OpenRaiser/Intern-Atlas huggingface dataset:
Multiple-Play Stochastic Bandits with Shareable Finite-Capacity Arms
Venue: Conference ICML 2022
Year: 2022

We generalize the multiple-play multi-armed bandits (MP-MAB) problem with a shareable arm setting, in which several plays can share the same arm. Furthermore, each shareable arm has a finite reward capacity and a ''per-load'' reward distribution, both of which are unknown to the learner. The reward from a shareable arm is load-dependent, which is the "per-load" reward multiplying either the number of plays pulling the arm, or its reward capacity when the number of plays exceeds the capacity limit. When the "per-load" reward follows a Gaussian distribution, we prove a sample complexity lower bound of learning the capacity from load-dependent rewards and also a regret lower bound of this new MP-MAB problem. We devise a capacity estimator whose sample complexity upper bound matches the lower bound in terms of reward means and capacities. We also propose an online learning algorithm to address the problem and prove its regret upper bound. This regret upper bound's first term is the same as regret lower bound's, and its second and third terms also evidently correspond to lower bound's. Extensive experiments validate our algorithm's performance and also its gain in 5G & 4G base station selection.
VLMixer: Unpaired Vision-Language Pre-training via Cross-Modal CutMix
Venue: Conference ICML 2022
Year: 2022

Existing vision-language pre-training (VLP) methods primarily rely on paired image-text datasets, which are either annotated by enormous human labors, or crawled from the internet followed by elaborate data cleaning techniques. To reduce the dependency on well-aligned image-text pairs, it is promising to directly leverage the large-scale text-only and image-only corpora. This paper proposes a data augmentation method, namely cross-modal CutMix (CMC), for implicit cross-modal alignment learning in unpaired VLP. Specifically, CMC transforms natural sentences from the textual view into a multi-modal view, where visually-grounded words in a sentence are randomly replaced by diverse image patches with similar semantics. There are several appealing proprieties of the proposed CMC. First, it enhances the data diversity while keeping the semantic meaning intact for tackling problems where the aligned data are scarce; Second, by attaching cross-modal noise on uni-modal data, it guides models to learn token-level interactions across modalities for better denoising. Furthermore, we present a new unpaired VLP method, dubbed as VLMixer, that integrates CMC with contrastive learning to pull together the uni-modal and multi-modal views for better instance-level alignments among different modalities. Extensive experiments on five downstream tasks show that VLMixer could surpass previous state-of-the-art unpaired VLP methods.
Improving Screening Processes via Calibrated Subset Selection
Venue: Conference ICML 2022
Year: 2022

Many selection processes such as finding patients qualifying for a medical trial or retrieval pipelines in search engines consist of multiple stages, where an initial screening stage focuses the resources on shortlisting the most promising candidates. In this paper, we investigate what guarantees a screening classifier can provide, independently of whether it is constructed manually or trained. We find that current solutions do not enjoy distribution-free theoretical guarantees -- we show that, in general, even for a perfectly calibrated classifier, there always exist specific pools of candidates for which its shortlist is suboptimal. Then, we develop a distribution-free screening algorithm -- called Calibrated Subset Selection (CSS) -- that, given any classifier and some amount of calibration data, finds near-optimal shortlists of candidates that contain a desired number of qualified candidates in expectation. Moreover, we show that a variant of CSS that calibrates a given classifier multiple times across specific groups can create shortlists with provable diversity guarantees. Experiments on US Census survey data validate our theoretical results and show that the shortlists provided by our algorithm are superior to those provided by several competitive baselines.
DynaMixer: A Vision MLP Architecture with Dynamic Mixing
Venue: Conference ICML 2022
Year: 2022

Recently, MLP-like vision models have achieved promising performances on mainstream visual recognition tasks. In contrast with vision transformers and CNNs, the success of MLP-like models shows that simple information fusion operations among tokens and channels can yield a good representation power for deep recognition models. However, existing MLP-like models fuse tokens through static fusion operations, lacking adaptability to the contents of the tokens to be mixed. Thus, customary information fusion procedures are not effective enough. To this end, this paper presents an efficient MLP-like network architecture, dubbed DynaMixer, resorting to dynamic information fusion. Critically, we propose a procedure, on which the DynaMixer model relies, to dynamically generate mixing matrices by leveraging the contents of all the tokens to be mixed. To reduce the time complexity and improve the robustness, a dimensionality reduction technique and a multi-segment fusion mechanism are adopted. Our proposed DynaMixer model (97M parameters) achieves 84.3\% top-1 accuracy on the ImageNet-1K dataset without extra training data, performing favorably against the state-of-the-art vision MLP models. When the number of parameters is reduced to 26M, it still achieves 82.7\% top-1 accuracy, surpassing the existing MLP-like models with a similar capacity. The code is available at \url{https://github.com/ziyuwwang/DynaMixer}.
The Geometry of Robust Value Functions
Venue: Conference ICML 2022
Year: 2022

The space of value functions is a fundamental concept in reinforcement learning. Characterizing its geometric properties may provide insights for optimization and representation. Existing works mainly focus on the value space for Markov Decision Processes (MDPs). In this paper, we study the geometry of the robust value space for the more general Robust MDPs (RMDPs) setting, where transition uncertainties are considered. Specifically, since we find it hard to directly adapt prior approaches to RMDPs, we start with revisiting the non-robust case, and introduce a new perspective that enables us to characterize both the non-robust and robust value space in a similar fashion. The key of this perspective is to decompose the value space, in a state-wise manner, into unions of hypersurfaces. Through our analysis, we show that the robust value space is determined by a set of conic hypersurfaces, each of which contains the robust values of all policies that agree on one state. Furthermore, we find that taking only extreme points in the uncertainty set is sufficient to determine the robust value space. Finally, we discuss some other aspects about the robust value space, including its non-convexity and policy agreement on multiple states.
Understanding Gradual Domain Adaptation: Improved Analysis, Optimal Path and Beyond
Venue: Conference ICML 2022
Year: 2022

The vast majority of existing algorithms for unsupervised domain adaptation (UDA) focus on adapting from a labeled source domain to an unlabeled target domain directly in a one-off way. Gradual domain adaptation (GDA), on the other hand, assumes a path of $(T-1)$ unlabeled intermediate domains bridging the source and target, and aims to provide better generalization in the target domain by leveraging the intermediate ones. Under certain assumptions, Kumar et al. (2020) proposed a simple algorithm, Gradual Self-Training, along with a generalization bound in the order of $e^{O(T)} \left(\varepsilon_0+O\left(\sqrt{log(T)/n}\right)\right)$ for the target domain error, where $\varepsilon_0$ is the source domain error and $n$ is the data size of each domain. Due to the exponential factor, this upper bound becomes vacuous when $T$ is only moderately large. In this work, we analyze gradual self-training under more general and relaxed assumptions, and prove a significantly improved generalization bound as $\varepsilon_0+ O \left(TΔ+ T/\sqrt{n}\right) + \widetilde{O}\left(1/\sqrt{nT}\right)$, where $Δ$ is the average distributional distance between consecutive domains. Compared with the existing bound with an exponential dependency on $T$ as a multiplicative factor, our bound only depends on $T$ linearly and additively. Perhaps more interestingly, our result implies the existence of an optimal choice of $T$ that minimizes the generalization error, and it also naturally suggests an optimal way to construct the path of intermediate domains so as to minimize the accumulative path length $TΔ$ between the source and target. To corroborate the implications of our theory, we examine gradual self-training on multiple semi-synthetic and real datasets, which confirms our findings. We believe our insights provide a path forward toward the design of future GDA algorithms.
What Dense Graph Do You Need for Self-Attention?
Venue: Conference ICML 2022
Year: 2022

Transformers have made progress in miscellaneous tasks, but suffer from quadratic computational and memory complexities. Recent works propose sparse Transformers with attention on sparse graphs to reduce complexity and remain strong performance. While effective, the crucial parts of how dense a graph needs to be to perform well are not fully explored. In this paper, we propose Normalized Information Payload (NIP), a graph scoring function measuring information transfer on graph, which provides an analysis tool for trade-offs between performance and complexity. Guided by this theoretical analysis, we present Hypercube Transformer, a sparse Transformer that models token interactions in a hypercube and shows comparable or even better results with vanilla Transformer while yielding $O(N\log N)$ complexity with sequence length $N$. Experiments on tasks requiring various sequence lengths lay validation for our graph function well.
NP-Match: When Neural Processes meet Semi-Supervised Learning
Venue: Conference ICML 2022
Year: 2022

Semi-supervised learning (SSL) has been widely explored in recent years, and it is an effective way of leveraging unlabeled data to reduce the reliance on labeled data. In this work, we adjust neural processes (NPs) to the semi-supervised image classification task, resulting in a new method named NP-Match. NP-Match is suited to this task for two reasons. Firstly, NP-Match implicitly compares data points when making predictions, and as a result, the prediction of each unlabeled data point is affected by the labeled data points that are similar to it, which improves the quality of pseudo-labels. Secondly, NP-Match is able to estimate uncertainty that can be used as a tool for selecting unlabeled samples with reliable pseudo-labels. Compared with uncertainty-based SSL methods implemented with Monte Carlo (MC) dropout, NP-Match estimates uncertainty with much less computational overhead, which can save time at both the training and the testing phases. We conducted extensive experiments on four public datasets, and NP-Match outperforms state-of-the-art (SOTA) results or achieves competitive results on them, which shows the effectiveness of NP-Match and its potential for SSL.
Provable Domain Generalization via Invariant-Feature Subspace Recovery
Venue: Conference ICML 2022
Year: 2022

Domain generalization asks for models trained over a set of training environments to perform well in unseen test environments. Recently, a series of algorithms such as Invariant Risk Minimization (IRM) has been proposed for domain generalization. However, Rosenfeld et al. (2021) shows that in a simple linear data model, even if non-convexity issues are ignored, IRM and its extensions cannot generalize to unseen environments with less than $d_s+1$ training environments, where $d_s$ is the dimension of the spurious-feature subspace. In this paper, we propose to achieve domain generalization with Invariant-feature Subspace Recovery (ISR). Our first algorithm, ISR-Mean, can identify the subspace spanned by invariant features from the first-order moments of the class-conditional distributions, and achieve provable domain generalization with $d_s+1$ training environments under the data model of Rosenfeld et al. (2021). Our second algorithm, ISR-Cov, further reduces the required number of training environments to $O(1)$ using the information of second-order moments. Notably, unlike IRM, our algorithms bypass non-convexity issues and enjoy global convergence guarantees. Empirically, our ISRs can obtain superior performance compared with IRM on synthetic benchmarks. In addition, on three real-world image and text datasets, we show that both ISRs can be used as simple yet effective post-processing methods to improve the worst-case accuracy of (pre-)trained models against spurious correlations and group shifts.
Improving Task-free Continual Learning by Distributionally Robust Memory Evolution
Venue: Conference ICML 2022
Year: 2022

Task-free continual learning (CL) aims to learn a non-stationary data stream without explicit task definitions and not forget previous knowledge. The widely adopted memory replay approach could gradually become less effective for long data streams, as the model may memorize the stored examples and overfit the memory buffer. Second, existing methods overlook the high uncertainty in the memory data distribution since there is a big gap between the memory data distribution and the distribution of all the previous data examples. To address these problems, for the first time, we propose a principled memory evolution framework to dynamically evolve the memory data distribution by making the memory buffer gradually harder to be memorized with distributionally robust optimization (DRO). We then derive a family of methods to evolve the memory buffer data in the continuous probability measure space with Wasserstein gradient flow (WGF). The proposed DRO is w.r.t the worst-case evolved memory data distribution, thus guarantees the model performance and learns significantly more robust features than existing memory-replay-based methods. Extensive experiments on existing benchmarks demonstrate the effectiveness of the proposed methods for alleviating forgetting. As a by-product of the proposed framework, our method is more robust to adversarial examples than existing task-free CL methods. Code is available on GitHub \url{https://github.com/joey-wang123/DRO-Task-free}
Risk-Averse No-Regret Learning in Online Convex Games
Venue: Conference ICML 2022
Year: 2022

We consider an online stochastic game with risk-averse agents whose goal is to learn optimal decisions that minimize the risk of incurring significantly high costs. Specifically, we use the Conditional Value at Risk (CVaR) as a risk measure that the agents can estimate using bandit feedback in the form of the cost values of only their selected actions. Since the distributions of the cost functions depend on the actions of all agents that are generally unobservable, they are themselves unknown and, therefore, the CVaR values of the costs are difficult to compute. To address this challenge, we propose a new online risk-averse learning algorithm that relies on one-point zeroth-order estimation of the CVaR gradients computed using CVaR values that are estimated by appropriately sampling the cost functions. We show that this algorithm achieves sub-linear regret with high probability. We also propose two variants of this algorithm that improve performance. The first variant relies on a new sampling strategy that uses samples from the previous iteration to improve the estimation accuracy of the CVaR values. The second variant employs residual feedback that uses CVaR values from the previous iteration to reduce the variance of the CVaR gradient estimates. We theoretically analyze the convergence properties of these variants and illustrate their performance on an online market problem that we model as a Cournot game.
Tractable Uncertainty for Structure Learning
Venue: Conference ICML 2022
Year: 2022

Bayesian structure learning allows one to capture uncertainty over the causal directed acyclic graph (DAG) responsible for generating given data. In this work, we present Tractable Uncertainty for STructure learning (TRUST), a framework for approximate posterior inference that relies on probabilistic circuits as the representation of our posterior belief. In contrast to sample-based posterior approximations, our representation can capture a much richer space of DAGs, while also being able to tractably reason about the uncertainty through a range of useful inference queries. We empirically show how probabilistic circuits can be used as an augmented representation for structure learning methods, leading to improvement in both the quality of inferred structures and posterior uncertainty. Experimental results on conditional query answering further demonstrate the practical utility of the representational capacity of TRUST.
Understanding Instance-Level Impact of Fairness Constraints
Venue: Conference ICML 2022
Year: 2022

A variety of fairness constraints have been proposed in the literature to mitigate group-level statistical bias. Their impacts have been largely evaluated for different groups of populations corresponding to a set of sensitive attributes, such as race or gender. Nonetheless, the community has not observed sufficient explorations for how imposing fairness constraints fare at an instance level. Building on the concept of influence function, a measure that characterizes the impact of a training example on the target model and its predictive performance, this work studies the influence of training examples when fairness constraints are imposed. We find out that under certain assumptions, the influence function with respect to fairness constraints can be decomposed into a kernelized combination of training examples. One promising application of the proposed fairness influence function is to identify suspicious training examples that may cause model discrimination by ranking their influence scores. We demonstrate with extensive experiments that training on a subset of weighty data examples leads to lower fairness violations with a trade-off of accuracy.
Approximately Equivariant Networks for Imperfectly Symmetric Dynamics
Venue: Conference ICML 2022
Year: 2022

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use weight tying to enforce symmetries such as shift invariance or rotational equivariance. However, despite the fact that physical laws obey many symmetries, real-world dynamical data rarely conforms to strict mathematical symmetry either due to noisy or incomplete data or to symmetry breaking features in the underlying dynamical system. We explore approximately equivariant networks which are biased towards preserving symmetry but are not strictly constrained to do so. By relaxing equivariance constraints, we find that our models can outperform both baselines with no symmetry bias and baselines with overly strict symmetry in both simulated turbulence domains and real-world multi-stream jet flow.
Generative Coarse-Graining of Molecular Conformations
Venue: Conference ICML 2022
Year: 2022

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes accurate backmapping, i.e., restoring fine-grained (FG) coordinates from CG coordinates, a long-standing challenge. Inspired by the recent progress in generative models and equivariant networks, we propose a novel model that rigorously embeds the vital probabilistic nature and geometric consistency requirements of the backmapping transformation. Our model encodes the FG uncertainties into an invariant latent space and decodes them back to FG geometries via equivariant convolutions. To standardize the evaluation of this domain, we provide three comprehensive benchmarks based on molecular dynamics trajectories. Experiments show that our approach always recovers more realistic structures and outperforms existing data-driven methods with a significant margin.
Nonparametric Embeddings of Sparse High-Order Interaction Events
Venue: Conference ICML 2022
Year: 2022

High-order interaction events are common in real-world applications. Learning embeddings that encode the complex relationships of the participants from these events is of great importance in knowledge mining and predictive tasks. Despite the success of existing approaches, e.g. Poisson tensor factorization, they ignore the sparse structure underlying the data, namely the occurred interactions are far less than the possible interactions among all the participants. In this paper, we propose Nonparametric Embeddings of Sparse High-order interaction events (NESH). We hybridize a sparse hypergraph (tensor) process and a matrix Gaussian process to capture both the asymptotic structural sparsity within the interactions and nonlinear temporal relationships between the participants. We prove strong asymptotic bounds (including both a lower and an upper bound) of the sparsity ratio, which reveals the asymptotic properties of the sampled structure. We use batch-normalization, stick-breaking construction, and sparse variational GP approximations to develop an efficient, scalable model inference algorithm. We demonstrate the advantage of our approach in several real-world applications.
When Are Linear Stochastic Bandits Attackable?
Venue: Conference ICML 2022
Year: 2022

We study adversarial attacks on linear stochastic bandits: by manipulating the rewards, an adversary aims to control the behaviour of the bandit algorithm. Perhaps surprisingly, we first show that some attack goals can never be achieved. This is in sharp contrast to context-free stochastic bandits, and is intrinsically due to the correlation among arms in linear stochastic bandits. Motivated by this finding, this paper studies the attackability of a $k$-armed linear bandit environment. We first provide a complete necessity and sufficiency characterization of attackability based on the geometry of the arms' context vectors. We then propose a two-stage attack method against LinUCB and Robust Phase Elimination. The method first asserts whether the given environment is attackable; and if yes, it poisons the rewards to force the algorithm to pull a target arm linear times using only a sublinear cost. Numerical experiments further validate the effectiveness and cost-efficiency of the proposed attack method.
Causal Dynamics Learning for Task-Independent State Abstraction
Venue: Conference ICML 2022
Year: 2022

Learning dynamics models accurately is an important goal for Model-Based Reinforcement Learning (MBRL), but most MBRL methods learn a dense dynamics model which is vulnerable to spurious correlations and therefore generalizes poorly to unseen states. In this paper, we introduce Causal Dynamics Learning for Task-Independent State Abstraction (CDL), which first learns a theoretically proved causal dynamics model that removes unnecessary dependencies between state variables and the action, thus generalizing well to unseen states. A state abstraction can then be derived from the learned dynamics, which not only improves sample efficiency but also applies to a wider range of tasks than existing state abstraction methods. Evaluated on two simulated environments and downstream tasks, both the dynamics model and policies learned by the proposed method generalize well to unseen states and the derived state abstraction improves sample efficiency compared to learning without it.