outperforms all other active learning strategies in the low-budget regime. Using TypiClust in the semi-supervised framework, performance gets an even more significant boost. In particular, state-of-the-art semi-supervised methods trained on CIFAR-10 with 10 labeled examples selected by TypiClust, reach 93.2% accuracy – an improvement of 39.4% over random selection. Code is available at https://github.com/avihu111/TypiClust.
You Only Cut Once: Boosting Data Augmentation with a Single Cut
Authors: Junlin Han, Pengfei Fang, Weihao Li, Jie Hong, Mohammad Ali Armin, Ian Reid, Lars Petersson, Hongdong Li
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We present You Only Cut Once (YOCO) for performing data augmentations. YOCO cuts one image into two pieces and performs data augmentations individually within each piece. Applying YOCO improves the diversity of the augmentation per sample and encourages neural networks to recognize objects from partial information. YOCO enjoys the properties of parameter-free, easy usage, and boosting almost all augmentations for free. Thorough experiments are conducted to evaluate its effectiveness. We first demonstrate that YOCO can be seamlessly applied to varying data augmentations, neural network architectures, and brings performance gains on CIFAR and ImageNet classification tasks, sometimes surpassing conventional image-level augmentation by large margins. Moreover, we show YOCO benefits contrastive pre-training toward a more powerful representation that can be better transferred to multiple downstream tasks. Finally, we study a number of variants of YOCO and empirically analyze the performance for respective settings.
Scalable MCMC Sampling for Nonsymmetric Determinantal Point Processes
Authors: Insu Han, Mike Gartrell, Elvis Dohmatob, Amin Karbasi
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: A determinantal point process (DPP) is an elegant model that assigns a probability to every subset of a collection of $n$ items. While conventionally a DPP is parameterized by a symmetric kernel matrix, removing this symmetry constraint, resulting in nonsymmetric DPPs (NDPPs), leads to significant improvements in modeling power and predictive performance. Recent work has studied an approximate Markov chain Monte Carlo (MCMC) sampling algorithm for NDPPs restricted to size-$k$ subsets (called $k$-NDPPs). However, the runtime of this approach is quadratic in $n$, making it infeasible for large-scale settings. In this work, we develop a scalable MCMC sampling algorithm for $k$-NDPPs with low-rank kernels, thus enabling runtime that is sublinear in $n$. Our method is based on a state-of-the-art NDPP rejection sampling algorithm, which we enhance with a novel approach for efficiently constructing the proposal distribution. Furthermore, we extend our scalable $k$-NDPP sampling algorithm to NDPPs without size constraints. Our resulting sampling method has polynomial time complexity in the rank of the kernel, while the existing approach has runtime that is exponential in the rank. With both a theoretical analysis and experiments on real-world datasets, we verify that our scalable approximate sampling algorithms are orders of magnitude faster than existing sampling approaches for $k$-NDPPs and NDPPs.
G-Mixup: Graph Data Augmentation for Graph Classification
Authors: Xiaotian Han, Zhimeng Jiang, Ninghao Liu, Xia Hu
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: This work develops mixup for graph data. Mixup has shown superiority in improving the generalization and robustness of neural networks by interpolating features and labels between two random samples. Traditionally, Mixup can work on regular, grid-like, and Euclidean data such as image or tabular data. However, it is challenging to directly adopt Mixup to augment graph data because different graphs typically: 1) have different numbers of nodes; 2) are not readily aligned; and 3) have unique typologies in non-Euclidean space. To this end, we propose G-Mixup to augment graphs for graph classification by interpolating the generator (i.e., graphon) of different classes of graphs. Specifically, we first use graphs within the same class to estimate a graphon. Then, instead of directly manipulating graphs, we interpolate graphons of different classes in the Euclidean space to get mixed graphons, where the synthetic graphs are generated through sampling based on the mixed graphons. Extensive experiments show that G-Mixup substantially improves the generalization and robustness of GNNs.
Private Streaming SCO in $\ell_p$ geometry with Applications in High Dimensional Online Decision Making
Authors: Yuxuan Han, Zhicong Liang, Zhipeng Liang, Yang Wang, Yuan Yao, Jiheng Zhang
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Differentially private (DP) stochastic convex optimization (SCO) is ubiquitous in trustworthy machine learning algorithm design. This paper studies the DP-SCO problem with streaming data sampled from a distribution and arrives sequentially. We also consider the continual release model where parameters related to private information are updated and released upon each new data. Numerous algorithms have been developed to achieve optimal excess risks in different $\ell_p$ norm geometries, but none of the existing ones can be adapted to the streaming and continual release setting. We propose a private variant of the Frank-Wolfe algorithm with recursive gradients for variance reduction to update and reveal the parameters upon each data. Combined with the adaptive DP analysis, our algorithm achieves the first optimal excess risk in linear time in the case $1<płeq 2$ and the state-of-the-art excess risk meeting the non-private lower ones when $2<płeq ınfty$. Our algorithm can also be extended to the case $p=1$ to achieve nearly dimension-independent excess risk. While previous variance reduction results on recursive gradient have theoretical guarantee only in the i.i.d. setting, we establish such a guarantee in a non-stationary setting. To demonstrate the virtues of our method, we design the first DP algorithm for high-dimensional generalized linear bandits with logarithmic regret.
Off-Policy Reinforcement Learning with Delayed Rewards
Authors: Beining Han, Zhizhou Ren, Zuofan Wu, Yuan Zhou, Jian Peng
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We study deep reinforcement learning (RL) algorithms with delayed rewards. In many real-world tasks, instant rewards are often not readily accessible or even defined immediately after the agent performs actions. In this work, we first formally define the environment with delayed rewards and discuss the challenges raised due to the non-Markovian nature of such environments. Then, we introduce a general off-policy RL framework with a new Q-function formulation that can handle the delayed rewards with theoretical convergence guarantees. For practical tasks with high dimensional state spaces, we further introduce the HC-decomposition rule of the Q-function in our framework which naturally leads to an approximation scheme that helps boost the training efficiency and stability. We finally conduct extensive experiments to demonstrate the superior performance of our algorithms over the existing work and their variants.
Adversarial Attacks on Gaussian Process Bandits
Authors: Eric Han, Jonathan Scarlett
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Gaussian processes (GP) are a widely-adopted tool used to sequentially optimize black-box functions, where evaluations are costly and potentially noisy. Recent works on GP bandits have proposed to move beyond random noise and devise algorithms robust to adversarial attacks. This paper studies this problem from the attacker’s perspective, proposing various adversarial attack methods with differing assumptions on the attacker’s strength and prior information. Our goal is to understand adversarial attacks on GP bandits from theoretical and practical perspectives. We focus primarily on targeted attacks on the popular GP-UCB algorithm and a related elimination-based algorithm, based on adversarially perturbing the function f to produce another function f  whose optima are in some target region. Based on our theoretical analysis, we devise both white-box attacks (known f) and black-box attacks (unknown f), with the former including a Subtraction attack and Clipping attack, and the latter including an Aggressive subtraction attack. We demonstrate that adversarial attacks on GP bandits can succeed in forcing the algorithm towards the target region even with a low attack budget, and we test our attacks’ effectiveness on a diverse range of objective functions.
Random Gegenbauer Features for Scalable Kernel Methods
Authors: Insu Han, Amir Zandieh, Haim Avron
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We propose efficient random features for approximating a new and rich class of kernel functions that we refer to as Generalized Zonal Kernels (GZK). Our proposed GZK family, generalizes the zonal kernels (i.e., dot-product kernels on the unit sphere) by introducing radial factors in the Gegenbauer series expansion of these kernel functions. The GZK class of kernels includes a wide range of ubiquitous kernel functions such as the entirety of dot-product kernels as well as the Gaussian and the recently introduced Neural Tangent kernels. Interestingly, by exploiting the reproducing property of the Gegenbauer (Zonal) Harmonics, we can construct efficient random features for the GZK family based on randomly oriented Gegenbauer harmonics. We prove subspace embedding guarantees for our Gegenbauer features which ensures that our features can be used for approximately solving learning problems such as kernel k-means clustering, kernel ridge regression, etc. Empirical results show that our proposed features outperform recent kernel approximation methods.
Stochastic Reweighted Gradient Descent
Authors: Ayoub El Hanchi, David Stephens, Chris Maddison
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Importance sampling is a promising strategy for improving the convergence rate of stochastic gradient methods. It is typically used to precondition the optimization problem, but it can also be used to reduce the variance of the gradient estimator. Unfortunately, this latter point of view has yet to lead to practical methods that provably improve the asymptotic error of stochastic gradient methods. In this work, we propose stochastic reweighted gradient descent (SRG), a stochastic gradient method based solely on importance sampling that can reduce the variance of the gradient estimator and improve on the asymptotic error of stochastic gradient descent (SGD) in the strongly convex and smooth case. We show that SRG can be extended to combine the benefits of both importance-sampling-based preconditioning and variance reduction. When compared to SGD, the resulting algorithm can simultaneously reduce the condition number and the asymptotic error, both by up to a factor equal to the number of component functions. We demonstrate improved convergence in practice on regularized logistic regression problems.
Dual Perspective of Label-Specific Feature Learning for Multi-Label Classification
Authors: Jun-Yi Hang, Min-Ling Zhang
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Label-specific features serve as an effective strategy to facilitate multi-label classification, which account for the distinct discriminative properties of each class label via tailoring its own features. Existing approaches implement this strategy in a quite straightforward way, i.e. finding the most pertinent and discriminative features for each class label and directly inducing classifiers on constructed label-specific features. In this paper, we propose a dual perspective for label-specific feature learning, where label-specific discriminative properties are considered by identifying each label’s own non-informative features and making the discrimination process immutable to variations of these features. To instantiate it, we present a perturbation-based approach DELA to provide classifiers with label-specific immutability on simultaneously identified non-informative features, which is optimized towards a probabilistically-relaxed expected risk minimization problem. Comprehensive experiments on 10 benchmark data sets show that our approach outperforms the state-of-the-art counterparts.
Temporal Difference Learning for Model Predictive Control
Authors: Nicklas A Hansen, Hao Su, Xiaolong Wang
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Data-driven model predictive control has two key advantages over model-free methods: a potential for improved sample efficiency through model learning, and better performance as computational budget for planning increases. However, it is both costly to plan over long horizons and challenging to obtain an accurate model of the environment. In this work, we combine the strengths of model-free and model-based methods. We use a learned task-oriented latent dynamics model for local trajectory optimization over a short horizon, and use a learned terminal value function to estimate long-term return, both of which are learned jointly by temporal difference learning. Our method, TD-MPC, achieves superior sample efficiency and asymptotic performance over prior work on both state and image-based continuous control tasks from DMControl and Meta-World. Code and videos are available at https://nicklashansen.github.io/td-mpc.
Bisimulation Makes Analogies in Goal-Conditioned Reinforcement Learning
Authors: Philippe Hansen-Estruch, Amy Zhang, Ashvin Nair, Patrick Yin, Sergey Levine
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Building generalizable goal-conditioned agents from rich observations is a key to reinforcement learning (RL) solving real world problems. Traditionally in goal-conditioned RL, an agent is provided with the exact goal they intend to reach. However, it is often not realistic to know the configuration of the goal before performing a task. A more scalable framework would allow us to provide the agent with an example of an analogous task, and have the agent then infer what the goal should be for its current state. We propose a new form of state abstraction called goal-conditioned bisimulation that captures functional equivariance, allowing for the reuse of skills to achieve new goals. We learn this representation using a metric form of this abstraction, and show its ability to generalize to new goals in real world manipulation tasks. Further, we prove that this learned representation is sufficient not only for goal-conditioned tasks, but is amenable to any downstream task described by a state-only reward function.
TURF: Two-Factor, Universal, Robust, Fast Distribution Learning Algorithm
Authors: Yi Hao, Ayush Jain, Alon Orlitsky, Vaishakh Ravindrakumar
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Approximating distributions from their samples is a canonical statistical-learning problem. One of its most powerful and successful modalities approximates every distribution to an $\ell_1$ distance essentially at most a constant times larger than its closest $t$-piece degree-$d$ polynomial, where $t\ge1$ and $d\ge0$. Letting $c_t,d$ denote the smallest such factor, clearly $c_1,0=1$, and it can be shown that $c_t,d\ge 2$ for all other $t$ and $d$. Yet current computationally efficient algorithms show only $c_t,1łe 2.25$ and the bound rises quickly to $c_t,dłe 3$ for $d\ge 9$. We derive a near-linear-time and essentially sample-optimal estimator that establishes $c_t,d=2$ for all $(t,d)\ne(1,0)$. Additionally, for many practical distributions, the lowest approximation distance is achieved by polynomials with vastly varying number of pieces. We provide a method that estimates this number near-optimally, hence helps approach the best possible approximation. Experiments combining the two techniques confirm improved performance over existing methodologies.
Contextual Information-Directed Sampling
Authors: Botao Hao, Tor Lattimore, Chao Qin
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Information-directed sampling (IDS) has recently demonstrated its potential as a data-efficient reinforcement learning algorithm. However, it is still unclear what is the right form of information ratio to optimize when contextual information is available. We investigate the IDS design through two contextual bandit problems: contextual bandits with graph feedback and sparse linear contextual bandits. We provably demonstrate the advantage of <em>contextual IDS</em> over <em>conditional IDS</em> and emphasize the importance of considering the context distribution. The main message is that an intelligent agent should invest more on the actions that are beneficial for the future unseen contexts while the conditional IDS can be myopic. We further propose a computationally-efficient version of contextual IDS based on Actor-Critic and evaluate it empirically on a neural network contextual bandit.
GSmooth: Certified Robustness against Semantic Transformations via Generalized Randomized Smoothing
Authors: Zhongkai Hao, Chengyang Ying, Yinpeng Dong, Hang Su, Jian Song, Jun Zhu
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Certified defenses such as randomized smoothing have shown promise towards building reliable machine learning systems against $\ell_p$ norm bounded attacks. However, existing methods are insufficient or unable to provably defend against semantic transformations, especially those without closed-form expressions (such as defocus blur and pixelate), which are more common in practice and often unrestricted. To fill up this gap, we propose generalized randomized smoothing (GSmooth), a unified theoretical framework for certifying robustness against general semantic transformations via a novel dimension augmentation strategy. Under the GSmooth framework, we present a scalable algorithm that uses a surrogate image-to-image network to approximate the complex transformation. The surrogate model provides a powerful tool for studying the properties of semantic transformations and certifying robustness. Experimental results on several datasets demonstrate the effectiveness of our approach for robustness certification against multiple kinds of semantic transformations and corruptions, which is not achievable by the alternative baselines.
Implicit Regularization with Polynomial Growth in Deep Tensor Factorization
Authors: Kais Hariz, Hachem Kadri, Stephane Ayache, Maher Moakher, Thierry Artieres
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We study the implicit regularization effects of deep learning in tensor factorization. While implicit regularization in deep matrix and ’shallow’ tensor factorization via linear and certain type of non-linear neural networks promotes low-rank solutions with at most quadratic growth, we show that its effect in deep tensor factorization grows polynomially with the depth of the network. This provides a remarkably faithful description of the observed experimental behaviour. Using numerical experiments, we demonstrate the benefits of this implicit regularization in yielding a more accurate estimation and better convergence properties.
Strategic Instrumental Variable Regression: Recovering Causal Relationships From Strategic Responses
Authors: Keegan Harris, Dung Daniel T Ngo, Logan Stapleton, Hoda Heidari, Steven Wu
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: In settings where Machine Learning (ML) algorithms automate or inform consequential decisions about people, individual decision subjects are often incentivized to strategically modify their observable attributes to receive more favorable predictions. As a result, the distribution the assessment rule is trained on may differ from the one it operates on in deployment. While such distribution shifts, in general, can hinder accurate predictions, our work identifies a unique opportunity associated with shifts due to strategic responses: We show that we can use strategic responses effectively to recover causal relationships between the observable features and outcomes we wish to predict, even under the presence of unobserved confounding variables. Specifically, our work establishes a novel connection between strategic responses to ML models and instrumental variable (IV) regression by observing that the sequence of deployed models can be viewed as an instrument that affects agents’ observable features but does not directly influence their outcomes. We show that our causal recovery method can be utilized to improve decision-making across several important criteria: individual fairness, agent outcomes, and predictive risk. In particular, we show that if decision subjects differ in their ability to modify non-causal attributes, any decision rule deviating from the causal coefficients can lead to (potentially unbounded) individual-level unfairness. .
C*-algebra Net: A New Approach Generalizing Neural Network Parameters to C*-algebra
Authors: Yuka Hashimoto, Zhao Wang, Tomoko Matsui
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We propose a new framework that generalizes the parameters of neural network models to $C^*$-algebra-valued ones. $C^*$-algebra is a generalization of the space of complex numbers. A typical example is the space of continuous functions on a compact space. This generalization enables us to combine multiple models continuously and use tools for functions such as regression and integration. Consequently, we can learn features of data efficiently and adapt the models to problems continuously. We apply our framework to practical problems such as density estimation and few-shot learning and show that our framework enables us to learn features of data even with a limited number of samples. Our new framework highlights the potential possibility of applying the theory of $C^*$-algebra to general neural network models.
General-purpose, long-context autoregressive modeling with Perceiver AR
Authors: Curtis Hawthorne, Andrew Jaegle, Cătălina Cangea, Sebastian Borgeaud, Charlie Nash, Mateusz Malinowski, Sander Dieleman, Oriol Vinyals, Matthew Botvinick, Ian Simon, Hannah Sheahan, Neil Zeghidour, Jean-Baptiste Alayrac, Joao Carreira, Jesse Engel
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Real-world data is high-dimensional: a book, image, or musical performance can easily contain hundreds of thousands of elements even after compression. However, the most commonly used autoregressive models, Transformers, are prohibitively expensive to scale to the number of inputs and layers needed to capture this long-range structure. We develop Perceiver AR, an autoregressive, modality-agnostic architecture which uses cross-attention to map long-range inputs to a small number of latents while also maintaining end-to-end causal masking. Perceiver AR can directly attend to over a hundred thousand tokens, enabling practical long-context density estimation without the need for hand-crafted sparsity patterns or memory mechanisms. When trained on images or music, Perceiver AR generates outputs with clear long-term coherence and structure. Our architecture also obtains state-of-the-art likelihood on long-sequence benchmarks, including 64x64 ImageNet images and PG-19 books.
On Distribution Shift in Learning-based Bug Detectors
Authors: Jingxuan He, Luca Beurer-Kellner, Martin Vechev
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Deep learning has recently achieved initial success in program analysis tasks such as bug detection. Lacking real bugs, most existing works construct training and test data by injecting synthetic bugs into correct programs. Despite achieving high test accuracy (e.g., >90%), the resulting bug detectors are found to be surprisingly unusable in practice, i.e., <10% precision when used to scan real software repositories. In this work, we argue that this massive performance difference is caused by a distribution shift, i.e., a fundamental mismatch between the real bug distribution and the synthetic bug distribution used to train and evaluate the detectors. To address this key challenge, we propose to train a bug detector in two phases, first on a synthetic bug distribution to adapt the model to the bug detection domain, and then on a real bug distribution to drive the model towards the real distribution. During these two phases, we leverage a multi-task hierarchy, focal loss, and contrastive learning to further boost performance. We evaluate our approach extensively on three widely studied bug types, for which we construct new datasets carefully designed to capture the real bug distribution. The results demonstrate that our approach is practically effective and successfully mitigates the distribution shift: our learned detectors are highly performant on both our test set and the latest version of open source repositories. Our code, datasets, and models are publicly available at https://github.com/eth-sri/learning-real-bug-detector.
GNNRank: Learning Global Rankings from Pairwise Comparisons via Directed Graph Neural Networks
Authors: Yixuan He, Quan Gan, David Wipf, Gesine D Reinert, Junchi Yan, Mihai Cucuringu
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Recovering global rankings from pairwise comparisons has wide applications from time synchronization to sports team ranking. Pairwise comparisons corresponding to matches in a competition can be construed as edges in a directed graph (digraph), whose nodes represent e.g. competitors with an unknown rank. In this paper, we introduce neural networks into the ranking recovery problem by proposing the so-called GNNRank, a trainable GNN-based framework with digraph embedding. Moreover, new objectives are devised to encode ranking upsets/violations. The framework involves a ranking score estimation approach, and adds an inductive bias by unfolding the Fiedler vector computation of the graph constructed from a learnable similarity matrix. Experimental results on extensive data sets show that our methods attain competitive and often superior performance against baselines, as well as showing promising transfer ability. Codes and preprocessed data are at: r̆lhttps://github.com/SherylHYX/GNNRank.
Exploring the Gap between Collapsed & Whitened Features in Self-Supervised Learning
Authors: Bobby He, Mete Ozay
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Avoiding feature collapse, when a Neural Network (NN) encoder maps all inputs to a constant vector, is a shared implicit desideratum of various methodological advances in self-supervised learning (SSL). To that end, whitened features have been proposed as an explicit objective to ensure uncollapsed features i̧tezbontar2021barlow,ermolov2021whitening,hua2021feature,bardes2022vicreg. We identify power law behaviour in eigenvalue decay, parameterised by exponent $β≥0$, as a spectrum that bridges between the collapsed & whitened feature extremes. We provide theoretical & empirical evidence highlighting the factors in SSL, like projection layers & regularisation strength, that influence eigenvalue decay rate, & demonstrate that the degree of feature whitening affects generalisation, particularly in label scarce regimes. We use our insights to motivate a novel method, PMP (PostMan-Pat), which efficiently post-processes a pretrained encoder to enforce eigenvalue decay rate with power law exponent $β$, & find that PostMan-Pat delivers improved label efficiency and transferability across a range of SSL methods and encoder architectures.
Sparse Double Descent: Where Network Pruning Aggravates Overfitting
Authors: Zheng He, Zeke Xie, Quanzhi Zhu, Zengchang Qin
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: People usually believe that network pruning not only reduces the computational cost of deep networks, but also prevents overfitting by decreasing model capacity. However, our work surprisingly discovers that network pruning sometimes even aggravates overfitting. We report an unexpected sparse double descent phenomenon that, as we increase model sparsity via network pruning, test performance first gets worse (due to overfitting), then gets better (due to relieved overfitting), and gets worse at last (due to forgetting useful information). While recent studies focused on the deep double descent with respect to model overparameterization, they failed to recognize that sparsity may also cause double descent. In this paper, we have three main contributions. First, we report the novel sparse double descent phenomenon through extensive experiments. Second, for this phenomenon, we propose a novel learning distance interpretation that the curve of l2 learning distance of sparse models (from initialized parameters to final parameters) may correlate with the sparse double descent curve well and reflect generalization better than minima flatness. Third, in the context of sparse double descent, a winning ticket in the lottery ticket hypothesis surprisingly may not always win.
A Reduction from Linear Contextual Bandit Lower Bounds to Estimation Lower Bounds
Authors: Jiahao He, Jiheng Zhang, Rachel Q. Zhang
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Linear contextual bandits and their variants are usually solved using algorithms guided by parameter estimation. Cauchy-Schwartz inequality established that estimation errors dominate algorithm regrets, and thus, accurate estimators suffice to guarantee algorithms with low regrets. In this paper, we complete the reverse direction by establishing the necessity. In particular, we provide a generic transformation from algorithms for linear contextual bandits to estimators for linear models, and show that algorithm regrets dominate estimation errors of their induced estimators, i.e., low-regret algorithms must imply accurate estimators. Moreover, our analysis reduces the regret lower bound to an estimation error, bridging the lower bound analysis in linear contextual bandit problems and linear regression.
HyperPrompt: Prompt-based Task-Conditioning of Transformers
Authors: Yun He, Steven Zheng, Yi Tay, Jai Gupta, Yu Du, Vamsi Aribandi, Zhe Zhao, Yaguang Li, Zhao Chen, Donald Metzler, Heng-Tze Cheng, Ed H. Chi
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Prompt-Tuning is a new paradigm for finetuning pre-trained language models in a parameter efficient way. Here, we explore the use of HyperNetworks to generate hyper-prompts: we propose HyperPrompt, a novel architecture for prompt-based task-conditioning of self-attention in Transformers. The hyper-prompts are end-to-end learnable via generation by a HyperNetwork. HyperPrompt allows the network to learn task-specific feature maps where the hyper-prompts serve as task global memories for the queries to attend to, at the same time enabling flexible information sharing among tasks. We show that HyperPrompt is competitive against strong multi-task learning baselines with as few as 0.14% of additional task-conditioning parameters, achieving great parameter and computational efficiency. Through extensive empirical experiments, we demonstrate that HyperPrompt can achieve superior performances over strong T5 multi-task learning baselines and parameter-efficient adapter variants including Prompt-Tuning and HyperFormer++ on Natural Language Understanding benchmarks of GLUE and SuperGLUE across many model sizes.
Label-Descriptive Patterns and Their Application to Characterizing Classification Errors
Authors: Michael A. Hedderich, Jonas Fischer, Dietrich Klakow, Jilles Vreeken
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: State-of-the-art deep learning methods achieve human-like performance on many tasks, but make errors nevertheless. Characterizing these errors in easily interpretable terms gives insight into whether a classifier is prone to making systematic errors, but also gives a way to act and improve the classifier. We propose to discover those feature-value combinations (i.e., patterns) that strongly correlate with correct resp. erroneous predictions to obtain a global and interpretable description for arbitrary classifiers. We show this is an instance of the more general label description problem, which we formulate in terms of the Minimum Description Length principle. To discover a good pattern set, we develop the efficient Premise algorithm. Through an extensive set of experiments we show it performs very well in practice on both synthetic and real-world data. Unlike existing solutions, it ably recovers ground truth patterns, even on highly imbalanced data over many features. Through two case studies on Visual Question Answering and Named Entity Recognition, we confirm that Premise gives clear and actionable insight into the systematic errors made by modern NLP classifiers.
NOMU: Neural Optimization-based Model Uncertainty
Authors: Jakob M Heiss, Jakob Weissteiner, Hanna S Wutte, Sven Seuken, Josef Teichmann
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We study methods for estimating model uncertainty for neural networks (NNs) in regression. To isolate the effect of model uncertainty, we focus on a noiseless setting with scarce training data. We introduce five important desiderata regarding model uncertainty that any method should satisfy. However, we find that established benchmarks often fail to reliably capture some of these desiderata, even those that are required by Bayesian theory. To address this, we introduce a new approach for capturing model uncertainty for NNs, which we call Neural Optimization-based Model Uncertainty (NOMU). The main idea of NOMU is to design a network architecture consisting of two connected sub-NNs, one for model prediction and one for model uncertainty, and to train it using a carefully-designed loss function. Importantly, our design enforces that NOMU satisfies our five desiderata. Due to its modular architecture, NOMU can provide model uncertainty for any given (previously trained) NN if given access to its training data. We evaluate NOMU in various regressions tasks and noiseless Bayesian optimization (BO) with costly evaluations. In regression, NOMU performs at least as well as state-of-the-art methods. In BO, NOMU even outperforms all considered benchmarks.
Scaling Out-of-Distribution Detection for Real-World Settings
Authors: Dan Hendrycks, Steven Basart, Mantas Mazeika, Andy Zou, Joseph Kwon, Mohammadreza Mostajabi, Jacob Steinhardt, Dawn Song
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Detecting out-of-distribution examples is important for safety-critical machine learning applications such as detecting novel biological phenomena and self-driving cars. However, existing research mainly focuses on simple small-scale settings. To set the stage for more realistic out-of-distribution detection, we depart from small-scale settings and explore large-scale multiclass and multi-label settings with high-resolution images and thousands of classes. To make future work in real-world settings possible, we create new benchmarks for three large-scale settings. To test ImageNet multiclass anomaly detectors, we introduce the Species dataset containing over 700,000 images and over a thousand anomalous species. We leverage ImageNet-21K to evaluate PASCAL VOC and COCO multilabel anomaly detectors. Third, we introduce a new benchmark for anomaly segmentation by introducing a segmentation benchmark with road anomalies. We conduct extensive experiments in these more realistic settings for out-of-distribution detection and find that a surprisingly simple detector based on the maximum logit outperforms prior methods in all the large-scale multi-class, multi-label, and segmentation tasks, establishing a simple new baseline for future work.
Generalization Bounds using Lower Tail Exponents in Stochastic Optimizers
Authors: Liam Hodgkinson, Umut Simsekli, Rajiv Khanna, Michael Mahoney
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Despite the ubiquitous use of stochastic optimization algorithms in machine learning, the precise impact of these algorithms and their dynamics on generalization performance in realistic non-convex settings is still poorly understood. While recent work has revealed connections between generalization and heavy-tailed behavior in stochastic optimization, they mainly relied on continuous-time approximations; and a rigorous treatment for the original discrete-time iterations is yet to be performed. To bridge this gap, we present novel bounds linking generalization to the lower tail exponent of the transition kernel associated with the optimizer around a local minimum, in both discrete- and continuous-time settings. To achieve this, we first prove a data- and algorithm-dependent generalization bound in terms of the celebrated Fernique-Talagrand functional applied to the trajectory of the optimizer. Then, we specialize this result by exploiting the Markovian structure of stochastic optimizers, and derive bounds in terms of their (data-dependent) transition kernels. We support our theory with empirical results from a variety of neural networks, showing correlations between generalization error and lower tail exponents.
Unsupervised Detection of Contextualized Embedding Bias with Application to Ideology
Authors: Valentin Hofmann, Janet Pierrehumbert, Hinrich Schütze
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: We propose a fully unsupervised method to detect bias in contextualized embeddings. The method leverages the assortative information latently encoded by social networks and combines orthogonality regularization, structured sparsity learning, and graph neural networks to find the embedding subspace capturing this information. As a concrete example, we focus on the phenomenon of ideological bias: we introduce the concept of an ideological subspace, show how it can be found by applying our method to online discussion forums, and present techniques to probe it. Our experiments suggest that the ideological subspace encodes abstract evaluative semantics and reflects changes in the political left-right spectrum during the presidency of Donald Trump.
Neural Laplace: Learning diverse classes of differential equations in the Laplace domain
Authors: Samuel I Holt, Zhaozhi Qian, Mihaela van der Schaar
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Neural Ordinary Differential Equations model dynamical systems with ODEs learned by neural networks. However, ODEs are fundamentally inadequate to model systems with long-range dependencies or discontinuities, which are common in engineering and biological systems. Broader classes of differential equations (DE) have been proposed as remedies, including delay differential equations and integro-differential equations. Furthermore, Neural ODE suffers from numerical instability when modelling stiff ODEs and ODEs with piecewise forcing functions. In this work, we propose Neural Laplace, a unifying framework for learning diverse classes of DEs including all the aforementioned ones. Instead of modelling the dynamics in the time domain, we model it in the Laplace domain, where the history-dependencies and discontinuities in time can be represented as summations of complex exponentials. To make learning more efficient, we use the geometrical stereographic map of a Riemann sphere to induce more smoothness in the Laplace domain. In the experiments, Neural Laplace shows superior performance in modelling and extrapolating the trajectories of diverse classes of DEs, including the ones with complex history dependency and abrupt changes.
Deep Hierarchy in Bandits
Authors: Joey Hong, Branislav Kveton, Sumeet Katariya, Manzil Zaheer, Mohammad Ghavamzadeh
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Mean rewards of actions are often correlated. The form of these correlations may be complex and unknown a priori, such as the preferences of users for recommended products and their categories. To maximize statistical efficiency, it is important to leverage these correlations when learning. We formulate a bandit variant of this problem where the correlations of mean action rewards are represented by a hierarchical Bayesian model with latent variables. Since the hierarchy can have multiple layers, we call it deep. We propose a hierarchical Thompson sampling algorithm (HierTS) for this problem and show how to implement it efficiently for Gaussian hierarchies. The efficient implementation is possible due to a novel exact hierarchical representation of the posterior, which itself is of independent interest. We use this exact posterior to analyze the Bayes regret of HierTS. Our regret bounds reflect the structure of the problem, that the regret decreases with more informative priors, and can be recast to highlight reduced dependence on the number of actions. We confirm these theoretical findings empirically, in both synthetic and real-world experiments.
DAdaQuant: Doubly-adaptive quantization for communication-efficient Federated Learning
Authors: Robert Hönig, Yiren Zhao, Robert Mullins
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: Federated Learning (FL) is a powerful technique to train a model on a server with data from several clients in a privacy-preserving manner. FL incurs significant communication costs because it repeatedly transmits the model between the server and clients. Recently proposed algorithms quantize the model parameters to efficiently compress FL communication. We find that dynamic adaptations of the quantization level can boost compression without sacrificing model quality. We introduce DAdaQuant as a doubly-adaptive quantization algorithm that dynamically changes the quantization level across time and different clients. Our experiments show that DAdaQuant consistently improves client$i̊ghtarrow$server compression, outperforming the strongest non-adaptive baselines by up to $2.8\times$.
Equivariant Diffusion for Molecule Generation in 3D
Authors: Emiel Hoogeboom, Víctor Garcia Satorras, Clément Vignac, Max Welling
Published in: Proceedings of the 39th International Conference on Machine Learning (Main Conference Track), 2022

Abstract: This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on both continuous (atom coordinates) and categorical features (atom types). In addition, we provide a probabilistic analysis which admits likelihood computation of molecules using our model. Experimentally, the proposed method significantly outperforms previous 3D molecular generative methods regarding the quality of generated samples and the efficiency at training time.