NeurIPS 2023 论文列表

This paper focuses on supervised and unsupervised online label shift, where the class marginals $Q(y)$ varies but the class-conditionals $Q(x|y)$ remain invariant. In the unsupervised setting, our goal is to adapt a learner, trained on some offline labeled data, to changing label distributions given unlabeled online data. In the supervised setting, we must both learn a classifier and adapt to the dynamically evolving class marginals given only labeled online data. We develop novel algorithms that reduce the adaptation problem to online regression and guarantee optimal dynamic regret without any prior knowledge of the extent of drift in the label distribution. Our solution is based on bootstrapping the estimates of *online regression oracles* that track the drifting proportions. Experiments across numerous simulated and real-world online label shift scenarios demonstrate the superior performance of our proposed approaches, often achieving 1-3% improvement in accuracy while being sample and computationally efficient. Code is publicly available at https://github.com/Anon-djiwh/OnlineLabelShift

Temporal difference (TD) learning is often used to update the estimate of the value function which is used by RL agents to extract useful policies. In this paper, we focus on value function estimation in continual reinforcement learning. We propose to decompose the value function into two components which update at different timescales: a _permanent_ value function, which holds general knowledge that persists over time, and a _transient_ value function, which allows quick adaptation to new situations. We establish theoretical results showing that our approach is well suited for continual learning and draw connections to the complementary learning systems (CLS) theory from neuroscience. Empirically, this approach improves performance significantly on both prediction and control problems.

We introduce MLFMF, a collection of data sets for benchmarking recommendation systems used to support formalization of mathematics with proof assistants. These systems help humans identify which previous entries (theorems, constructions, datatypes, and postulates) are relevant in proving a new theorem or carrying out a new construction. Each data set is derived from a library of formalized mathematics written in proof assistants Agda or Lean. The collection includes the largest Lean 4 library Mathlib, and some of the largest Agda libraries: the standard library, the library of univalent mathematics Agda-unimath, and the TypeTopology library. Each data set represents the corresponding library in two ways: as a heterogeneous network, and as a list of s-expressions representing the syntax trees of all the entries in the library. The network contains the (modular) structure of the library and the references between entries, while the s-expressions give complete and easily parsed information about every entry. We report baseline results using standard graph and word embeddings, tree ensembles, and instance-based learning algorithms. The MLFMF data sets provide solid benchmarking support for further investigation of the numerous machine learning approaches to formalized mathematics. The methodology used to extract the networks and the s-expressions readily applies to other libraries, and is applicable to other proof assistants. With more than $250\,000$ entries in total, this is currently the largest collection of formalized mathematical knowledge in machine learnable format.

Most advanced unsupervised anomaly detection (UAD) methods rely on modeling feature representations of frozen encoder networks pre-trained on large-scale datasets, e.g. ImageNet. However, the features extracted from the encoders that are borrowed from natural image domains coincide little with the features required in the target UAD domain, such as industrial inspection and medical imaging. In this paper, we propose a novel epistemic UAD method, namely ReContrast, which optimizes the entire network to reduce biases towards the pre-trained image domain and orients the network in the target domain. We start with a feature reconstruction approach that detects anomalies from errors. Essentially, the elements of contrastive learning are elegantly embedded in feature reconstruction to prevent the network from training instability, pattern collapse, and identical shortcut, while simultaneously optimizing both the encoder and decoder on the target domain. To demonstrate our transfer ability on various image domains, we conduct extensive experiments across two popular industrial defect detection benchmarks and three medical image UAD tasks, which shows our superiority over current state-of-the-art methods.

Nearly all real world tasks are inherently partially observable, necessitating the use of memory in Reinforcement Learning (RL). Most model-free approaches summarize the trajectory into a latent Markov state using memory models borrowed from Supervised Learning (SL), even though RL tends to exhibit different training and efficiency characteristics. Addressing this discrepancy, we introduce Fast and Forgetful Memory, an algorithm-agnostic memory model designed specifically for RL. Our approach constrains the model search space via strong structural priors inspired by computational psychology. It is a drop-in replacement for recurrent neural networks (RNNs) in recurrent RL algorithms, achieving greater reward than RNNs across various recurrent benchmarks and algorithms _without changing any hyperparameters_. Moreover, Fast and Forgetful Memory exhibits training speeds two orders of magnitude faster than RNNs, attributed to its logarithmic time and linear space complexity. Our implementation is available at https://github.com/proroklab/ffm.

A desirable data selection algorithm can efficiently choose the most informative samples to maximize the utility of limited annotation budgets. However, current approaches, represented by active learning methods, typically follow a cumbersome pipeline that iterates the time-consuming model training and batch data selection repeatedly. In this paper, we challenge this status quo by designing a distinct data selection pipeline that utilizes existing general-purpose models to select data from various datasets with a single-pass inference without the need for additional training or supervision. A novel free data selection (FreeSel) method is proposed following this new pipeline. Specifically, we define semantic patterns extracted from inter-mediate features of the general-purpose model to capture subtle local information in each image. We then enable the selection of all data samples in a single pass through distance-based sampling at the fine-grained semantic pattern level. FreeSel bypasses the heavy batch selection process, achieving a significant improvement in efficiency and being 530x faster than existing active learning methods. Extensive experiments verify the effectiveness of FreeSel on various computer vision tasks.

We investigate the problem of corruption robustness in offline reinforcement learning (RL) with general function approximation, where an adversary can corrupt each sample in the offline dataset, and the corruption level $\zeta\geq0$ quantifies the cumulative corruption amount over $n$ episodes and $H$ steps. Our goal is to find a policy that is robust to such corruption and minimizes the suboptimality gap with respect to the optimal policy for the uncorrupted Markov decision processes (MDPs). Drawing inspiration from the uncertainty-weighting technique from the robust online RL setting \citep{he2022nearly,ye2022corruptionrobust}, we design a new uncertainty weight iteration procedure to efficiently compute on batched samples and propose a corruption-robust algorithm for offline RL. Notably, under the assumption of single policy coverage and the knowledge of $\zeta$, our proposed algorithm achieves a suboptimality bound that is worsened by an additive factor of $\mathcal O(\zeta \cdot (\text CC(\lambda,\hat{\mathcal F},\mathcal Z_n^H))^{1/2} (C(\hat{\mathcal F},\mu))^{-1/2} n^{-1})$ due to the corruption. Here $\text CC(\lambda,\hat{\mathcal F},\mathcal Z_n^H)$ is the coverage coefficient that depends on the regularization parameter $\lambda$, the confidence set $\hat{\mathcal F}$, and the dataset $\mathcal Z_n^H$, and $C(\hat{\mathcal F},\mu)$ is a coefficient that depends on $\hat{\mathcal F}$ and the underlying data distribution $\mu$. When specialized to linear MDPs, the corruption-dependent error term reduces to $\mathcal O(\zeta d n^{-1})$ with $d$ being the dimension of the feature map, which matches the existing lower bound for corrupted linear MDPs. This suggests that our analysis is tight in terms of the corruption-dependent term.

Recent years have witnessed a significant increase in the storage density of NAND flash memory, making it a critical component in modern electronic devices. However, with the rise in storage capacity comes an increased likelihood of errors in data storage and retrieval. The growing number of errors poses ongoing challenges for system designers and engineers, in terms of the characterization, modeling, and optimization of NAND-based systems. We present a novel approach for modeling and preventing errors by utilizing the capabilities of generative and unsupervised machine learning methods. As part of our research, we constructed and trained a neural modulator that translates information bits into programming operations on each memory cell in NAND devices. Our modulator, tailored explicitly for flash memory channels, provides a smart writing scheme that reduces programming errors as well as compensates for data degradation over time. Specifically, the modulator is based on an auto-encoder architecture with an additional channel model embedded between the encoder and the decoder. A conditional generative adversarial network (cGAN) was used to construct the channel model. Optimized for the end-of-life work-point, the learned memory system outperforms the prior art by up to 56\% in raw bit error rate (RBER) and extends the lifetime of the flash memory block by up to 25\%.

Out-of-distribution (OOD) generalization is indispensable for learning models in the wild, where testing distribution typically unknown and different from the training. Recent methods derived from causality have shown great potential in achieving OOD generalization. However, existing methods mainly focus on the invariance property of causes, while largely overlooking the property of sufficiency and necessity conditions. Namely, a necessary but insufficient cause (feature) is invariant to distribution shift, yet it may not have required accuracy. By contrast, a sufficient yet unnecessary cause (feature) tends to fit specific data well but may have a risk of adapting to a new domain. To capture the information of sufficient and necessary causes, we employ a classical concept, the probability of sufficiency and necessary causes (PNS), which indicates the probability of whether one is the necessary and sufficient cause. To associate PNS with OOD generalization, we propose PNS risk and formulate an algorithm to learn representation with a high PNS value. We theoretically analyze and prove the generalizability of the PNS risk. Experiments on both synthetic and real-world benchmarks demonstrate the effectiveness of the proposed method. The detailed implementation can be found at the GitHub repository: https://github.com/ymy4323460/CaSN.

The generalization capability of machine learning systems degenerates notably when the test distribution drifts from the training distribution. Recently, Domain Generalization (DG) has been gaining momentum in enabling machine learning models to generalize to unseen domains. However, most DG methods assume that training and test data share an identical label space, ignoring the potential unseen categories in many real-world applications. In this paper, we delve into a more general but difficult problem termed Open Test-Time DG (OTDG), where both domain shift and open class may occur on the unseen test data. We propose Compaction and Disambiguation (CODA), a novel two-stage framework for learning compact representations and adapting to open classes in the wild. To meaningfully regularize the model's decision boundary, CODA introduces virtual unknown classes and optimizes a new training objective to insert unknowns into the latent space by compacting the embedding space of source known classes. To adapt target samples to the source model, we then disambiguate the decision boundaries between known and unknown classes with a test-time training objective, mitigating the adaptivity gap and catastrophic forgetting challenges. Experiments reveal that CODA can significantly outperform the previous best method on standard DG datasets and harmonize the classification accuracy between known and unknown classes.

Privacy-Preserving Action Recognition (PPAR) aims to transform raw videos into anonymous ones to prevent privacy leakage while maintaining action clues, which is an increasingly important problem in intelligent vision applications. Despite recent efforts in this task, it is still challenging to deal with novel privacy attributes and novel privacy attack models that are unavailable during the training phase. In this paper, from the perspective of meta-learning (learning to learn), we propose a novel Meta Privacy-Preserving Action Recognition (MPPAR) framework to improve both generalization abilities above (i.e., generalize to *novel privacy attributes* and *novel privacy attack models*) in a unified manner. Concretely, we simulate train/test task shifts by constructing disjoint support/query sets w.r.t. privacy attributes or attack models. Then, a virtual training and testing scheme is applied based on support/query sets to provide feedback to optimize the model's learning toward better generalization. Extensive experiments demonstrate the effectiveness and generalization of the proposed framework compared to state-of-the-arts.

We propose novel statistics which maximise the power of a two-sample test based on the Maximum Mean Discrepancy (MMD), by adapting over the set of kernels used in defining it. For finite sets, this reduces to combining (normalised) MMD values under each of these kernels via a weighted soft maximum. Exponential concentration bounds are proved for our proposed statistics under the null and alternative. We further show how these kernels can be chosen in a data-dependent but permutation-independent way, in a well-calibrated test, avoiding data splitting. This technique applies more broadly to general permutation-based MMD testing, and includes the use of deep kernels with features learnt using unsupervised models such as auto-encoders. We highlight the applicability of our MMD-Fuse tests on both synthetic low-dimensional and real-world high-dimensional data, and compare its performance in terms of power against current state-of-the-art kernel tests.

Clustering is a fundamental problem in unsupervised machine learning with many applications in data analysis. Popular clustering algorithms such as Lloyd's algorithm and $k$-means++ can take $\Omega(ndk)$ time when clustering $n$ points in a $d$-dimensional space (represented by an $n\times d$ matrix $X$) into $k$ clusters. On massive datasets with moderate to large $k$, the multiplicative $k$ factor can become very expensive. We introduce a simple randomized clustering algorithm that provably runs in expected time $O(\mathsf{nnz}(X) + n\log n)$ for arbitrary $k$. Here $\mathsf{nnz}(X)$ is the total number of non-zero entries in the input dataset $X$, which is upper bounded by $nd$ and can be significantly smaller for sparse datasets. We prove that our algorithm achieves approximation ratio $\widetilde{O}(k^4)$ on any input dataset for the $k$-means objective, and our experiments show that the quality of the clusters found by our algorithm is usually much better than this worst-case bound. We use our algorithm for $k$-means clustering and for coreset construction; our experiments show that it gives a new tradeoff between running time and cluster quality compared to previous state-of-the-art methods for these tasks. Our theoretical analysis is based on novel results of independent interest. We show that the approximation ratio achieved after a random one-dimensional projection can be lifted to the original points and that $k$-means++ seeding can be implemented in expected time $O(n\log n)$ in one dimension.

In partial multi-label learning (PML), each training example is associated with a set of candidate labels, among which only some labels are valid. As a common strategy to tackle PML problem, disambiguation aims to recover the ground-truth labeling information from such inaccurate annotations. However, existing approaches mainly rely on heuristics or ad-hoc rules to disambiguate candidate labels, which may not be universal enough in complicated real-world scenarios. To provide a principled way for disambiguation, we make a first attempt to explore the probabilistic graphical model for PML problem, where a directed graph is tailored to infer latent ground-truth labeling information from the generative process of partial multi-label data. Under the framework of stochastic gradient variational Bayes, a unified variational lower bound is derived for this graphical model, which is further relaxed probabilistically so that the desired prediction model can be induced with simultaneously identified ground-truth labeling information. Comprehensive experiments on multiple synthetic and real-world data sets show that our approach outperforms the state-of-the-art counterparts.

Adaptivity to the difficulties of a problem is a key property in sequential decision-making problems to broaden the applicability of algorithms. Follow-the-regularized-leader (FTRL) has recently emerged as one of the most promising approaches for obtaining various types of adaptivity in bandit problems. Aiming to further generalize this adaptivity, we develop a generic adaptive learning rate, called stability-penalty-adaptive (SPA) learning rate for FTRL. This learning rate yields a regret bound jointly depending on stability and penalty of the algorithm, into which the regret of FTRL is typically decomposed. With this result, we establish several algorithms with three types of adaptivity: sparsity, game-dependency, and best-of-both-worlds (BOBW). Despite the fact that sparsity appears frequently in real problems, existing sparse multi-armed bandit algorithms with $k$-arms assume that the sparsity level $s \leq k$ is known in advance, which is often not the case in real-world scenarios. To address this issue, we first establish $s$-agnostic algorithms with regret bounds of $\tilde{O}(\sqrt{sT})$ in the adversarial regime for $T$ rounds, which matches the existing lower bound up to a logarithmic factor. Meanwhile, BOBW algorithms aim to achieve a near-optimal regret in both the stochastic and adversarial regimes. Leveraging the SPA learning rate and the technique for $s$-agnostic algorithms combined with a new analysis to bound the variation in FTRL output in response to changes in a regularizer, we establish the first BOBW algorithm with a sparsity-dependent bound. Additionally, we explore partial monitoring and demonstrate that the proposed SPA learning rate framework allows us to achieve a game-dependent bound and the BOBW simultaneously.

The problem of piecewise affine (PWA) regression and planning is of foundational importance to the study of online learning, control, and robotics, where it provides a theoretically and empirically tractable setting to study systems undergoing sharp changes in the dynamics. Unfortunately, due to the discontinuities that arise when crossing into different ``pieces,'' learning in general sequential settings is impossible and practical algorithms are forced to resort to heuristic approaches. This paper builds on the recently developed smoothed online learning framework and provides the first algorithms for prediction and simulation in PWA systems whose regret is polynomial in all relevant problem parameters under a weak smoothness assumption; moreover, our algorithms are efficient in the number of calls to an optimization oracle. We further apply our results to the problems of one-step prediction and multi-step simulation regret in piecewise affine dynamical systems, where the learner is tasked with simulating trajectories and regret is measured in terms of the Wasserstein distance between simulated and true data. Along the way, we develop several technical tools of more general interest.

We introduce and study the notion of Swap Agnostic Learning. The problem can be phrased as a game between a *predictor* and an *adversary*: first, the predictor selects a hypothesis $h$; then, the adversary plays in response, and for each level set of the predictor, selects a loss-minimizing hypothesis $c_v \in \mathcal{C}$; the predictor wins if $h$ competes with the adaptive adversary's loss. Despite the strength of the adversary, our main result demonstrates the feasibility Swap Agnostic Learning for any convex loss. Somewhat surprisingly, the result follows by proving an *equivalence* between Swap Agnostic Learning and swap variants of the recent notions Omniprediction (ITCS'22) and Multicalibration (ICML'18). Beyond this equivalence, we establish further connections to the literature on Outcome Indistinguishability (STOC'20, ITCS'23), revealing a unified notion of OI that captures all existing notions of omniprediction and multicalibration.

Traditional federated learning (FL) algorithms operate under the assumption that the data distributions at training (source domains) and testing (target domain) are the same. The fact that domain shifts often occur in practice necessitates equipping FL methods with a domain generalization (DG) capability. However, existing DG algorithms face fundamental challenges in FL setups due to the lack of samples/domains in each client’s local dataset. In this paper, we propose StableFDG, a style and attention based learning strategy for accomplishing federated domain generalization, introducing two key contributions. The first is style-based learning, which enables each client to explore novel styles beyond the original source domains in its local dataset, improving domain diversity based on the proposed style sharing, shifting, and exploration strategies. Our second contribution is an attention-based feature highlighter, which captures the similarities between the features of data samples in the same class, and emphasizes the important/common characteristics to better learn the domain-invariant characteristics of each class in data-poor FL scenarios. Experimental results show that StableFDG outperforms existing baselines on various DG benchmark datasets, demonstrating its efficacy.

Quantum optimization, a key application of quantum computing, has traditionally been stymied by the linearly increasing complexity of gradient calculations with an increasing number of parameters. This work bridges the gap between Koopman operator theory, which has found utility in applications because it allows for a linear representation of nonlinear dynamical systems, and natural gradient methods in quantum optimization, leading to a significant acceleration of gradient-based quantum optimization. We present Quantum-circuit Alternating Controlled Koopman learning (QuACK), a novel framework that leverages an alternating algorithm for efficient prediction of gradient dynamics on quantum computers. We demonstrate QuACK's remarkable ability to accelerate gradient-based optimization across a range of applications in quantum optimization and machine learning. In fact, our empirical studies, spanning quantum chemistry, quantum condensed matter, quantum machine learning, and noisy environments, have shown accelerations of more than 200x speedup in the overparameterized regime, 10x speedup in the smooth regime, and 3x speedup in the non-smooth regime. With QuACK, we offer a robust advancement that harnesses the advantage of gradient-based quantum optimization for practical benefits.