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Learning to Incorporate Texture Saliency Adaptive Attention to Image Cartoonization | null | Image cartoonization is recently dominated by generative adversarial networks (GANs) from the perspective of unsupervised image-to-image translation, in which an inherent challenge is to precisely capture and sufficiently transfer characteristic cartoon styles (e.g., clear edges, smooth color shading, vivid colors, etc.). Existing advanced models try to enhance cartoonization effect by learning to promote edges adversarially, introducing style transfer loss, or learning to align style from multiple representation space. This paper demonstrates that more distinct and vivid cartoonization effect could be easily achieved with only basic adversarial loss. Observing that cartoon style is more evident in cartoon-texture-salient local image regions, we build a region-level adversarial learning branch in parallel with the normal image-level one, which constrains adversarial learning on cartoon-texture-salient local patches for better perceiving and transferring cartoon texture features. To this end, a novel cartoon-texture-saliency-sampler (CTSS) module is proposed to adaptively sample cartoon-texture-salient patches from training data. We present that such texture saliency adaptive attention is of significant importance in facilitating and enhancing cartoon stylization, which is a key missing ingredient of related methods. The superiority of our model in promoting cartoonization effect, especially for high-resolution input images, are fully demonstrated with extensive experiments. | Xiang Gao, Yuqi Zhang, Yingjie Tian | null | null | 2,022 | icml |
Faster Privacy Accounting via Evolving Discretization | null | We introduce a new algorithm for numerical composition of privacy random variables, useful for computing the accurate differential privacy parameters for compositions of mechanisms. Our algorithm achieves a running time and memory usage of $polylog(k)$ for the task of self-composing a mechanism, from a broad class of mechanisms, $k$ times; this class, e.g., includes the sub-sampled Gaussian mechanism, that appears in the analysis of differentially private stochastic gradient descent (DP-SGD). By comparison, recent work by Gopi et al. (NeurIPS 2021) has obtained a running time of $\widetilde{O}(\sqrt{k})$ for the same task. Our approach extends to the case of composing $k$ different mechanisms in the same class, improving upon the running time and memory usage in their work from $\widetilde{O}(k^{1.5})$ to $\wtilde{O}(k)$. | Badih Ghazi, Pritish Kamath, Ravi Kumar, Pasin Manurangsi | null | null | 2,022 | icml |
Value Function based Difference-of-Convex Algorithm for Bilevel Hyperparameter Selection Problems | null | Existing gradient-based optimization methods for hyperparameter tuning can only guarantee theoretical convergence to stationary solutions when the bilevel program satisfies the condition that for fixed upper-level variables, the lower-level is strongly convex (LLSC) and smooth (LLS). This condition is not satisfied for bilevel programs arising from tuning hyperparameters in many machine learning algorithms. In this work, we develop a sequentially convergent Value Function based Difference-of-Convex Algorithm with inexactness (VF-iDCA). We then ask: can this algorithm achieve stationary solutions without LLSC and LLS assumptions? We provide a positive answer to this question for bilevel programs from a broad class of hyperparameter tuning applications. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed VF-iDCA when applied to tune hyperparameters. | Lucy L Gao, Jane Ye, Haian Yin, Shangzhi Zeng, Jin Zhang | null | null | 2,022 | icml |
Equivariance versus Augmentation for Spherical Images | null | We analyze the role of rotational equivariance in convolutional neural networks (CNNs) applied to spherical images. We compare the performance of the group equivariant networks known as S2CNNs and standard non-equivariant CNNs trained with an increasing amount of data augmentation. The chosen architectures can be considered baseline references for the respective design paradigms. Our models are trained and evaluated on single or multiple items from the MNIST- or FashionMNIST dataset projected onto the sphere. For the task of image classification, which is inherently rotationally invariant, we find that by considerably increasing the amount of data augmentation and the size of the networks, it is possible for the standard CNNs to reach at least the same performance as the equivariant network. In contrast, for the inherently equivariant task of semantic segmentation, the non-equivariant networks are consistently outperformed by the equivariant networks with significantly fewer parameters. We also analyze and compare the inference latency and training times of the different networks, enabling detailed tradeoff considerations between equivariant architectures and data augmentation for practical problems. | Jan Gerken, Oscar Carlsson, Hampus Linander, Fredrik Ohlsson, Christoffer Petersson, Daniel Persson | null | null | 2,022 | icml |
Breaking the $\sqrtT$ Barrier: Instance-Independent Logarithmic Regret in Stochastic Contextual Linear Bandits | null | We prove an instance independent (poly) logarithmic regret for stochastic contextual bandits with linear payoff. Previously, in \cite{chu2011contextual}, a lower bound of $\mathcal{O}(\sqrt{T})$ is shown for the contextual linear bandit problem with arbitrary (adversarily chosen) contexts. In this paper, we show that stochastic contexts indeed help to reduce the regret from $\sqrt{T}$ to $\polylog(T)$. We propose Low Regret Stochastic Contextual Bandits (\texttt{LR-SCB}), which takes advantage of the stochastic contexts and performs parameter estimation (in $\ell_2$ norm) and regret minimization simultaneously. \texttt{LR-SCB} works in epochs, where the parameter estimation of the previous epoch is used to reduce the regret of the current epoch. The (poly) logarithmic regret of \texttt{LR-SCB} stems from two crucial facts: (a) the application of a norm adaptive algorithm to exploit the parameter estimation and (b) an analysis of the shifted linear contextual bandit algorithm, showing that shifting results in increasing regret. We have also shown experimentally that stochastic contexts indeed incurs a regret that scales with $\polylog(T)$. | Avishek Ghosh, Abishek Sankararaman | null | null | 2,022 | icml |
Variational Inference with Locally Enhanced Bounds for Hierarchical Models | null | Hierarchical models represent a challenging setting for inference algorithms. MCMC methods struggle to scale to large models with many local variables and observations, and variational inference (VI) may fail to provide accurate approximations due to the use of simple variational families. Some variational methods (e.g. importance weighted VI) integrate Monte Carlo methods to give better accuracy, but these tend to be unsuitable for hierarchical models, as they do not allow for subsampling and their performance tends to degrade for high dimensional models. We propose a new family of variational bounds for hierarchical models, based on the application of tightening methods (e.g. importance weighting) separately for each group of local random variables. We show that our approach naturally allows the use of subsampling to get unbiased gradients, and that it fully leverages the power of methods that build tighter lower bounds by applying them independently in lower dimensional spaces, leading to better results and more accurate posterior approximations than relevant baselines. | Tomas Geffner, Justin Domke | null | null | 2,022 | icml |
How to Fill the Optimum Set? Population Gradient Descent with Harmless Diversity | null | Although traditional optimization methods focus on finding a single optimal solution, most objective functions in modern machine learning problems, especially those in deep learning, often have multiple or infinite number of optimal points. Therefore, it is useful to consider the problem of finding a set of diverse points in the optimum set of an objective function. In this work, we frame this problem as a bi-level optimization problem of maximizing a diversity score inside the optimum set of the main loss function, and solve it with a simple population gradient descent framework that iteratively updates the points to maximize the diversity score in a fashion that does not hurt the optimization of the main loss. We demonstrate that our method can efficiently generate diverse solutions on multiple applications, e.g. text-to-image generation, text-to-mesh generation, molecular conformation generation and ensemble neural network training. | Chengyue Gong, Lemeng Wu, Qiang Liu | null | null | 2,022 | icml |
Offline RL Policies Should Be Trained to be Adaptive | null | Offline RL algorithms must account for the fact that the dataset they are provided may leave many facets of the environment unknown. The most common way to approach this challenge is to employ pessimistic or conservative methods, which avoid behaviors that are too dissimilar from those in the training dataset. However, relying exclusively on conservatism has drawbacks: performance is sensitive to the exact degree of conservatism, and conservative objectives can recover highly suboptimal policies. In this work, we propose that offline RL methods should instead be adaptive in the presence of uncertainty. We show that acting optimally in offline RL in a Bayesian sense involves solving an implicit POMDP. As a result, optimal policies for offline RL must be adaptive, depending not just on the current state but rather all the transitions seen so far during evaluation. We present a model-free algorithm for approximating this optimal adaptive policy, and demonstrate the efficacy of learning such adaptive policies in offline RL benchmarks. | Dibya Ghosh, Anurag Ajay, Pulkit Agrawal, Sergey Levine | null | null | 2,022 | icml |
A Joint Exponential Mechanism For Differentially Private Top-$k$ | null | We present a differentially private algorithm for releasing the sequence of $k$ elements with the highest counts from a data domain of $d$ elements. The algorithm is a "joint" instance of the exponential mechanism, and its output space consists of all $O(d^k)$ length-$k$ sequences. Our main contribution is a method to sample this exponential mechanism in time $O(dk\log(k) + d\log(d))$ and space $O(dk)$. Experiments show that this approach outperforms existing pure differential privacy methods and improves upon even approximate differential privacy methods for moderate $k$. | Jennifer Gillenwater, Matthew Joseph, Andres Munoz, Monica Ribero Diaz | null | null | 2,022 | icml |
Blocks Assemble! Learning to Assemble with Large-Scale Structured Reinforcement Learning | null | Assembly of multi-part physical structures is both a valuable end product for autonomous robotics, as well as a valuable diagnostic task for open-ended training of embodied intelligent agents. We introduce a naturalistic physics-based environment with a set of connectable magnet blocks inspired by children’s toy kits. The objective is to assemble blocks into a succession of target blueprints. Despite the simplicity of this objective, the compositional nature of building diverse blueprints from a set of blocks leads to an explosion of complexity in structures that agents encounter. Furthermore, assembly stresses agents’ multi-step planning, physical reasoning, and bimanual coordination. We find that the combination of large-scale reinforcement learning and graph-based policies – surprisingly without any additional complexity – is an effective recipe for training agents that not only generalize to complex unseen blueprints in a zero-shot manner, but even operate in a reset-free setting without being trained to do so. Through extensive experiments, we highlight the importance of large-scale training, structured representations, contributions of multi-task vs. single-task learning, as well as the effects of curriculums, and discuss qualitative behaviors of trained agents. Our accompanying project webpage can be found at: https://sites.google.com/view/learning-direct-assembly/home | Seyed Kamyar Seyed Ghasemipour, Satoshi Kataoka, Byron David, Daniel Freeman, Shixiang Shane Gu, Igor Mordatch | null | null | 2,022 | icml |
Online Learning for Min Sum Set Cover and Pandora’s Box | null | Two central problems in Stochastic Optimization are Min-Sum Set Cover and Pandora’s Box. In Pandora’s Box, we are presented with n boxes, each containing an unknown value and the goal is to open the boxes in some order to minimize the sum of the search cost and the smallest value found. Given a distribution of value vectors, we are asked to identify a near-optimal search order. Min-Sum Set Cover corresponds to the case where values are either 0 or infinity. In this work, we study the case where the value vectors are not drawn from a distribution but are presented to a learner in an online fashion. We present a computationally efficient algorithm that is constant-competitive against the cost of the optimal search order. We extend our results to a bandit setting where only the values of the boxes opened are revealed to the learner after every round. We also generalize our results to other commonly studied variants of Pandora’s Box and Min-Sum Set Cover that involve selecting more than a single value subject to a matroid constraint. | Evangelia Gergatsouli, Christos Tzamos | null | null | 2,022 | icml |
Achieving Minimax Rates in Pool-Based Batch Active Learning | null | We consider a batch active learning scenario where the learner adaptively issues batches of points to a labeling oracle. Sampling labels in batches is highly desirable in practice due to the smaller number of interactive rounds with the labeling oracle (often human beings). However, batch active learning typically pays the price of a reduced adaptivity, leading to suboptimal results. In this paper we propose a solution which requires a careful trade off between the informativeness of the queried points and their diversity. We theoretically investigate batch active learning in the practically relevant scenario where the unlabeled pool of data is available beforehand (pool-based active learning). We analyze a novel stage-wise greedy algorithm and show that, as a function of the label complexity, the excess risk of this algorithm %operating in the realizable setting for which we prove matches the known minimax rates in standard statistical learning settings. Our results also exhibit a mild dependence on the batch size. These are the first theoretical results that employ careful trade offs between informativeness and diversity to rigorously quantify the statistical performance of batch active learning in the pool-based scenario. | Claudio Gentile, Zhilei Wang, Tong Zhang | null | null | 2,022 | icml |
Plug-In Inversion: Model-Agnostic Inversion for Vision with Data Augmentations | null | Existing techniques for model inversion typically rely on hard-to-tune regularizers, such as total variation or feature regularization, which must be individually calibrated for each network in order to produce adequate images. In this work, we introduce Plug-In Inversion, which relies on a simple set of augmentations and does not require excessive hyper-parameter tuning. Under our proposed augmentation-based scheme, the same set of augmentation hyper-parameters can be used for inverting a wide range of image classification models, regardless of input dimensions or the architecture. We illustrate the practicality of our approach by inverting Vision Transformers (ViTs) and Multi-Layer Perceptrons (MLPs) trained on the ImageNet dataset, tasks which to the best of our knowledge have not been successfully accomplished by any previous works. | Amin Ghiasi, Hamid Kazemi, Steven Reich, Chen Zhu, Micah Goldblum, Tom Goldstein | null | null | 2,022 | icml |
The State of Sparse Training in Deep Reinforcement Learning | null | The use of sparse neural networks has seen rapid growth in recent years, particularly in computer vision. Their appeal stems largely from the reduced number of parameters required to train and store, as well as in an increase in learning efficiency. Somewhat surprisingly, there have been very few efforts exploring their use in Deep Reinforcement Learning (DRL). In this work we perform a systematic investigation into applying a number of existing sparse training techniques on a variety of DRL agents and environments. Our results corroborate the findings from sparse training in the computer vision domain {–}sparse networks perform better than dense networks for the same parameter count{–} in the DRL domain. We provide detailed analyses on how the various components in DRL are affected by the use of sparse networks and conclude by suggesting promising avenues for improving the effectiveness of sparse training methods, as well as for advancing their use in DRL. | Laura Graesser, Utku Evci, Erich Elsen, Pablo Samuel Castro | null | null | 2,022 | icml |
Large-Scale Graph Neural Architecture Search | null | Graph Neural Architecture Search (GNAS) has become a powerful method in automatically discovering suitable Graph Neural Network (GNN) architectures for different tasks. However, existing approaches fail to handle large-scale graphs because current performance estimation strategies in GNAS are computationally expensive for large-scale graphs and suffer from consistency collapse issues. To tackle these problems, we propose the Graph ArchitectUre Search at Scale (GAUSS) method that can handle large-scale graphs by designing an efficient light-weight supernet and the joint architecture-graph sampling. In particular, a graph sampling-based single-path one-shot supernet is proposed to reduce the computation burden. To address the consistency collapse issues, we further explicitly consider the joint architecture-graph sampling through a novel architecture peer learning mechanism on the sampled sub-graphs and an architecture importance sampling algorithm. Our proposed framework is able to smooth the highly non-convex optimization objective and stabilize the architecture sampling process. We provide theoretical analyses on GAUSS and empirically evaluate it on five datasets whose vertex sizes range from 10^4 to 10^8. The experimental results demonstrate substantial improvements of GAUSS over other GNAS baselines on all datasets. To the best of our knowledge, the proposed GAUSS method is the first graph neural architecture search framework that can handle graphs with billions of edges within 1 GPU day. | Chaoyu Guan, Xin Wang, Hong Chen, Ziwei Zhang, Wenwu Zhu | null | null | 2,022 | icml |
Fast-Rate PAC-Bayesian Generalization Bounds for Meta-Learning | null | PAC-Bayesian error bounds provide a theoretical guarantee on the generalization abilities of meta-learning from training tasks to unseen tasks. However, it is still unclear how tight PAC-Bayesian bounds we can achieve for meta-learning. In this work, we propose a general PAC-Bayesian framework to cope with single-task learning and meta-learning uniformly. With this framework, we generalize the two tightest PAC-Bayesian bounds (i.e., kl-bound and Catoni-bound) from single-task learning to standard meta-learning, resulting in fast convergence rates for PAC-Bayesian meta-learners. By minimizing the derived two bounds, we develop two meta-learning algorithms for classification problems with deep neural networks. For regression problems, by setting Gibbs optimal posterior for each training task, we obtain the closed-form formula of the minimizer of our Catoni-bound, leading to an efficient Gibbs meta-learning algorithm. Although minimizing our kl-bound can not yield a closed-form solution, we show that it can be extended for analyzing the more challenging meta-learning setting where samples from different training tasks exhibit interdependencies. Experiments empirically show that our proposed meta-learning algorithms achieve competitive results with respect to latest works. | Jiechao Guan, Zhiwu Lu | null | null | 2,022 | icml |
RankSim: Ranking Similarity Regularization for Deep Imbalanced Regression | null | Data imbalance, in which a plurality of the data samples come from a small proportion of labels, poses a challenge in training deep neural networks. Unlike classification, in regression the labels are continuous, potentially boundless, and form a natural ordering. These distinct features of regression call for new techniques that leverage the additional information encoded in label-space relationships. This paper presents the RankSim (ranking similarity) regularizer for deep imbalanced regression, which encodes an inductive bias that samples that are closer in label space should also be closer in feature space. In contrast to recent distribution smoothing based approaches, RankSim captures both nearby and distant relationships: for a given data sample, RankSim encourages the sorted list of its neighbors in label space to match the sorted list of its neighbors in feature space. RankSim is complementary to conventional imbalanced learning techniques, including re-weighting, two-stage training, and distribution smoothing, and lifts the state-of-the-art performance on three imbalanced regression benchmarks: IMDB-WIKI-DIR, AgeDB-DIR, and STS-B-DIR. | Yu Gong, Greg Mori, Fred Tung | null | null | 2,022 | icml |
Adapting k-means Algorithms for Outliers | null | This paper shows how to adapt several simple and classical sampling-based algorithms for the k-means problem to the setting with outliers. Recently, Bhaskara et al. (NeurIPS 2019) showed how to adapt the classical k-means++ algorithm to the setting with outliers. However, their algorithm needs to output O(log(k)$\cdot$z) outliers, where z is the number of true outliers, to match the O(log k)-approximation guarantee of k-means++. In this paper, we build on their ideas and show how to adapt several sequential and distributed k-means algorithms to the setting with outliers, but with substantially stronger theoretical guarantees: our algorithms output (1 + $\epsilon$)z outliers while achieving an O(1/$\epsilon$)-approximation to the objective function. In the sequential world, we achieve this by adapting a recent algorithm of Lattanzi and Sohler (ICML 2019). In the distributed setting, we adapt a simple algorithm of Guha et al. (IEEE Trans. Know. and Data Engineering 2003) and the popular k-means\|{of} Bahmani et al. (PVLDB2012). A theoretical application of our techniques is an algorithm with running time O(nk^2/z) that achieves an O(1)-approximation to the objective function while outputting O(z) outliers, assuming k << z << n. This is complemented with a matching lower bound of $\Omega$(nk^2/z) for this problem in the oracle model. | Christoph Grunau, Václav Rozhoň | null | null | 2,022 | icml |
Retrieval-Augmented Reinforcement Learning | null | Most deep reinforcement learning (RL) algorithms distill experience into parametric behavior policies or value functions via gradient updates. While effective, this approach has several disadvantages: (1) it is computationally expensive, (2) it can take many updates to integrate experiences into the parametric model, (3) experiences that are not fully integrated do not appropriately influence the agent’s behavior, and (4) behavior is limited by the capacity of the model. In this paper we explore an alternative paradigm in which we train a network to map a dataset of past experiences to optimal behavior. Specifically, we augment an RL agent with a retrieval process (parameterized as a neural network) that has direct access to a dataset of experiences. This dataset can come from the agent’s past experiences, expert demonstrations, or any other relevant source. The retrieval process is trained to retrieve information from the dataset that may be useful in the current context, to help the agent achieve its goal faster and more efficiently. The proposed method facilitates learning agents that at test time can condition their behavior on the entire dataset and not only the current state, or current trajectory. We integrate our method into two different RL agents: an offline DQN agent and an online R2D2 agent. In offline multi-task problems, we show that the retrieval-augmented DQN agent avoids task interference and learns faster than the baseline DQN agent. On Atari, we show that retrieval-augmented R2D2 learns significantly faster than the baseline R2D2 agent and achieves higher scores. We run extensive ablations to measure the contributions of the components of our proposed method. | Anirudh Goyal, Abram Friesen, Andrea Banino, Theophane Weber, Nan Rosemary Ke, Adrià Puigdomènech Badia, Arthur Guez, Mehdi Mirza, Peter C Humphreys, Ksenia Konyushova, Michal Valko, Simon Osindero, Timothy Lillicrap, Nicolas Heess, Charles Blundell | null | null | 2,022 | icml |
NeuroFluid: Fluid Dynamics Grounding with Particle-Driven Neural Radiance Fields | null | Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids. Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. | Shanyan Guan, Huayu Deng, Yunbo Wang, Xiaokang Yang | null | null | 2,022 | icml |
Causal Inference Through the Structural Causal Marginal Problem | null | We introduce an approach to counterfactual inference based on merging information from multiple datasets. We consider a causal reformulation of the statistical marginal problem: given a collection of marginal structural causal models (SCMs) over distinct but overlapping sets of variables, determine the set of joint SCMs that are counterfactually consistent with the marginal ones. We formalise this approach for categorical SCMs using the response function formulation and show that it reduces the space of allowed marginal and joint SCMs. Our work thus highlights a new mode of falsifiability through additional variables, in contrast to the statistical one via additional data. | Luigi Gresele, Julius Von Kügelgen, Jonas Kübler, Elke Kirschbaum, Bernhard Schölkopf, Dominik Janzing | null | null | 2,022 | icml |
It’s Raw! Audio Generation with State-Space Models | null | Developing architectures suitable for modeling raw audio is a challenging problem due to the high sampling rates of audio waveforms. Standard sequence modeling approaches like RNNs and CNNs have previously been tailored to fit the demands of audio, but the resultant architectures make undesirable computational tradeoffs and struggle to model waveforms effectively. We propose SaShiMi, a new multi-scale architecture for waveform modeling built around the recently introduced S4 model for long sequence modeling. We identify that S4 can be unstable during autoregressive generation, and provide a simple improvement to its parameterization by drawing connections to Hurwitz matrices. SaShiMi yields state-of-the-art performance for unconditional waveform generation in the autoregressive setting. Additionally, SaShiMi improves non-autoregressive generation performance when used as the backbone architecture for a diffusion model. Compared to prior architectures in the autoregressive generation setting, SaShiMi generates piano and speech waveforms which humans find more musical and coherent respectively, e.g. 2{\texttimes} better mean opinion scores than WaveNet on an unconditional speech generation task. On a music generation task, SaShiMi outperforms WaveNet on density estimation and speed at both training and inference even when using 3{\texttimes} fewer parameters | Karan Goel, Albert Gu, Chris Donahue, Christopher Re | null | null | 2,022 | icml |
Partial Label Learning via Label Influence Function | null | To deal with ambiguities in partial label learning (PLL), state-of-the-art strategies implement disambiguations by identifying the ground-truth label directly from the candidate label set. However, these approaches usually take the label that incurs a minimal loss as the ground-truth label or use the weight to represent which label has a high likelihood to be the ground-truth label. Little work has been done to investigate from the perspective of how a candidate label changing a predictive model. In this paper, inspired by influence function, we develop a novel PLL framework called Partial Label Learning via Label Influence Function (PLL-IF). Moreover, we implement the framework with two specific representative models, an SVM model and a neural network model, which are called PLL-IF+SVM and PLL-IF+NN method respectively. Extensive experiments conducted on various datasets demonstrate the superiorities of the proposed methods in terms of prediction accuracy, which in turn validates the effectiveness of the proposed PLL-IF framework. | Xiuwen Gong, Dong Yuan, Wei Bao | null | null | 2,022 | icml |
Learning Pseudometric-based Action Representations for Offline Reinforcement Learning | null | Offline reinforcement learning is a promising approach for practical applications since it does not require interactions with real-world environments. However, existing offline RL methods only work well in environments with continuous or small discrete action spaces. In environments with large and discrete action spaces, such as recommender systems and dialogue systems, the performance of existing methods decreases drastically because they suffer from inaccurate value estimation for a large proportion of out-of-distribution (o.o.d.) actions. While recent works have demonstrated that online RL benefits from incorporating semantic information in action representations, unfortunately, they fail to learn reasonable relative distances between action representations, which is key to offline RL to reduce the influence of o.o.d. actions. This paper proposes an action representation learning framework for offline RL based on a pseudometric, which measures both the behavioral relation and the data-distributional relation between actions. We provide theoretical analysis on the continuity of the expected Q-values and the offline policy improvement using the learned action representations. Experimental results show that our methods significantly improve the performance of two typical offline RL methods in environments with large and discrete action spaces. | Pengjie Gu, Mengchen Zhao, Chen Chen, Dong Li, Jianye Hao, Bo An | null | null | 2,022 | icml |
Leveraging Approximate Symbolic Models for Reinforcement Learning via Skill Diversity | null | Creating reinforcement learning (RL) agents that are capable of accepting and leveraging task-specific knowledge from humans has been long identified as a possible strategy for developing scalable approaches for solving long-horizon problems. While previous works have looked at the possibility of using symbolic models along with RL approaches, they tend to assume that the high-level action models are executable at low level and the fluents can exclusively characterize all desirable MDP states. Symbolic models of real world tasks are however often incomplete. To this end, we introduce Approximate Symbolic-Model Guided Reinforcement Learning, wherein we will formalize the relationship between the symbolic model and the underlying MDP that will allow us to characterize the incompleteness of the symbolic model. We will use these models to extract high-level landmarks that will be used to decompose the task. At the low level, we learn a set of diverse policies for each possible task subgoal identified by the landmark, which are then stitched together. We evaluate our system by testing on three different benchmark domains and show how even with incomplete symbolic model information, our approach is able to discover the task structure and efficiently guide the RL agent towards the goal. | Lin Guan, Sarath Sreedharan, Subbarao Kambhampati | null | null | 2,022 | icml |
A Parametric Class of Approximate Gradient Updates for Policy Optimization | null | Approaches to policy optimization have been motivated from diverse principles, based on how the parametric model is interpreted (e.g. value versus policy representation) or how the learning objective is formulated, yet they share a common goal of maximizing expected return. To better capture the commonalities and identify key differences between policy optimization methods, we develop a unified perspective that re-expresses the underlying updates in terms of a limited choice of gradient form and scaling function. In particular, we identify a parameterized space of approximate gradient updates for policy optimization that is highly structured, yet covers both classical and recent examples, including PPO. As a result, we obtain novel yet well motivated updates that generalize existing algorithms in a way that can deliver benefits both in terms of convergence speed and final result quality. An experimental investigation demonstrates that the additional degrees of freedom provided in the parameterized family of updates can be leveraged to obtain non-trivial improvements both in synthetic domains and on popular deep RL benchmarks. | Ramki Gummadi, Saurabh Kumar, Junfeng Wen, Dale Schuurmans | null | null | 2,022 | icml |
Variational Mixtures of ODEs for Inferring Cellular Gene Expression Dynamics | null | A key problem in computational biology is discovering the gene expression changes that regulate cell fate transitions, in which one cell type turns into another. However, each individual cell cannot be tracked longitudinally, and cells at the same point in real time may be at different stages of the transition process. This can be viewed as a problem of learning the behavior of a dynamical system from observations whose times are unknown. Additionally, a single progenitor cell type often bifurcates into multiple child cell types, further complicating the problem of modeling the dynamics. To address this problem, we developed an approach called variational mixtures of ordinary differential equations. By using a simple family of ODEs informed by the biochemistry of gene expression to constrain the likelihood of a deep generative model, we can simultaneously infer the latent time and latent state of each cell and predict its future gene expression state. The model can be interpreted as a mixture of ODEs whose parameters vary continuously across a latent space of cell states. Our approach dramatically improves data fit, latent time inference, and future cell state estimation of single-cell gene expression data compared to previous approaches. | Yichen Gu, David T Blaauw, Joshua Welch | null | null | 2,022 | icml |
Bounding Training Data Reconstruction in Private (Deep) Learning | null | Differential privacy is widely accepted as the de facto method for preventing data leakage in ML, and conventional wisdom suggests that it offers strong protection against privacy attacks. However, existing semantic guarantees for DP focus on membership inference, which may overestimate the adversary’s capabilities and is not applicable when membership status itself is non-sensitive. In this paper, we derive the first semantic guarantees for DP mechanisms against training data reconstruction attacks under a formal threat model. We show that two distinct privacy accounting methods—Renyi differential privacy and Fisher information leakage—both offer strong semantic protection against data reconstruction attacks. | Chuan Guo, Brian Karrer, Kamalika Chaudhuri, Laurens van der Maaten | null | null | 2,022 | icml |
No-Regret Learning in Partially-Informed Auctions | null | Auctions with partially-revealed information about items are broadly employed in real-world applications, but the underlying mechanisms have limited theoretical support. In this work, we study a machine learning formulation of these types of mechanisms, presenting algorithms that are no-regret from the buyer’s perspective. Specifically, a buyer who wishes to maximize his utility interacts repeatedly with a platform over a series of $T$ rounds. In each round, a new item is drawn from an unknown distribution and the platform publishes a price together with incomplete, “masked” information about the item. The buyer then decides whether to purchase the item. We formalize this problem as an online learning task where the goal is to have low regret with respect to a myopic oracle that has perfect knowledge of the distribution over items and the seller’s masking function. When the distribution over items is known to the buyer and the mask is a SimHash function mapping $\R^d$ to $\{0,1\}^{\ell}$, our algorithm has regret $\tilde \cO((Td\ell)^{\nicefrac{1}{2}})$. In a fully agnostic setting when the mask is an arbitrary function mapping to a set of size $n$ and the prices are stochastic, our algorithm has regret $\tilde \cO((Tn)^{\nicefrac{1}{2}})$. | Wenshuo Guo, Michael Jordan, Ellen Vitercik | null | null | 2,022 | icml |
Identifiability Conditions for Domain Adaptation | null | Domain adaptation algorithms and theory have relied upon an assumption that the observed data uniquely specify the correct correspondence between the domains. Unfortunately, it is unclear under what conditions this identifiability assumption holds, even when restricting ourselves to the case where a correct bijective map between domains exists. We study this bijective domain mapping problem and provide several new sufficient conditions for the identifiability of linear domain maps. As a consequence of our analysis, we show that weak constraints on the third moment tensor suffice for identifiability, prove identifiability for common latent variable models such as topic models, and give a computationally tractable method for generating certificates for the identifiability of linear maps. Inspired by our certification method, we derive a new objective function for domain mapping that explicitly accounts for uncertainty over maps arising from unidentifiability. We demonstrate that our objective leads to improvements in uncertainty quantification and model performance estimation. | Ishaan Gulrajani, Tatsunori Hashimoto | null | null | 2,022 | icml |
Provably Efficient Offline Reinforcement Learning for Partially Observable Markov Decision Processes | null | We study offline reinforcement learning (RL) for partially observable Markov decision processes (POMDPs) with possibly infinite state and observation spaces. Under the undercompleteness assumption, the optimal policy in such POMDPs are characterized by a class of finite-memory Bellman operators. In the offline setting, estimating these operators directly is challenging due to (i) the large observation space and (ii) insufficient coverage of the offline dataset. To tackle these challenges, we propose a novel algorithm that constructs confidence regions for these Bellman operators via offline estimation of their RKHS embeddings, and returns the final policy via pessimistic planning within the confidence regions. We prove that the proposed algorithm attains an \(\epsilon\)-optimal policy using an offline dataset containing \(\tilde\cO(1 / \epsilon^2)\){episodes}, provided that the behavior policy has good coverage over the optimal trajectory. To our best knowledge, our algorithm is the first provably sample efficient offline algorithm for POMDPs without uniform coverage assumptions. | Hongyi Guo, Qi Cai, Yufeng Zhang, Zhuoran Yang, Zhaoran Wang | null | null | 2,022 | icml |
Active Learning on a Budget: Opposite Strategies Suit High and Low Budgets | null | 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. | Guy Hacohen, Avihu Dekel, Daphna Weinshall | null | null | 2,022 | icml |
You Only Cut Once: Boosting Data Augmentation with a Single Cut | null | 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. | Junlin Han, Pengfei Fang, Weihao Li, Jie Hong, Mohammad Ali Armin, Ian Reid, Lars Petersson, Hongdong Li | null | null | 2,022 | icml |
Understanding and Improving Knowledge Graph Embedding for Entity Alignment | null | Embedding-based entity alignment (EEA) has recently received great attention. Despite significant performance improvement, few efforts have been paid to facilitate understanding of EEA methods. Most existing studies rest on the assumption that a small number of pre-aligned entities can serve as anchors connecting the embedding spaces of two KGs. Nevertheless, no one has investigated the rationality of such an assumption. To fill the research gap, we define a typical paradigm abstracted from existing EEA methods and analyze how the embedding discrepancy between two potentially aligned entities is implicitly bounded by a predefined margin in the score function. Further, we find that such a bound cannot guarantee to be tight enough for alignment learning. We mitigate this problem by proposing a new approach, named NeoEA, to explicitly learn KG-invariant and principled entity embeddings. In this sense, an EEA model not only pursues the closeness of aligned entities based on geometric distance, but also aligns the neural ontologies of two KGs by eliminating the discrepancy in embedding distribution and underlying ontology knowledge. Our experiments demonstrate consistent and significant performance improvement against the best-performing EEA methods. | Lingbing Guo, Qiang Zhang, Zequn Sun, Mingyang Chen, Wei Hu, Huajun Chen | null | null | 2,022 | icml |
Fast Provably Robust Decision Trees and Boosting | null | Learning with adversarial robustness has been a challenge in contemporary machine learning, and recent years have witnessed increasing attention on robust decision trees and ensembles, mostly working with high computational complexity or without guarantees of provable robustness. This work proposes the Fast Provably Robust Decision Tree (FPRDT) with the smallest computational complexity O(n log n), a tradeoff between global and local optimizations over the adversarial 0/1 loss. We further develop the Provably Robust AdaBoost (PRAdaBoost) according to our robust decision trees, and present convergence analysis for training adversarial 0/1 loss. We conduct extensive experiments to support our approaches; in particular, our approaches are superior to those unprovably robust methods, and achieve better or comparable performance to those provably robust methods yet with the smallest running time. | Jun-Qi Guo, Ming-Zhuo Teng, Wei Gao, Zhi-Hua Zhou | null | null | 2,022 | icml |
Adversarially trained neural representations are already as robust as biological neural representations | null | Visual systems of primates are the gold standard of robust perception. There is thus a general belief that mimicking the neural representations that underlie those systems will yield artificial visual systems that are adversarially robust. In this work, we develop a method for performing adversarial visual attacks directly on primate brain activity. We then leverage this method to demonstrate that the above-mentioned belief might not be well-founded. Specifically, we report that the biological neurons that make up visual systems of primates exhibit susceptibility to adversarial perturbations that is comparable in magnitude to existing (robustly trained) artificial neural networks. | Chong Guo, Michael Lee, Guillaume Leclerc, Joel Dapello, Yug Rao, Aleksander Madry, James Dicarlo | null | null | 2,022 | icml |
Deep Squared Euclidean Approximation to the Levenshtein Distance for DNA Storage | null | Storing information in DNA molecules is of great interest because of its advantages in longevity, high storage density, and low maintenance cost. A key step in the DNA storage pipeline is to efficiently cluster the retrieved DNA sequences according to their similarities. Levenshtein distance is the most suitable metric on the similarity between two DNA sequences, but it is inferior in terms of computational complexity and less compatible with mature clustering algorithms. In this work, we propose a novel deep squared Euclidean embedding for DNA sequences using Siamese neural network, squared Euclidean embedding, and chi-squared regression. The Levenshtein distance is approximated by the squared Euclidean distance between the embedding vectors, which is fast calculated and clustering algorithm friendly. The proposed approach is analyzed theoretically and experimentally. The results show that the proposed embedding is efficient and robust. | Alan J.X. Guo, Cong Liang, Qing-Hu Hou | null | null | 2,022 | icml |
Class-Imbalanced Semi-Supervised Learning with Adaptive Thresholding | null | Semi-supervised learning (SSL) has proven to be successful in overcoming labeling difficulties by leveraging unlabeled data. Previous SSL algorithms typically assume a balanced class distribution. However, real-world datasets are usually class-imbalanced, causing the performance of existing SSL algorithms to be seriously decreased. One essential reason is that pseudo-labels for unlabeled data are selected based on a fixed confidence threshold, resulting in low performance on minority classes. In this paper, we develop a simple yet effective framework, which only involves adaptive thresholding for different classes in SSL algorithms, and achieves remarkable performance improvement on more than twenty imbalance ratios. Specifically, we explicitly optimize the number of pseudo-labels for each class in the SSL objective, so as to simultaneously obtain adaptive thresholds and minimize empirical risk. Moreover, the determination of the adaptive threshold can be efficiently obtained by a closed-form solution. Extensive experimental results demonstrate the effectiveness of our proposed algorithms. | Lan-Zhe Guo, Yu-Feng Li | null | null | 2,022 | icml |
Random Gegenbauer Features for Scalable Kernel Methods | null | 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. | Insu Han, Amir Zandieh, Haim Avron | null | null | 2,022 | icml |
Dual Perspective of Label-Specific Feature Learning for Multi-Label Classification | null | 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. | Jun-Yi Hang, Min-Ling Zhang | null | null | 2,022 | icml |
NISPA: Neuro-Inspired Stability-Plasticity Adaptation for Continual Learning in Sparse Networks | null | 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. | Mustafa B Gurbuz, Constantine Dovrolis | null | null | 2,022 | icml |
Scalable MCMC Sampling for Nonsymmetric Determinantal Point Processes | null | 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. | Insu Han, Mike Gartrell, Elvis Dohmatob, Amin Karbasi | null | null | 2,022 | icml |
Bisimulation Makes Analogies in Goal-Conditioned Reinforcement Learning | null | 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. | Philippe Hansen-Estruch, Amy Zhang, Ashvin Nair, Patrick Yin, Sergey Levine | null | null | 2,022 | icml |
Online Continual Learning through Mutual Information Maximization | null | This paper proposed a new online continual learning approach called OCM based on mutual information (MI) maximization. It achieves two objectives that are critical in dealing with catastrophic forgetting (CF). (1) It reduces feature bias caused by cross entropy (CE) as CE learns only discriminative features for each task, but these features may not be discriminative for another task. To learn a new task well, the network parameters learned before have to be modified, which causes CF. The new approach encourages the learning of each task to make use of the full features of the task training data. (2) It encourages preservation of the previously learned knowledge when training a new batch of incrementally arriving data. Empirical evaluation shows that OCM substantially outperforms the latest online CL baselines. For example, for CIFAR10, OCM improves the accuracy of the best baseline by 13.1% from 64.1% (baseline) to 77.2% (OCM).The code is publicly available at https://github.com/gydpku/OCM. | Yiduo Guo, Bing Liu, Dongyan Zhao | null | null | 2,022 | icml |
Temporal Difference Learning for Model Predictive Control | null | 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. | Nicklas A Hansen, Hao Su, Xiaolong Wang | null | null | 2,022 | icml |
C*-algebra Net: A New Approach Generalizing Neural Network Parameters to C*-algebra | null | 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. | Yuka Hashimoto, Zhao Wang, Tomoko Matsui | null | null | 2,022 | icml |
Contextual Information-Directed Sampling | null | 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 contextual IDS over conditional IDS 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. | Botao Hao, Tor Lattimore, Chao Qin | null | null | 2,022 | icml |
Strategic Instrumental Variable Regression: Recovering Causal Relationships From Strategic Responses | null | 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. . | Keegan Harris, Dung Daniel T Ngo, Logan Stapleton, Hoda Heidari, Steven Wu | null | null | 2,022 | icml |
Private Streaming SCO in $\ell_p$ geometry with Applications in High Dimensional Online Decision Making | null | 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
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BibTeX
@InProceedings{pmlr-v162-han22d,
title = {Private Streaming {SCO} in $\ell_p$ geometry with Applications in High Dimensional Online Decision Making},
author = {Han, Yuxuan and Liang, Zhicong and Liang, Zhipeng and Wang, Yang and Yao, Yuan and Zhang, Jiheng},
booktitle = {Proceedings of the 39th International Conference on Machine Learning},
pages = {8249--8279},
year = {2022},
editor = {Chaudhuri, Kamalika and Jegelka, Stefanie and Song, Le and Szepesvari, Csaba and Niu, Gang and Sabato, Sivan},
volume = {162},
series = {Proceedings of Machine Learning Research},
month = {17--23 Jul},
publisher = {PMLR},
pdf = {https://proceedings.mlr.press/v162/han22d/han22d.pdf},
url = {https://proceedings.mlr.press/v162/han22d.html},
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
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%0 Conference Paper
%T Private Streaming SCO in $\ell_p$ geometry with Applications in High Dimensional Online Decision Making
%A Yuxuan Han
%A Zhicong Liang
%A Zhipeng Liang
%A Yang Wang
%A Yuan Yao
%A Jiheng Zhang
%B Proceedings of the 39th International Conference on Machine Learning
%C Proceedings of Machine Learning Research
%D 2022
%E Kamalika Chaudhuri
%E Stefanie Jegelka
%E Le Song
%E Csaba Szepesvari
%E Gang Niu
%E Sivan Sabato
%F pmlr-v162-han22d
%I PMLR
%P 8249--8279
%U https://proceedings.mlr.press/v162/han22d.html
%V 162
%X 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
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Han, Y., Liang, Z., Liang, Z., Wang, Y., Yao, Y. & Zhang, J.. (2022). Private Streaming SCO in $\ell_p$ geometry with Applications in High Dimensional Online Decision Making. Proceedings of the 39th International Conference on Machine Learning, in Proceedings of Machine Learning Research 162:8249-8279 Available from https://proceedings.mlr.press/v162/han22d.html.
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A Reduction from Linear Contextual Bandits Lower Bounds to Estimations Lower Bounds | null | 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. | Jiahao He, Jiheng Zhang, Rachel Q. Zhang | null | null | 2,022 | icml |
Label-Descriptive Patterns and Their Application to Characterizing Classification Errors | null | 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. | Michael A. Hedderich, Jonas Fischer, Dietrich Klakow, Jilles Vreeken | null | null | 2,022 | icml |
Sparse Double Descent: Where Network Pruning Aggravates Overfitting | null | 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. | Zheng He, Zeke Xie, Quanzhi Zhu, Zengchang Qin | null | null | 2,022 | icml |
Unsupervised Detection of Contextualized Embedding Bias with Application to Ideology | null | 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. | Valentin Hofmann, Janet Pierrehumbert, Hinrich Schütze | null | null | 2,022 | icml |
General-purpose, long-context autoregressive modeling with Perceiver AR | null | 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. | 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 | null | null | 2,022 | icml |
Generalization Bounds using Lower Tail Exponents in Stochastic Optimizers | null | 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. | Liam Hodgkinson, Umut Simsekli, Rajiv Khanna, Michael Mahoney | null | null | 2,022 | icml |
Deep Hierarchy in Bandits | null | 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. | Joey Hong, Branislav Kveton, Sumeet Katariya, Manzil Zaheer, Mohammad Ghavamzadeh | null | null | 2,022 | icml |
Equivariant Diffusion for Molecule Generation in 3D | null | 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. | Emiel Hoogeboom, Vı́ctor Garcia Satorras, Clément Vignac, Max Welling | null | null | 2,022 | icml |
G-Mixup: Graph Data Augmentation for Graph Classification | null | 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. | Xiaotian Han, Zhimeng Jiang, Ninghao Liu, Xia Hu | null | null | 2,022 | icml |
Exploring the Gap between Collapsed & Whitened Features in Self-Supervised Learning | null | 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 \cite{zbontar2021barlow,ermolov2021whitening,hua2021feature,bardes2022vicreg}. We identify power law behaviour in eigenvalue decay, parameterised by exponent $\beta{\geq}0$, 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 $\beta$, & find that PostMan-Pat delivers improved label efficiency and transferability across a range of SSL methods and encoder architectures. | Bobby He, Mete Ozay | null | null | 2,022 | icml |
DAdaQuant: Doubly-adaptive quantization for communication-efficient Federated Learning | null | 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$\rightarrow$server compression, outperforming the strongest non-adaptive baselines by up to $2.8\times$. | Robert Hönig, Yiren Zhao, Robert Mullins | null | null | 2,022 | icml |
Wide Bayesian neural networks have a simple weight posterior: theory and accelerated sampling | null | We introduce repriorisation, a data-dependent reparameterisation which transforms a Bayesian neural network (BNN) posterior to a distribution whose KL divergence to the BNN prior vanishes as layer widths grow. The repriorisation map acts directly on parameters, and its analytic simplicity complements the known neural network Gaussian process (NNGP) behaviour of wide BNNs in function space. Exploiting the repriorisation, we develop a Markov chain Monte Carlo (MCMC) posterior sampling algorithm which mixes faster the wider the BNN. This contrasts with the typically poor performance of MCMC in high dimensions. We observe up to 50x higher effective sample size relative to no reparametrisation for both fully-connected and residual networks. Improvements are achieved at all widths, with the margin between reparametrised and standard BNNs growing with layer width. | Jiri Hron, Roman Novak, Jeffrey Pennington, Jascha Sohl-Dickstein | null | null | 2,022 | icml |
TURF: Two-Factor, Universal, Robust, Fast Distribution Learning Algorithm | null | 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 $c_{t,1}\le 2.25$ and the bound rises quickly to $c_{t,d}\le 3$ 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. | Yi Hao, Ayush Jain, Alon Orlitsky, Vaishakh Ravindrakumar | null | null | 2,022 | icml |
Transformer Quality in Linear Time | null | We revisit the design choices in Transformers, and propose methods to address their weaknesses in handling long sequences. First, we propose a simple layer named gated attention unit, which allows the use of a weaker single-head attention with minimal quality loss. We then propose a linear approximation method complementary to this new layer, which is accelerator-friendly and highly competitive in quality. The resulting model, named FLASH, matches the perplexity of improved Transformers over both short (512) and long (8K) context lengths, achieving training speedups of up to 4.9x on Wiki-40B and 12.1x on PG-19 for auto-regressive language modeling, and 4.8x on C4 for masked language modeling. | Weizhe Hua, Zihang Dai, Hanxiao Liu, Quoc Le | null | null | 2,022 | icml |
Neural Laplace: Learning diverse classes of differential equations in the Laplace domain | null | 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. | Samuel I Holt, Zhaozhi Qian, Mihaela van der Schaar | null | null | 2,022 | icml |
AdAUC: End-to-end Adversarial AUC Optimization Against Long-tail Problems | null | It is well-known that deep learning models are vulnerable to adversarial examples. Existing studies of adversarial training have made great progress against this challenge. As a typical trait, they often assume that the class distribution is overall balanced. However, long-tail datasets are ubiquitous in a wide spectrum of applications, where the amount of head class instances is significantly larger than the tail classes. Under such a scenario, AUC is a much more reasonable metric than accuracy since it is insensitive toward class distribution. Motivated by this, we present an early trial to explore adversarial training methods to optimize AUC. The main challenge lies in that the positive and negative examples are tightly coupled in the objective function. As a direct result, one cannot generate adversarial examples without a full scan of the dataset. To address this issue, based on a concavity regularization scheme, we reformulate the AUC optimization problem as a saddle point problem, where the objective becomes an instance-wise function. This leads to an end-to-end training protocol. Furthermore, we provide a convergence guarantee of the proposed training algorithm. Our analysis differs from the existing studies since the algorithm is asked to generate adversarial examples by calculating the gradient of a min-max problem. Finally, the extensive experimental results show the performance and robustness of our algorithm in three long-tail datasets. | Wenzheng Hou, Qianqian Xu, Zhiyong Yang, Shilong Bao, Yuan He, Qingming Huang | null | null | 2,022 | icml |
On the Role of Discount Factor in Offline Reinforcement Learning | null | Offline reinforcement learning (RL) enables effective learning from previously collected data without exploration, which shows great promise in real-world applications when exploration is expensive or even infeasible. The discount factor, $\gamma$, plays a vital role in improving online RL sample efficiency and estimation accuracy, but the role of the discount factor in offline RL is not well explored. This paper examines two distinct effects of $\gamma$ in offline RL with theoretical analysis, namely the regularization effect and the pessimism effect. On the one hand, $\gamma$ is a regulator to trade-off optimality with sample efficiency upon existing offline techniques. On the other hand, lower guidance $\gamma$ can also be seen as a way of pessimism where we optimize the policy’s performance in the worst possible models. We empirically verify the above theoretical observation with tabular MDPs and standard D4RL tasks. The results show that the discount factor plays an essential role in the performance of offline RL algorithms, both under small data regimes upon existing offline methods and in large data regimes without other conservative methods. | Hao Hu, Yiqin Yang, Qianchuan Zhao, Chongjie Zhang | null | null | 2,022 | icml |
Neuron Dependency Graphs: A Causal Abstraction of Neural Networks | null | We discover that neural networks exhibit approximate logical dependencies among neurons, and we introduce Neuron Dependency Graphs (NDG) that extract and present them as directed graphs. In an NDG, each node corresponds to the boolean activation value of a neuron, and each edge models an approximate logical implication from one node to another. We show that the logical dependencies extracted from the training dataset generalize well to the test set. In addition to providing symbolic explanations to the neural network’s internal structure, NDGs can represent a Structural Causal Model. We empirically show that an NDG is a causal abstraction of the corresponding neural network that "unfolds" the same way under causal interventions using the theory by Geiger et al. (2021). Code is available at https://github.com/phimachine/ndg. | Yaojie Hu, Jin Tian | null | null | 2,022 | icml |
Learning inverse folding from millions of predicted structures | null | We consider the problem of predicting a protein sequence from its backbone atom coordinates. Machine learning approaches to this problem to date have been limited by the number of available experimentally determined protein structures. We augment training data by nearly three orders of magnitude by predicting structures for 12M protein sequences using AlphaFold2. Trained with this additional data, a sequence-to-sequence transformer with invariant geometric input processing layers achieves 51% native sequence recovery on structurally held-out backbones with 72% recovery for buried residues, an overall improvement of almost 10 percentage points over existing methods. The model generalizes to a variety of more complex tasks including design of protein complexes, partially masked structures, binding interfaces, and multiple states. | Chloe Hsu, Robert Verkuil, Jason Liu, Zeming Lin, Brian Hie, Tom Sercu, Adam Lerer, Alexander Rives | null | null | 2,022 | icml |
Action-Sufficient State Representation Learning for Control with Structural Constraints | null | Perceived signals in real-world scenarios are usually high-dimensional and noisy, and finding and using their representation that contains essential and sufficient information required by downstream decision-making tasks will help improve computational efficiency and generalization ability in the tasks. In this paper, we focus on partially observable environments and propose to learn a minimal set of state representations that capture sufficient information for decision-making, termed Action-Sufficient state Representations (ASRs). We build a generative environment model for the structural relationships among variables in the system and present a principled way to characterize ASRs based on structural constraints and the goal of maximizing cumulative reward in policy learning. We then develop a structured sequential Variational Auto-Encoder to estimate the environment model and extract ASRs. Our empirical results on CarRacing and VizDoom demonstrate a clear advantage of learning and using ASRs for policy learning. Moreover, the estimated environment model and ASRs allow learning behaviors from imagined outcomes in the compact latent space to improve sample efficiency. | Biwei Huang, Chaochao Lu, Liu Leqi, Jose Miguel Hernandez-Lobato, Clark Glymour, Bernhard Schölkopf, Kun Zhang | null | null | 2,022 | icml |
Policy Diagnosis via Measuring Role Diversity in Cooperative Multi-agent RL | null | Cooperative multi-agent reinforcement learning (MARL) is making rapid progress for solving tasks in a grid world and real-world scenarios, in which agents are given different attributes and goals, resulting in different behavior through the whole multi-agent task. In this study, we quantify the agent’s behavior difference and build its relationship with the policy performance via {\bf Role Diversity}, a metric to measure the characteristics of MARL tasks. We define role diversity from three perspectives: action-based, trajectory-based, and contribution-based to fully measure a multi-agent task. Through theoretical analysis, we find that the error bound in MARL can be decomposed into three parts that have a strong relation to the role diversity. The decomposed factors can significantly impact policy optimization in three popular directions including parameter sharing, communication mechanism, and credit assignment. The main experimental platforms are based on {\bf Multiagent Particle Environment (MPE) }and {\bf The StarCraft Multi-Agent Challenge (SMAC)}. Extensive experiments clearly show that role diversity can serve as a robust measurement for the characteristics of a multi-agent cooperation task and help diagnose whether the policy fits the current multi-agent system for better policy performance. | Siyi Hu, Chuanlong Xie, Xiaodan Liang, Xiaojun Chang | null | null | 2,022 | icml |
Nearly Minimax Optimal Reinforcement Learning with Linear Function Approximation | null | We study reinforcement learning with linear function approximation where the transition probability and reward functions are linear with respect to a feature mapping $\boldsymbol{\phi}(s,a)$. Specifically, we consider the episodic inhomogeneous linear Markov Decision Process (MDP), and propose a novel computation-efficient algorithm, LSVI-UCB$^+$, which achieves an $\widetilde{O}(Hd\sqrt{T})$ regret bound where $H$ is the episode length, $d$ is the feature dimension, and $T$ is the number of steps. LSVI-UCB$^+$ builds on weighted ridge regression and upper confidence value iteration with a Bernstein-type exploration bonus. Our statistical results are obtained with novel analytical tools, including a new Bernstein self-normalized bound with conservatism on elliptical potentials, and refined analysis of the correction term. To the best of our knowledge, this is the first minimax optimal algorithm for linear MDPs up to logarithmic factors, which closes the $\sqrt{Hd}$ gap between the best known upper bound of $\widetilde{O}(\sqrt{H^3d^3T})$ in \cite{jin2020provably} and lower bound of $\Omega(Hd\sqrt{T})$ for linear MDPs. | Pihe Hu, Yu Chen, Longbo Huang | null | null | 2,022 | icml |
Language Models as Zero-Shot Planners: Extracting Actionable Knowledge for Embodied Agents | null | Can world knowledge learned by large language models (LLMs) be used to act in interactive environments? In this paper, we investigate the possibility of grounding high-level tasks, expressed in natural language (e.g. “make breakfast”), to a chosen set of actionable steps (e.g. “open fridge”). While prior work focused on learning from explicit step-by-step examples of how to act, we surprisingly find that if pre-trained LMs are large enough and prompted appropriately, they can effectively decompose high-level tasks into mid-level plans without any further training. However, the plans produced naively by LLMs often cannot map precisely to admissible actions. We propose a procedure that conditions on existing demonstrations and semantically translates the plans to admissible actions. Our evaluation in the recent VirtualHome environment shows that the resulting method substantially improves executability over the LLM baseline. The conducted human evaluation reveals a trade-off between executability and correctness but shows a promising sign towards extracting actionable knowledge from language models. | Wenlong Huang, Pieter Abbeel, Deepak Pathak, Igor Mordatch | null | null | 2,022 | icml |
Modality Competition: What Makes Joint Training of Multi-modal Network Fail in Deep Learning? (Provably) | null | Despite the remarkable success of deep multi-modal learning in practice, it has not been well-explained in theory. Recently, it has been observed that the best uni-modal network outperforms the jointly trained multi-modal network across different combinations of modalities on various tasks, which is counter-intuitive since multiple signals would bring more information (Wang et al., 2020). This work provides a theoretical explanation for the emergence of such performance gap in neural networks for the prevalent joint training framework. Based on a simplified data distribution that captures the realistic property of multi-modal data, we prove that for multi-modal late-fusion network with (smoothed) ReLU activation trained jointly by gradient descent, different modalities will compete with each other and only a subset of modalities will be learned by its corresponding encoder networks. We refer to this phenomenon as modality competition, and the losing modalities, which fail to be discovered, are the origins where the sub-optimality of joint training comes from. In contrast, for uni-modal networks with similar learning settings, we provably show that the networks will focus on learning modality-associated features. Experimentally, we illustrate that modality competition matches the intrinsic behavior of late-fusion joint training to supplement our theoretical results. To the best of our knowledge, our work is the first theoretical treatment towards the degenerating aspect of multi-modal learning in neural networks. | Yu Huang, Junyang Lin, Chang Zhou, Hongxia Yang, Longbo Huang | null | null | 2,022 | icml |
Forward Operator Estimation in Generative Models with Kernel Transfer Operators | null | Generative models which use explicit density modeling (e.g., variational autoencoders, flow-based generative models) involve finding a mapping from a known distribution, e.g. Gaussian, to the unknown input distribution. This often requires searching over a class of non-linear functions (e.g., representable by a deep neural network). While effective in practice, the associated runtime/memory costs can increase rapidly, usually as a function of the performance desired in an application. We propose a substantially cheaper (and simpler) forward operator estimation strategy based on adapting known results on kernel transfer operators. We show that our formulation enables highly efficient distribution approximation and sampling, and offers surprisingly good empirical performance that compares favorably with powerful baselines, but with significant runtime savings. We show that the algorithm also performs well in small sample size settings (in brain imaging). | Zhichun Huang, Rudrasis Chakraborty, Vikas Singh | null | null | 2,022 | icml |
On the Learning of Non-Autoregressive Transformers | null | Non-autoregressive Transformer (NAT) is a family of text generation models, which aims to reduce the decoding latency by predicting the whole sentences in parallel. However, such latency reduction sacrifices the ability to capture left-to-right dependencies, thereby making NAT learning very challenging. In this paper, we present theoretical and empirical analyses to reveal the challenges of NAT learning and propose a unified perspective to understand existing successes. First, we show that simply training NAT by maximizing the likelihood can lead to an approximation of marginal distributions but drops all dependencies between tokens, where the dropped information can be measured by the dataset’s conditional total correlation. Second, we formalize many previous objectives in a unified framework and show that their success can be concluded as maximizing the likelihood on a proxy distribution, leading to a reduced information loss. Empirical studies show that our perspective can explain the phenomena in NAT learning and guide the design of new training methods. | Fei Huang, Tianhua Tao, Hao Zhou, Lei Li, Minlie Huang | null | null | 2,022 | icml |
Going Deeper into Permutation-Sensitive Graph Neural Networks | null | The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node permutations when aggregating messages. However, such an invariant manner may ignore the relationships among neighboring nodes, thereby hindering the expressivity of GNNs. In this work, we devise an efficient permutation-sensitive aggregation mechanism via permutation groups, capturing pairwise correlations between neighboring nodes. We prove that our approach is strictly more powerful than the 2-dimensional Weisfeiler-Lehman (2-WL) graph isomorphism test and not less powerful than the 3-WL test. Moreover, we prove that our approach achieves the linear sampling complexity. Comprehensive experiments on multiple synthetic and real-world datasets demonstrate the superiority of our model. | Zhongyu Huang, Yingheng Wang, Chaozhuo Li, Huiguang He | null | null | 2,022 | icml |
SDQ: Stochastic Differentiable Quantization with Mixed Precision | null | In order to deploy deep models in a computationally efficient manner, model quantization approaches have been frequently used. In addition, as new hardware that supports various-bit arithmetic operations, recent research on mixed precision quantization (MPQ) begins to fully leverage the capacity of representation by searching various bitwidths for different layers and modules in a network. However, previous studies mainly search the MPQ strategy in a costly scheme using reinforcement learning, neural architecture search, etc., or simply utilize partial prior knowledge for bitwidth distribution, which might be biased and sub-optimal. In this work, we present a novel Stochastic Differentiable Quantization (SDQ) method that can automatically learn the MPQ strategy in a more flexible and globally-optimized space with a smoother gradient approximation. Particularly, Differentiable Bitwidth Parameters (DBPs) are employed as the probability factors in stochastic quantization between adjacent bitwidth. After the optimal MPQ strategy is acquired, we further train our network with the entropy-aware bin regularization and knowledge distillation. We extensively evaluate our method on different networks, hardwares (GPUs and FPGA), and datasets. SDQ outperforms all other state-of-the-art mixed or single precision quantization with less bitwidth, and are even better than the original full-precision counterparts across various ResNet and MobileNet families, demonstrating the effectiveness and superiority of our method. Code will be publicly available. | Xijie Huang, Zhiqiang Shen, Shichao Li, Zechun Liu, Hu Xianghong, Jeffry Wicaksana, Eric Xing, Kwang-Ting Cheng | null | null | 2,022 | icml |
Directed Acyclic Transformer for Non-Autoregressive Machine Translation | null | Non-autoregressive Transformers (NATs) significantly reduce the decoding latency by generating all tokens in parallel. However, such independent predictions prevent NATs from capturing the dependencies between the tokens for generating multiple possible translations. In this paper, we propose Directed Acyclic Transfomer (DA-Transformer), which represents the hidden states in a Directed Acyclic Graph (DAG), where each path of the DAG corresponds to a specific translation. The whole DAG simultaneously captures multiple translations and facilitates fast predictions in a non-autoregressive fashion. Experiments on the raw training data of WMT benchmark show that DA-Transformer substantially outperforms previous NATs by about 3 BLEU on average, which is the first NAT model that achieves competitive results with autoregressive Transformers without relying on knowledge distillation. | Fei Huang, Hao Zhou, Yang Liu, Hang Li, Minlie Huang | null | null | 2,022 | icml |
Unsupervised Ground Metric Learning Using Wasserstein Singular Vectors | null | Defining meaningful distances between samples in a dataset is a fundamental problem in machine learning. Optimal Transport (OT) lifts a distance between features (the "ground metric") to a geometrically meaningful distance between samples. However, there is usually no straightforward choice of ground metric. Supervised ground metric learning approaches exist but require labeled data. In absence of labels, only ad-hoc ground metrics remain. Unsupervised ground metric learning is thus a fundamental problem to enable data-driven applications of OT. In this paper, we propose for the first time a canonical answer by simultaneously computing an OT distance between samples and between features of a dataset. These distance matrices emerge naturally as positive singular vectors of the function mapping ground metrics to OT distances. We provide criteria to ensure the existence and uniqueness of these singular vectors. We then introduce scalable computational methods to approximate them in high-dimensional settings, using stochastic approximation and entropic regularization. Finally, we showcase Wasserstein Singular Vectors on a single-cell RNA-sequencing dataset. | Geert-Jan Huizing, Laura Cantini, Gabriel Peyré | null | null | 2,022 | icml |
Adaptive Best-of-Both-Worlds Algorithm for Heavy-Tailed Multi-Armed Bandits | null | In this paper, we generalize the concept of heavy-tailed multi-armed bandits to adversarial environments, and develop robust best-of-both-worlds algorithms for heavy-tailed multi-armed bandits (MAB), where losses have $\alpha$-th ($1<\alpha\le 2$) moments bounded by $\sigma^\alpha$, while the variances may not exist. Specifically, we design an algorithm \texttt{HTINF}, when the heavy-tail parameters $\alpha$ and $\sigma$ are known to the agent, \texttt{HTINF} simultaneously achieves the optimal regret for both stochastic and adversarial environments, without knowing the actual environment type a-priori. When $\alpha,\sigma$ are unknown, \texttt{HTINF} achieves a $\log T$-style instance-dependent regret in stochastic cases and $o(T)$ no-regret guarantee in adversarial cases. We further develop an algorithm \texttt{AdaTINF}, achieving $\mathcal O(\sigma K^{1-\nicefrac 1\alpha}T^{\nicefrac{1}{\alpha}})$ minimax optimal regret even in adversarial settings, without prior knowledge on $\alpha$ and $\sigma$. This result matches the known regret lower-bound (Bubeck et al., 2013), which assumed a stochastic environment and $\alpha$ and $\sigma$ are both known. To our knowledge, the proposed \texttt{HTINF} algorithm is the first to enjoy a best-of-both-worlds regret guarantee, and \texttt{AdaTINF} is the first algorithm that can adapt to both $\alpha$ and $\sigma$ to achieve optimal gap-indepedent regret bound in classical heavy-tailed stochastic MAB setting and our novel adversarial formulation. | Jiatai Huang, Yan Dai, Longbo Huang | null | null | 2,022 | icml |
Robust Kernel Density Estimation with Median-of-Means principle | null | In this paper, we introduce a robust non-parametric density estimator combining the popular Kernel Density Estimation method and the Median-of-Means principle (MoM-KDE). This estimator is shown to achieve robustness for a large class of anomalous data, potentially adversarial. In particular, while previous works only prove consistency results under very specific contamination models, this work provides finite-sample high-probability error-bounds without any prior knowledge on the outliers. To highlight the robustness of our method, we introduce an influence function adapted to the considered OUI framework. Finally, we show that MoM-KDE achieves competitive results when compared with other robust kernel estimators, while having significantly lower computational complexity. | Pierre Humbert, Batiste Le Bars, Ludovic Minvielle | null | null | 2,022 | icml |
Tackling Data Heterogeneity: A New Unified Framework for Decentralized SGD with Sample-induced Topology | null | We develop a general framework unifying several gradient-based stochastic optimization methods for empirical risk minimization problems both in centralized and distributed scenarios. The framework hinges on the introduction of an augmented graph consisting of nodes modeling the samples and edges modeling both the inter-device communication and intra-device stochastic gradient computation. By designing properly the topology of the augmented graph, we are able to recover as special cases the renowned Local-SGD and DSGD algorithms, and provide a unified perspective for variance-reduction (VR) and gradient-tracking (GT) methods such as SAGA, Local-SVRG and GT-SAGA. We also provide a unified convergence analysis for smooth and (strongly) convex objectives relying on a proper structured Lyapunov function, and the obtained rate can recover the best known results for many existing algorithms. The rate results further reveal that VR and GT methods can effectively eliminate data heterogeneity within and across devices, respectively, enabling the exact convergence of the algorithm to the optimal solution. Numerical experiments confirm the findings in this paper. | Yan Huang, Ying Sun, Zehan Zhu, Changzhi Yan, Jinming Xu | null | null | 2,022 | icml |
3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design | null | Deep learning has achieved tremendous success in designing novel chemical compounds with desirable pharmaceutical properties. In this work, we focus on a new type of drug design problem — generating a small “linker” to physically attach two independent molecules with their distinct functions. The main computational challenges include: 1) the generation of linkers is conditional on the two given molecules, in contrast to generating complete molecules from scratch in previous works; 2) linkers heavily depend on the anchor atoms of the two molecules to be connected, which are not known beforehand; 3) 3D structures and orientations of the molecules need to be considered to avoid atom clashes, for which equivariance to E(3) group are necessary. To address these problems, we propose a conditional generative model, named 3DLinker, which is able to predict anchor atoms and jointly generate linker graphs and their 3D structures based on an E(3) equivariant graph variational autoencoder. So far as we know, no previous models could achieve this task. We compare our model with multiple conditional generative models modified from other molecular design tasks and find that our model has a significantly higher rate in recovering molecular graphs, and more importantly, accurately predicting the 3D coordinates of all the atoms. | Yinan Huang, Xingang Peng, Jianzhu Ma, Muhan Zhang | null | null | 2,022 | icml |
Efficient Representation Learning via Adaptive Context Pooling | null | Self-attention mechanisms model long-range context by using pairwise attention between all input tokens. In doing so, they assume a fixed attention granularity defined by the individual tokens (e.g., text characters or image pixels), which may not be optimal for modeling complex dependencies at higher levels. In this paper, we propose ContextPool to address this problem by adapting the attention granularity for each token. Inspired by the success of ConvNets that are combined with pooling to capture long-range dependencies, we learn to pool neighboring features for each token before computing attention in a given attention layer. The pooling weights and support size are adaptively determined, allowing the pooled features to encode meaningful context with varying scale. We show that ContextPool makes attention models more expressive, achieving strong performance often with fewer layers and thus significantly reduced cost. Experiments validate that our ContextPool module, when plugged into transformer models, matches or surpasses state-of-the-art performance using less compute on several language and image benchmarks, outperforms recent works with learned context sizes or sparse attention patterns, and is also applicable to ConvNets for efficient feature learning. | Chen Huang, Walter Talbott, Navdeep Jaitly, Joshua M Susskind | null | null | 2,022 | icml |
LeNSE: Learning To Navigate Subgraph Embeddings for Large-Scale Combinatorial Optimisation | null | Combinatorial Optimisation problems arise in several application domains and are often formulated in terms of graphs. Many of these problems are NP-hard, but exact solutions are not always needed. Several heuristics have been developed to provide near-optimal solutions; however, they do not typically scale well with the size of the graph. We propose a low-complexity approach for identifying a (possibly much smaller) subgraph of the original graph where the heuristics can be run in reasonable time and with a high likelihood of finding a global near-optimal solution. The core component of our approach is LeNSE, a reinforcement learning algorithm that learns how to navigate the space of possible subgraphs using an Euclidean subgraph embedding as its map. To solve CO problems, LeNSE is provided with a discriminative embedding trained using any existing heuristics using only on a small portion of the original graph. When tested on three problems (vertex cover, max-cut and influence maximisation) using real graphs with up to $10$ million edges, LeNSE identifies small subgraphs yielding solutions comparable to those found by running the heuristics on the entire graph, but at a fraction of the total run time. Code for the experiments is available in the public GitHub repo at https://github.com/davidireland3/LeNSE. | David Ireland, Giovanni Montana | null | null | 2,022 | icml |
Parsimonious Learning-Augmented Caching | null | Learning-augmented algorithms—in which, traditional algorithms are augmented with machine-learned predictions—have emerged as a framework to go beyond worst-case analysis. The overarching goal is to design algorithms that perform near-optimally when the predictions are accurate yet retain certain worst-case guarantees irrespective of the accuracy of the predictions. This framework has been successfully applied to online problems such as caching where the predictions can be used to alleviate uncertainties. In this paper we introduce and study the setting in which the learning-augmented algorithm can utilize the predictions parsimoniously. We consider the caching problem—which has been extensively studied in the learning-augmented setting—and show that one can achieve quantitatively similar results but only using a sublinear number of predictions. | Sungjin Im, Ravi Kumar, Aditya Petety, Manish Purohit | null | null | 2,022 | icml |
Bayesian Optimization for Distributionally Robust Chance-constrained Problem | null | In black-box function optimization, we need to consider not only controllable design variables but also uncontrollable stochastic environment variables. In such cases, it is necessary to solve the optimization problem by taking into account the uncertainty of the environmental variables. Chance-constrained (CC) problem, the problem of maximizing the expected value under a certain level of constraint satisfaction probability, is one of the practically important problems in the presence of environmental variables. In this study, we consider distributionally robust CC (DRCC) problem and propose a novel DRCC Bayesian optimization method for the case where the distribution of the environmental variables cannot be precisely specified. We show that the proposed method can find an arbitrary accurate solution with high probability in a finite number of trials, and confirm the usefulness of the proposed method through numerical experiments. | Yu Inatsu, Shion Takeno, Masayuki Karasuyama, Ichiro Takeuchi | null | null | 2,022 | icml |
A data-driven approach for learning to control computers | null | It would be useful for machines to use computers as humans do so that they can aid us in everyday tasks. This is a setting in which there is also the potential to leverage large-scale expert demonstrations and human judgements of interactive behaviour, which are two ingredients that have driven much recent success in AI. Here we investigate the setting of computer control using keyboard and mouse, with goals specified via natural language. Instead of focusing on hand-designed curricula and specialized action spaces, we focus on developing a scalable method centered on reinforcement learning combined with behavioural priors informed by actual human-computer interactions. We achieve state-of-the-art and human-level mean performance across all tasks within the MiniWob++ benchmark, a challenging suite of computer control problems, and find strong evidence of cross-task transfer. These results demonstrate the usefulness of a unified human-agent interface when training machines to use computers. Altogether our results suggest a formula for achieving competency beyond MiniWob++ and towards controlling computers, in general, as a human would. | Peter C Humphreys, David Raposo, Tobias Pohlen, Gregory Thornton, Rachita Chhaparia, Alistair Muldal, Josh Abramson, Petko Georgiev, Adam Santoro, Timothy Lillicrap | null | null | 2,022 | icml |
Datamodels: Understanding Predictions with Data and Data with Predictions | null | We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed “target” example $x$, training set $S$, and learning algorithm, a datamodel is a parameterized function $2^S \to \mathbb{R}$ that for any subset of $S’ \subset S$—using only information about which examples of $S$ are contained in $S’$—predicts the outcome of training a model on $S’$ and evaluating on $x$. Despite the complexity of the underlying process being approximated (e.g. end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. | Andrew Ilyas, Sung Min Park, Logan Engstrom, Guillaume Leclerc, Aleksander Madry | null | null | 2,022 | icml |
Revisiting Online Submodular Minimization: Gap-Dependent Regret Bounds, Best of Both Worlds and Adversarial Robustness | null | In this paper, we consider online decision problems with submodular loss functions. For such problems, existing studies have only dealt with worst-case analysis. This study goes beyond worst-case analysis to show instance-dependent regret bounds. More precisely, for each of the full-information and bandit-feedback settings, we propose an algorithm that achieves a gap-dependent O(log T)-regret bound in the stochastic environment and is comparable to the best existing algorithm in the adversarial environment. The proposed algorithms also work well in the stochastic environment with adversarial corruptions, which is an intermediate setting between the stochastic and adversarial environments. | Shinji Ito | null | null | 2,022 | icml |
The Dual Form of Neural Networks Revisited: Connecting Test Time Predictions to Training Patterns via Spotlights of Attention | null | Linear layers in neural networks (NNs) trained by gradient descent can be expressed as a key-value memory system which stores all training datapoints and the initial weights, and produces outputs using unnormalised dot attention over the entire training experience. While this has been technically known since the 1960s, no prior work has effectively studied the operations of NNs in such a form, presumably due to prohibitive time and space complexities and impractical model sizes, all of them growing linearly with the number of training patterns which may get very large. However, this dual formulation offers a possibility of directly visualising how an NN makes use of training patterns at test time, by examining the corresponding attention weights. We conduct experiments on small scale supervised image classification tasks in single-task, multi-task, and continual learning settings, as well as language modelling, and discuss potentials and limits of this view for better understanding and interpreting how NNs exploit training patterns. Our code is public. | Kazuki Irie, Róbert Csordás, Jürgen Schmidhuber | null | null | 2,022 | icml |
A Modern Self-Referential Weight Matrix That Learns to Modify Itself | null | The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the ’90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public. | Kazuki Irie, Imanol Schlag, Róbert Csordás, Jürgen Schmidhuber | null | null | 2,022 | icml |
Proximal Denoiser for Convergent Plug-and-Play Optimization with Nonconvex Regularization | null | Plug-and-Play (PnP) methods solve ill-posed inverse problems through iterative proximal algorithms by replacing a proximal operator by a denoising operation. When applied with deep neural network denoisers, these methods have shown state-of-the-art visual performance for image restoration problems. However, their theoretical convergence analysis is still incomplete. Most of the existing convergence results consider nonexpansive denoisers, which is non-realistic, or limit their analysis to strongly convex data-fidelity terms in the inverse problem to solve. Recently, it was proposed to train the denoiser as a gradient descent step on a functional parameterized by a deep neural network. Using such a denoiser guarantees the convergence of the PnP version of the Half-Quadratic-Splitting (PnP-HQS) iterative algorithm. In this paper, we show that this gradient denoiser can actually correspond to the proximal operator of another scalar function. Given this new result, we exploit the convergence theory of proximal algorithms in the nonconvex setting to obtain convergence results for PnP-PGD (Proximal Gradient Descent) and PnP-ADMM (Alternating Direction Method of Multipliers). When built on top of a smooth gradient denoiser, we show that PnP-PGD and PnP-ADMM are convergent and target stationary points of an explicit functional. These convergence results are confirmed with numerical experiments on deblurring, super-resolution and inpainting. | Samuel Hurault, Arthur Leclaire, Nicolas Papadakis | null | null | 2,022 | icml |
Regret Minimization with Performative Feedback | null | In performative prediction, the deployment of a predictive model triggers a shift in the data distribution. As these shifts are typically unknown ahead of time, the learner needs to deploy a model to get feedback about the distribution it induces. We study the problem of finding near-optimal models under performativity while maintaining low regret. On the surface, this problem might seem equivalent to a bandit problem. However, it exhibits a fundamentally richer feedback structure that we refer to as performative feedback: after every deployment, the learner receives samples from the shifted distribution rather than bandit feedback about the reward. Our main contribution is regret bounds that scale only with the complexity of the distribution shifts and not that of the reward function. The key algorithmic idea is careful exploration of the distribution shifts that informs a novel construction of confidence bounds on the risk of unexplored models. The construction only relies on smoothness of the shifts and does not assume convexity. More broadly, our work establishes a conceptual approach for leveraging tools from the bandits literature for the purpose of regret minimization with performative feedback. | Meena Jagadeesan, Tijana Zrnic, Celestine Mendler-Dünner | null | null | 2,022 | icml |
Biological Sequence Design with GFlowNets | null | Design of de novo biological sequences with desired properties, like protein and DNA sequences, often involves an active loop with several rounds of molecule ideation and expensive wet-lab evaluations. These experiments can consist of multiple stages, with increasing levels of precision and cost of evaluation, where candidates are filtered. This makes the diversity of proposed candidates a key consideration in the ideation phase. In this work, we propose an active learning algorithm leveraging epistemic uncertainty estimation and the recently proposed GFlowNets as a generator of diverse candidate solutions, with the objective to obtain a diverse batch of useful (as defined by some utility function, for example, the predicted anti-microbial activity of a peptide) and informative candidates after each round. We also propose a scheme to incorporate existing labeled datasets of candidates, in addition to a reward function, to speed up learning in GFlowNets. We present empirical results on several biological sequence design tasks, and we find that our method generates more diverse and novel batches with high scoring candidates compared to existing approaches. | Moksh Jain, Emmanuel Bengio, Alex Hernandez-Garcia, Jarrid Rector-Brooks, Bonaventure F. P. Dossou, Chanakya Ajit Ekbote, Jie Fu, Tianyu Zhang, Michael Kilgour, Dinghuai Zhang, Lena Simine, Payel Das, Yoshua Bengio | null | null | 2,022 | icml |
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