Rigorously establishing the safety of black-box machine learning models with respect to critical risk measures is important for providing guarantees about the behavior of the model.Recently, a notion of a risk controlling prediction set (RCPS) has been introduced by Bates et. al. (JACM '24) for producing prediction sets that are statistically guaranteed to have low risk from machine learning models.Our method extends this notion to the sequential setting, where we provide guarantees even when the data is collected adaptively, and ensures the risk guarantee is anytime-valid, i.e., simultaneously holds at all time steps. Further, we propose a framework for constructing RCPSes for active labeling, i.e., allowing one to use a labeling policy that chooses whether to query the true label for each received data point, and ensures the expected proportion data points whose labels are queried are below a predetermined label budget. We also describe how to use predictors (e.g., the machine learning model we are providing risk control guarantees for) to further improve the utility of our RCPSes by estimating the expected risk conditioned on the covariates.We characterize the optimal choices of label policy under a fixed label budget, and predictor, and show a regret result that relates the estimation error of the optimal labeling policy and predictor to the wealth process that underlies our RCPSes.Lastly, we present practical ways of formulating label policies and we empirically show that our label policies use fewer labels to reach higher utility than naive baseline labeling strategies on both simulations and real data.
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Robotics
We introduce a new task called Adaptable Error Detection (AED), which aims to identify behavior errors in few-shot imitation (FSI) policies based on visual observations in novel environments. The potential to cause serious damage to surrounding areas limits the application of FSI policies in real-world scenarios. Thus, a robust system is necessary to notify operators when FSI policies are inconsistent with the intent of demonstrations. This task introduces three challenges: (1) detecting behavior errors in novel environments, (2) identifying behavior errors that occur without revealing notable changes, and (3) lacking complete temporal information of the rollout due to the necessity of online detection. However, the existing benchmarks cannot support the development of AED because their tasks do not present all these challenges. To this end, we develop a cross-domain AED benchmark, consisting of 322 base and 153 novel environments. Additionally, we propose Pattern Observer (PrObe) to address these challenges. PrObe is equipped with a powerful pattern extractor and guided by novel learning objectives to parse discernible patterns in the policy feature representations of normal or error states. Through our comprehensive evaluation, PrObe demonstrates superior capability to detect errors arising from a wide range of FSI policies, consistently surpassing strong baselines. Moreover, we conduct detailed ablations and a pilot study on error correction to validate the effectiveness of the proposed architecture design and the practicality of the AED task, respectively. The AED project page can be found at https://aed-neurips.github.io/.
Miscellaneous Aspects of Machine Learning · Kernel methods
The kernel thinning algorithm of Dwivedi & Mackey (2024) provides a better-than-i.i.d. compression of a generic set of points. By generating high-fidelity coresets of size significantly smaller than the input points, KT is known to speed up unsupervised tasks like Monte Carlo integration, uncertainty quantification, and non-parametric hypothesis testing, with minimal loss in statistical accuracy. In this work, we generalize the KT algorithm to speed up supervised learning problems involving kernel methods. Specifically, we combine two classical algorithms---Nadaraya-Watson (NW) regression or kernel smoothing, and kernel ridge regression (KRR)---with KT to provide a quadratic speed-up in both training and inference times. We show how distribution compression with KT in each setting reduces to constructing an appropriate kernel, and introduce the Kernel-Thinned NW and Kernel-Thinned KRR estimators. We prove that KT-based regression estimators enjoy significantly superior computational efficiency over the full-data estimators and improved statistical efficiency over i.i.d. subsampling of the training data. En route, we also provide a novel multiplicative error guarantee for compressing with KT. We validate our design choices with both simulations and real data experiments.
Generative Models · Diffusion models
Advanced image editing techniques, particularly inpainting, are essential for seamlessly removing unwanted elements while preserving visual integrity. Traditional GAN-based methods have achieved notable success, but recent advancements in diffusion models have produced superior results due to their training on large-scale datasets, enabling the generation of remarkably realistic inpainted images.Despite their strengths, diffusion models often struggle with object removal tasks without explicit guidance, leading to unintended hallucinations of the removed object. To address this issue, we introduce CLIPAway, a novel approach leveraging CLIP embeddings to focus on background regions while excluding foreground elements. CLIPAway enhances inpainting accuracy and quality by identifying embeddings that prioritize the background, thus achieving seamless object removal. Unlike other methods that rely on specialized training datasets or costly manual annotations, CLIPAway provides a flexible, plug-and-play solution compatible with various diffusion-based inpainting techniques.
Computer Vision
Low-bit quantization has become widespread for compressing image super-resolution (SR) models for edge deployment, which allows advanced SR models to enjoy compact low-bit parameters and efficient integer/bitwise constructions for storage compression and inference acceleration, respectively. However, it is notorious that low-bit quantization degrades the accuracy of SR models compared to their full-precision (FP) counterparts. Despite several efforts to alleviate the degradation, the transformer-based SR model still suffers severe degradation due to its distinctive activation distribution. In this work, we present a dual-stage low-bit post-training quantization (PTQ) method for image super-resolution, namely 2DQuant, which achieves efficient and accurate SR under low-bit quantization. The proposed method first investigates the weight and activation and finds that the distribution is characterized by coexisting symmetry and asymmetry, long tails. Specifically, we propose Distribution-Oriented Bound Initialization (DOBI), using different searching strategies to search a coarse bound for quantizers. To obtain refined quantizer parameters, we further propose Distillation Quantization Calibration (DQC), which employs a distillation approach to make the quantized model learn from its FP counterpart. Through extensive experiments on different bits and scaling factors, the performance of DOBI can reach the state-of-the-art (SOTA) while after stage two, our method surpasses existing PTQ in both metrics and visual effects. 2DQuant gains an increase in PSNR as high as 4.52dB on Set5 (x2) compared with SOTA when quantized to 2-bit and enjoys a 3.60x compression ratio and 5.08x speedup ratio. The code and models are available at https://github.com/Kai-Liu001/2DQuant.
Computer Vision
Multi-Channel Imaging (MCI) contains an array of challenges for encoding useful feature representations not present in traditional images. For example, images from two different satellites may both contain RGB channels, but the remaining channels can be different for each imaging source. Thus, MCI models must support a variety of channel configurations at test time. Recent work has extended traditional visual encoders for MCI, such as Vision Transformers (ViT), by supplementing pixel information with an encoding representing the channel configuration. However, these methods treat each channel equally, i.e., they do not consider the unique properties of each channel type, which can result in needless and potentially harmful redundancies in the learned features. For example, if RGB channels are always present, the other channels can focus on extracting information that cannot be captured by the RGB channels. To this end, we propose DiChaViT, which aims to enhance the diversity in the learned features of MCI-ViT models. This is achieved through a novel channel sampling strategy that encourages the selection of more distinct channel sets for training. Additionally, we employ regularization and initialization techniques to increase the likelihood that new information is learned from each channel. Many of our improvements are architecture agnostic and can be incorporated into new architectures as they are developed. Experiments on both satellite and cell microscopy datasets, CHAMMI, JUMP-CP, and So2Sat, report DiChaViT yields a 1.5 - 5.0% gain over the state-of-the-art. Our code is publicly available at https://github.com/chaudatascience/diverse_channel_vit.
Computer Vision · Image Generation
This paper studies the challenging task of makeup transfer, which aims to apply diverse makeup styles precisely and naturally to a given facial image. Due to the absence of paired data, current methods typically synthesize sub-optimal pseudo ground truths to guide the model training, resulting in low makeup fidelity. Additionally, different makeup styles generally have varying effects on the person face, but existing methods struggle to deal with this diversity. To address these issues, we propose a novel Self-supervised Hierarchical Makeup Transfer (SHMT) method via latent diffusion models. Following a "decoupling-and-reconstruction" paradigm, SHMT works in a self-supervised manner, freeing itself from the misguidance of imprecise pseudo-paired data. Furthermore, to accommodate a variety of makeup styles, hierarchical texture details are decomposed via a Laplacian pyramid and selectively introduced to the content representation. Finally, we design a novel Iterative Dual Alignment (IDA) module that dynamically adjusts the injection condition of the diffusion model, allowing the alignment errors caused by the domain gap between content and makeup representations to be corrected. Extensive quantitative and qualitative analyses demonstrate the effectiveness of our method. Our code is available at https://github.com/Snowfallingplum/SHMT.
Causality
Estimating individualized treatment rules (ITRs) is fundamental in causal inference, particularly for precision medicine applications. Traditional ITR estimation methods rely on inverse probability weighting (IPW) to address confounding factors and $L_{1}$-penalization for simplicity and interpretability. However, IPW can introduce statistical bias without precise propensity score modeling, while $L_1$-penalization makes the objective non-smooth, leading to computational bias and requiring subgradient methods. In this paper, we propose a unified ITR estimation framework formulated as a constrained, weighted, and smooth convex optimization problem. The optimal ITR can be robustly and effectively computed by projected gradient descent. Our comprehensive theoretical analysis reveals that weights that balance the spectrum of a `weighted design matrix' improve both the optimization and likelihood landscapes, yielding improved computational and statistical estimation guarantees. In particular, this is achieved by distributional covariate balancing weights, which are model-free alternatives to IPW. Extensive simulations and applications demonstrate that our framework achieves significant gains in both robustness and effectiveness for ITR learning against existing methods.
Reinforcement Learning · Everything Else
The recent rapid advancement of machine learning has been driven by increasingly powerful models with the growing availability of training data and computational resources. However, real-time decision-making tasks with limited time and sparse learning signals remain challenging. One way of improving the learning speed and performance of these agents is to leverage human guidance. In this work, we introduce GUIDE, a framework for real-time human-guided reinforcement learning by enabling continuous human feedback and grounding such feedback into dense rewards to accelerate policy learning. Additionally, our method features a simulated feedback module that learns and replicates human feedback patterns in an online fashion, effectively reducing the need for human input while allowing continual training. We demonstrate the performance of our framework on challenging tasks with sparse rewards and visual observations. Our human study involving 50 subjects offers strong quantitative and qualitative evidence of the effectiveness of our approach. With only 10 minutes of human feedback, our algorithm achieves up to 30\% increase in success rate compared to its RL baseline.
Theory · Reinforcement Learning and Planning
This paper introduces the risk-sensitive control as inference (RCaI) that extends CaI by using Rényi divergence variational inference. RCaI is shown to be equivalent to log-probability regularized risk-sensitive control, which is an extension of the maximum entropy (MaxEnt) control. We also prove that the risk-sensitive optimal policy can be obtained by solving a soft Bellman equation, which reveals several equivalences between RCaI, MaxEnt control, the optimal posterior for CaI, and linearly-solvable control. Moreover, based on RCaI, we derive the risk-sensitive reinforcement learning (RL) methods: the policy gradient and the soft actor-critic. As the risk-sensitivity parameter vanishes, we recover the risk-neutral CaI and RL, which means that RCaI is a unifying framework. Furthermore, we give another risk-sensitive generalization of the MaxEnt control using Rényi entropy regularization. We show that in both of our extensions, the optimal policies have the same structure even though the derivations are very different.
Theory · Reinforcement Learning and Planning
Real-world applications of reinforcement learning often involve environments where agents operate on complex, high-dimensional observations, but the underlying (``latent'') dynamics are comparatively simple. However, beyond restrictive settings such as tabular latent dynamics, the fundamental statistical requirements and algorithmic principles for *reinforcement learning under latent dynamics* are poorly understood. This paper addresses the question of reinforcement learning under *general latent dynamics* from a statistical and algorithmic perspective. On the statistical side, our main negativeresult shows that *most* well-studied settings for reinforcement learning with function approximation become intractable when composed with rich observations; we complement this with a positive result, identifying *latent pushforward coverability* as ageneral condition that enables statistical tractability. Algorithmically, we develop provably efficient *observable-to-latent* reductions ---that is, reductions that transform an arbitrary algorithm for the latent MDP into an algorithm that can operate on rich observations--- in two settings: one where the agent has access to hindsightobservations of the latent dynamics (Lee et al., 2023) and onewhere the agent can estimate *self-predictive* latent models (Schwarzer et al., 2020). Together, our results serve as a first step toward a unified statistical and algorithmic theory forreinforcement learning under latent dynamics.
In recent years, transformer-based models have revolutionized deep learning, particularly in sequence modeling. To better understand this phenomenon, there is a growing interest in using Markov input processes to study transformers. However, our current understanding in this regard remains limited with many fundamental questions about how transformers learn Markov chains still unanswered. In this paper, we address this by focusing on first-order Markov chains and single-layer transformers, providing a comprehensive characterization of the learning dynamics in this context. Specifically, we prove that transformer parameters trained on next-token prediction loss can either converge to global or local minima, contingent on the initialization and the Markovian data properties, and we characterize the precise conditions under which this occurs. To the best of our knowledge, this is the first result of its kind highlighting the role of initialization. We further demonstrate that our theoretical findings are corroborated by empirical evidence. Based on these insights, we provide guidelines for the initialization of single-layer transformers and demonstrate their effectiveness. Finally, we outline several open problems in this arena. Code is available at: \url{https://github.com/Bond1995/Markov}.
Optimization · Large Scale, Parallel and Distributed
Due to the heterogeneous architectures and class skew, the global representation models training in resource-adaptive federated self-supervised learning face with tricky challenges: $\textit{deviated representation abilities}$ and $\textit{inconsistent representation spaces}$. In this work, we are the first to propose a multi-teacher knowledge distillation framework, namely $\textit{FedMKD}$, to learn global representations with whole class knowledge from heterogeneous clients even under extreme class skew. Firstly, the adaptive knowledge integration mechanism is designed to learn better representations from all heterogeneous models with deviated representation abilities. Then the weighted combination of the self-supervised loss and the distillation loss can support the global model to encode all classes from clients into a unified space. Besides, the global knowledge anchored alignment module can make the local representation spaces close to the global spaces, which further improves the representation abilities of local ones. Finally, extensive experiments conducted on two datasets demonstrate the effectiveness of $\textit{FedMKD}$ which outperforms state-of-the-art baselines 4.78\% under linear evaluation on average.
Deep Learning · Theory
Transformers have achieved significant success in natural language modeling because of their exceptional capabilities to combine contextual information and global knowledge, yet their theoretical basis remains unclear. In this paper, we first propose Sparse Contextual Bigram (SCB), a natural extension to the classical bigram model, where the generation of the next token depends on a sparse set of earlier positions determined by the last token. We investigate the training dynamics and sample complexity of learning SCB using a one-layer linear transformer with a gradient-based algorithm. We show that when trained from scratch, the training process can be split into an initial sample-intensive stage where the correlation is boosted from zero to a nontrivial value, followed by a more sample-efficient stage of further improvement. Additionally, we prove that, provided a nontrivial correlation between the downstream and pretraining tasks, finetuning from a pretrained model allows us to bypass the initial sample-intensive stage. We also empirically demonstrate that our algorithm can outperform SGD in our setting.
Theory · Reinforcement Learning and Planning
Distributional reinforcement learning (DRL) has achieved empirical success in various domains.One of the core tasks in the field of DRL is distributional policy evaluation, which involves estimating the return distribution $\eta^\pi$ for a given policy $\pi$.The distributional temporal difference learning has been accordingly proposed, whichis an extension of the temporal difference learning (TD) in the classic RL area.In the tabular case, Rowland et al. [2018] and Rowland et al. [2023] proved the asymptotic convergence of two instances of distributional TD, namely categorical temporal difference learning (CTD) and quantile temporal difference learning (QTD), respectively.In this paper, we go a step further and analyze the finite-sample performance of distributional TD.To facilitate theoretical analysis, we propose a non-parametric distributional TD learning (NTD).For a $\gamma$-discounted infinite-horizon tabular Markov decision process,we show that for NTD we need $\widetilde O\left(\frac{1}{\varepsilon^{2p}(1-\gamma)^{2p+1}}\right)$ iterations to achieve an $\varepsilon$-optimal estimator with high probability, when the estimation error is measured by the $p$-Wasserstein distance.This sample complexity bound is minimax optimal (up to logarithmic factors) in the case of the $1$-Wasserstein distance.To achieve this, we establish a novel Freedman's inequality in Hilbert spaces, which would be of independent interest.In addition, we revisit CTD, showing that the same non-asymptotic convergence bounds hold for CTD in the case of the $p$-Wasserstein distance.
In a great number of tasks in science and engineering, the goal is to infer an unknown image from a small number of noisy measurements collected from a known forward model describing certain sensing or imaging modality. Due to resource constraints, this image reconstruction task is often extremely ill-posed, which necessitates the adoption of expressive prior information to regularize the solution space. Score-based diffusion models, thanks to its impressive empirical success, have emerged as an appealing candidate of an expressive prior in image reconstruction. In order to accommodate diverse tasks at once, it is of great interest to develop efficient, consistent and robust algorithms that incorporate unconditional score functions of an image prior distribution in conjunction with flexible choices of forward models.This work develops an algorithmic framework for employing score-based diffusion models as an expressive data prior in nonlinear inverse problems with general forward models. Motivated by the plug-and-play framework in the imaging community, we introduce a diffusion plug-and-play method (DPnP) that alternatively calls two samplers, a proximal consistency sampler based solely on the likelihood function of the forward model, and a denoising diffusion sampler based solely on the score functions of the image prior. The key insight is that denoising under white Gaussian noise can be solved rigorously via both stochastic (i.e., DDPM-type) and deterministic (i.e., DDIM-type) samplers using the same set of score functions trained for generation. We establish both asymptotic and non-asymptotic performance guarantees of DPnP, and provide numerical experiments to illustrate its promise in solving both linear and nonlinear image reconstruction tasks. To the best of our knowledge, DPnP is the first provably-robust posterior sampling method for nonlinear inverse problems using unconditional diffusion priors.
Deep Learning · Robustness
Certified defenses against adversarial attacks offer formal guarantees on the robustness of a model, making them more reliable than empirical methods such as adversarial training, whose effectiveness is often later reduced by unseen attacks. Still, the limited certified robustness that is currently achievable has been a bottleneck for their practical adoption. Gowal et al. and Wang et al. have shown that generating additional training data using state-of-the-art diffusion models can considerably improve the robustness of adversarial training. In this work, we demonstrate that a similar approach can substantially improve deterministic certified defenses but also reveal notable differences in the scaling behavior between certified and empirical methods. In addition, we provide a list of recommendations to scale the robustness of certified training approaches. Our approach achieves state-of-the-art deterministic robustness certificates on CIFAR-10 for the $\ell_2$ ($\epsilon = 36/255$) and $\ell_{\infty}$ ($\epsilon = 8/255$) threat models, outperforming the previous results by $+3.95$ and $+1.39$ percentage points, respectively. Furthermore, we report similar improvements for CIFAR-100.
Learning Theory
We demonstrate a compactness result holding broadly across supervised learning with a general class of loss functions: Any hypothesis class $\mathcal{H}$ is learnable with transductive sample complexity $m$ precisely when all of its finite projections are learnable with sample complexity $m$. We prove that this exact form of compactness holds for realizable and agnostic learning with respect to all proper metric loss functions (e.g., any norm on $\mathbb{R}^d$) and any continuous loss on a compact space (e.g., cross-entropy, squared loss). For realizable learning with improper metric losses, we show that exact compactness of sample complexity can fail, and provide matching upper and lower bounds of a factor of 2 on the extent to which such sample complexities can differ. We conjecture that larger gaps are possible for the agnostic case. Furthermore, invoking the equivalence between sample complexities in the PAC and transductive models (up to lower order factors, in the realizable case) permits us to directly port our results to the PAC model, revealing an almost-exact form of compactness holding broadly in PAC learning.
Fairness
In the basic recommendation paradigm, the most (predicted) relevant item is recommended to each user. This may result in some items receiving lower exposure than they "should"; to counter this, several algorithmic approaches have been developed to ensure *item fairness*. These approaches necessarily degrade recommendations for some users to improve outcomes for items, leading to *user fairness* concerns. In turn, a recent line of work has focused on developing algorithms for multi-sided fairness, to jointly optimize user fairness, item fairness, and overall recommendation quality. This induces the question: *what is the tradeoff between these objectives, and what are the characteristics of (multi-objective) optimal solutions?* Theoretically, we develop a model of recommendations with user and item fairness objectives and characterize the solutions of fairness-constrained optimization. We identify two phenomena: (a) when user preferences are diverse, there is "free" item and user fairness; and (b) users whose preferences are misestimated can be *especially* disadvantaged by item fairness constraints. Empirically, we prototype a recommendation system for preprints on arXiv and implement our framework, measuring the phenomena in practice and showing how these phenomena inform the *design* of markets with recommendation systems-intermediated matching.
Deep Learning · Robustness
Learning generalized models from biased data is an important undertaking toward fairness in deep learning. To address this issue, recent studies attempt to identify and leverage bias-conflicting samples free from spurious correlations without prior knowledge of bias or an unbiased set. However, spurious correlation remains an ongoing challenge, primarily due to the difficulty in correctly detecting these samples. In this paper, inspired by the similarities between mislabeled samples and bias-conflicting samples, we approach this challenge from a novel perspective of mislabeled sample detection. Specifically, we delve into Influence Function, one of the standard methods for mislabeled sample detection, for identifying bias-conflicting samples and propose a simple yet effective remedy for biased models by leveraging them. Through comprehensive analysis and experiments on diverse datasets, we demonstrate that our new perspective can boost the precision of detection and rectify biased models effectively. Furthermore, our approach is complementary to existing methods, showing performance improvement even when applied to models that have already undergone recent debiasing techniques.