NeurIPS 2023 Papers

Contextual optimization, also known as predict-then-optimize or prescriptive analytics, considers an optimization problem with the presence of covariates (context or side information). The goal is to learn a prediction model (from the training data) that predicts the objective function from the covariates, and then in the test phase, solve the optimization problem with the covariates but without the observation of the objective function. In this paper, we consider a risk-sensitive version of the problem and propose a generic algorithm design paradigm called predict-then-calibrate. The idea is to first develop a prediction model without concern for the downstream risk profile or robustness guarantee, and then utilize calibration (or recalibration) methods to quantify the uncertainty of the prediction. While the existing methods suffer from either a restricted choice of the prediction model or strong assumptions on the underlying data, we show the disentangling of the prediction model and the calibration/uncertainty quantification has several advantages. First, it imposes no restriction on the prediction model and thus fully unleashes the potential of off-the-shelf machine learning methods. Second, the derivation of the risk and robustness guarantee can be made independent of the choice of the prediction model through a data-splitting idea. Third, our paradigm of predict-then-calibrate applies to both (risk-sensitive) robust and (risk-neutral) distributionally robust optimization (DRO) formulations. Theoretically, it gives new generalization bounds for the contextual LP problem and sheds light on the existing results of DRO for contextual LP. Numerical experiments further reinforce the advantage of the predict-then-calibrate paradigm in that an improvement on either the prediction model or the calibration model will lead to a better final performance.

Stein thinning is a promising algorithm proposed by (Riabiz et al., 2022) for post-processing outputs of Markov chain Monte Carlo (MCMC). The main principle is to greedily minimize the kernelized Stein discrepancy (KSD), which only requires the gradient of the log-target distribution, and is thus well-suited for Bayesian inference. The main advantages of Stein thinning are the automatic remove of the burn-in period, the correction of the bias introduced by recent MCMC algorithms, and the asymptotic properties of convergence towards the target distribution. Nevertheless, Stein thinning suffers from several empirical pathologies, which may result in poor approximations, as observed in the literature. In this article, we conduct a theoretical analysis of these pathologies, to clearly identify the mechanisms at stake, and suggest improved strategies. Then, we introduce the regularized Stein thinning algorithm to alleviate the identified pathologies. Finally, theoretical guarantees and extensive experiments show the high efficiency of the proposed algorithm. An implementation of regularized Stein thinning as the kernax library in python and JAX is available at https://gitlab.com/drti/kernax.

Classic network clustering tackles the problem of identifying sets of nodes (communities) that have similar connection patterns. However, in many scenarios nodes also have attributes that are correlated and can also be used to identify node clusters. Thus, network information (edges) and node information (attributes) can be jointly leveraged to design high-performance clustering algorithms. Under a general model for the network and node attributes, this work establishes an information-theoretic criteria for the exact recovery of community labels and characterizes a phase transition determined by the Chernoff-Hellinger divergence of the model. The criteria shows how network and attribute information can be exchanged in order to have exact recovery (e.g., more reliable network information requires less reliable attribute information). This work also presents an iterative clustering algorithm that maximizes the joint likelihood, assuming that the probability distribution of network interactions and node attributes belong to exponential families. This covers a broad range of possible interactions (e.g., edges with weights) and attributes (e.g., non-Gaussian models) while also exploring the connection between exponential families and Bregman divergences. Extensive numerical experiments using synthetic and real data indicate that the proposed algorithm outperforms algorithms that leverage only network or only attribute information as well as recently proposed algorithms that perform clustering using both sources of information. The contributions of this work provide insights into the fundamental limits and practical techniques for inferring community labels on node-attributed networks.

Recent hybrid models combining Linear State Space Models (SSMs) with self-attention mechanisms have demonstrated impressive results across a range of sequence modeling tasks. However, current approaches apply attention modules statically and uniformly to all elements in the input sequences, leading to sub-optimal quality-efficiency trade-offs. To address this limitation, we introduce Sparse Modular Activation (SMA), a general mechanism enabling neural networks to sparsely and dynamically activate sub-modules for sequence elements in a differentiable manner. Through allowing each element to skip non-activated sub-modules, SMA reduces computation and memory consumption of neural networks at both training and inference stages. To validate the effectiveness of SMA on sequence modeling, we design a novel neural architecture, SeqBoat, which employs SMA to sparsely activate a Gated Attention Unit (GAU) based on the state representations learned from an SSM. By constraining the GAU to only conduct local attention on the activated inputs, SeqBoat can achieve linear inference complexity with theoretically infinite attention span, and provide substantially better quality-efficiency trade-off than the chunking-based models. With experiments on a wide range of tasks, including long sequence modeling, speech classification and language modeling, SeqBoat brings new state-of-the-art results among hybrid models with linear complexity, and reveals the amount of attention needed for each task through the learned sparse activation patterns. Our code is publicly available at https://github.com/renll/SeqBoat.

Reinforcement learning (RL) has shown great promise for developing agents for dialogue management (DM) that are non-myopic, conduct rich conversations, and maximize overall user satisfaction. Despite the advancements in RL and language models (LMs), employing RL to drive conversational chatbots still poses significant challenges. A primary issue stems from RL’s dependency on online exploration for effective learning, a process that can be costly. Moreover, engaging in online interactions with humans during the training phase can raise safety concerns, as the LM can potentially generate unwanted outputs. This issue is exacerbated by the combinatorial action spaces facing these algorithms, as most LM agents generate responses at the word level. We develop various RL algorithms, specialized in dialogue planning, that leverage recent Mixture-of-Expert Language Models (MoE-LMs)---models that capture diverse semantics, generate utterances reflecting different intents, and are amenable for multi-turn DM. By exploiting the MoE-LM structure, our methods significantly reduce the size of the action space and improve the efficacy of RL-based DM. We evaluate our methods in open-domain dialogue to demonstrate their effectiveness with respect to the diversity of intent in generated utterances and overall DM performance.

In computational social choice, the distortion of a voting rule quantifies the degree to which the rule overcomes limited preference information to select a socially desirable outcome. This concept has been investigated extensively, but only through a worst-case lens. Instead, we study the expected distortion of voting rules with respect to an underlying distribution over voter utilities. Our main contribution is the design and analysis of a novel and intuitive rule, binomial voting, which provides strong distribution-independent guarantees for both expected distortion and expected welfare.

Bayesian persuasion studies the problem faced by an informed sender who strategically discloses information to influence the behavior of an uninformed receiver. Recently, a growing attention has been devoted to settings where the sender and the receiver interact sequentially, in which the receiver's decision-making problem is usually modeled as a Markov decision process (MDP). However, the literature focuses on computing optimal information-revelation policies (a.k.a. signaling schemes) under the restrictive assumption that the receiver acts myopically, selecting actions to maximize the one-step utility and disregarding future rewards. This is justified by the fact that, when the receiver is farsighted and thus considers future rewards, finding an optimal Markovian signaling scheme is NP-hard. In this paper, we show that Markovian signaling schemes do not constitute the "right" class of policies. Indeed, differently from most of the MDPs settings, we show that Markovian signaling schemes are not optimal, and general history-dependent signaling schemes should be considered. Moreover, we also show that history-dependent signaling schemes circumvent the negative complexity results affecting Markovian signaling schemes. Formally, we design an algorithm that computes an optimal and $\epsilon$-persuasive history-dependent signaling scheme in time polynomial in ${1}/{\epsilon}$ and in the instance size. The crucial challenge is that general history-dependent signaling schemes cannot be represented in polynomial space. Nevertheless, we introduce a convenient subclass of history-dependent signaling schemes, called promise-form, which are as powerful as general history-dependent ones and efficiently representable. Intuitively, promise-form signaling schemes compactly encode histories in the form of honest promises on future receiver's rewards.

Natural language processing and 2D vision models have attained remarkable proficiency on many tasks primarily by escalating the scale of training data. However, 3D vision tasks have not seen the same progress, in part due to the challenges of acquiring high-quality 3D data. In this work, we present Objaverse-XL, a dataset of over 10 million 3D objects. Our compilation comprises deduplicated 3D objects from a diverse set of sources, including manually designed objects, photogrammetry scans of landmarks and everyday items, and professional scans of historic and antique artifacts. Representing the largest scale and diversity in the realm of 3D datasets, Objaverse-XL enables significant new possibilities for 3D vision. Our experiments demonstrate the vast improvements enabled with the scale provided by Objaverse-XL. We show that by training Zero123 on novel view synthesis, utilizing over 100 million multi-view rendered images, we achieve strong zero-shot generalization abilities. We hope that releasing Objaverse-XL will enable further innovations in the field of 3D vision at scale.

Depth estimation from monocular images is pivotal for real-world visual perception systems. While current learning-based depth estimation models train and test on meticulously curated data, they often overlook out-of-distribution (OoD) situations. Yet, in practical settings -- especially safety-critical ones like autonomous driving -- common corruptions can arise. Addressing this oversight, we introduce a comprehensive robustness test suite, RoboDepth, encompassing 18 corruptions spanning three categories: i) weather and lighting conditions; ii) sensor failures and movement; and iii) data processing anomalies. We subsequently benchmark 42 depth estimation models across indoor and outdoor scenes to assess their resilience to these corruptions. Our findings underscore that, in the absence of a dedicated robustness evaluation framework, many leading depth estimation models may be susceptible to typical corruptions. We delve into design considerations for crafting more robust depth estimation models, touching upon pre-training, augmentation, modality, model capacity, and learning paradigms. We anticipate our benchmark will establish a foundational platform for advancing robust OoD depth estimation.

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice (e^{10}-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.

Out-of-distribution (OOD) detection is important for deploying reliable machine learning models on real-world applications. Recent advances in outlier exposure have shown promising results on OOD detection via fine-tuning model with informatively sampled auxiliary outliers. However, previous methods assume that the collected outliers can be sufficiently large and representative to cover the boundary between ID and OOD data, which might be impractical and challenging. In this work, we propose a novel framework, namely, Diversified Outlier Exposure (DivOE), for effective OOD detection via informative extrapolation based on the given auxiliary outliers. Specifically, DivOE introduces a new learning objective, which diversifies the auxiliary distribution by explicitly synthesizing more informative outliers for extrapolation during training. It leverages a multi-step optimization method to generate novel outliers beyond the original ones, which is compatible with many variants of outlier exposure. Extensive experiments and analyses have been conducted to characterize and demonstrate the effectiveness of the proposed DivOE. The code is publicly available at: https://github.com/tmlr-group/DivOE.

We introduce general tools for designing efficient private estimation algorithms, in the high-dimensional settings, whose statistical guarantees almost match those of the best known non-private algorithms. To illustrate our techniques, we consider two problems: recovery of stochastic block models and learning mixtures of spherical Gaussians. For the former, we present the first efficient $(\epsilon, \delta)$-differentially private algorithm for both weak recovery and exact recovery. Previously known algorithms achieving comparable guarantees required quasi-polynomial time. For the latter, we design an $(\epsilon, \delta)$-differentially private algorithm that recovers the centers of the $k$-mixture when the minimum separation is at least $ O(k^{1/t}\sqrt{t})$. For all choices of $t$, this algorithm requires sample complexity $n\geq k^{O(1)}d^{O(t)}$ and time complexity $(nd)^{O(t)}$. Prior work required either an additional additive $\Omega(\sqrt{\log n})$ term in the minimum separation or an explicit upper bound on the Euclidean norm of the centers.

Cohen et al. (2021) empirically study the evolution of the largest eigenvalue of the loss Hessian, also known as sharpness, along the gradient descent (GD) trajectory and observe the Edge of Stability (EoS) phenomenon. The sharpness increases at the early phase of training (referred to as progressive sharpening), and eventually saturates close to the threshold of $2 / \text{(step size)}$. In this paper, we start by demonstrating through empirical studies that when the EoS phenomenon occurs, different GD trajectories (after a proper reparameterization) align on a specific bifurcation diagram independent of initialization. We then rigorously prove this trajectory alignment phenomenon for a two-layer fully-connected linear network and a single-neuron nonlinear network trained with a single data point. Our trajectory alignment analysis establishes both progressive sharpening and EoS phenomena, encompassing and extending recent findings in the literature.

We introduce ViCA-NeRF, the *first* view-consistency-aware method for 3D editing with text instructions. In addition to the implicit neural radiance field (NeRF) modeling, our key insight is to exploit two sources of regularization that *explicitly* propagate the editing information across different views, thus ensuring multi-view consistency. For *geometric regularization*, we leverage the depth information derived from NeRF to establish image correspondences between different views. For *learned regularization*, we align the latent codes in the 2D diffusion model between edited and unedited images, enabling us to edit key views and propagate the update throughout the entire scene. Incorporating these two strategies, our ViCA-NeRF operates in two stages. In the initial stage, we blend edits from different views to create a preliminary 3D edit. This is followed by a second stage of NeRF training, dedicated to further refining the scene's appearance. Experimental results demonstrate that ViCA-NeRF provides more flexible, efficient (3 times faster) editing with higher levels of consistency and details, compared with the state of the art. Our code is available at: https://github.com/Dongjiahua/VICA-NeRF

The Naïve Mean Field (NMF) approximation is widely employed in modern Machine Learning due to the huge computational gains it bestows on the statistician. Despite its popularity in practice, theoretical guarantees for high-dimensional problems are only available under strong structural assumptions (e.g. sparsity). Moreover, existing theory often does not explain empirical observations noted in the existing literature. In this paper, we take a step towards addressing these problems by deriving sharp asymptotic characterizations for the NMF approximation in high-dimensional linear regression. Our results apply to a wide class of natural priors and allow for model mismatch (i.e. the underlying statistical model can be different from the fitted model). We work under an iid Gaussian design and the proportional asymptotic regime, where the number of features and number of observations grow at a proportional rate. As a consequence of our asymptotic characterization, we establish two concrete corollaries: (a) we establish the inaccuracy of the NMF approximation for the log-normalizing constant in this regime, and (b) we provide theoretical results backing the empirical observation that the NMF approximation can be overconfident in terms of uncertainty quantification. Our results utilize recent advances in the theory of Gaussian comparison inequalities. To the best of our knowledge, this is the first application of these ideas to the analysis of Bayesian variational inference problems. Our theoretical results are corroborated by numerical experiments. Lastly, we believe our results can be generalized to non-Gaussian designs and provide empirical evidence to support it.

We study the multi-objective minimum weight base problem, an abstraction of classical NP-hard combinatorial problems such as the multi-objective minimum spanning tree problem. We prove some important properties of the convex hull of the non-dominated front, such as its approximation quality and an upper bound on the number of extreme points. Using these properties, we give the first run-time analysis of the MOEA/D algorithm for this problem, an evolutionary algorithm that effectively optimizes by decomposing the objectives into single-objective components. We show that the MOEA/D, given an appropriate decomposition setting, finds all extreme points within expected fixed-parameter polynomial time, in the oracle model. Experiments are conducted on random bi-objective minimum spanning tree instances, and the results agree with our theoretical findings. Furthermore, compared with a previously studied evolutionary algorithm for the problem GSEMO, MOEA/D finds all extreme points much faster across all instances.

Stochastic Gradient Descent (SGD) is arguably the most important single algorithm in modern machine learning. Although SGD with unbiased gradient estimators has been studied extensively over at least half a century, SGD variants relying on biased estimators are rare. Nevertheless, there has been an increased interest in this topic in recent years. However, existing literature on SGD with biased estimators lacks coherence since each new paper relies on a different set of assumptions, without any clear understanding of how they are connected, which may lead to confusion. We address this gap by establishing connections among the existing assumptions, and presenting a comprehensive map of the underlying relationships. Additionally, we introduce a new set of assumptions that is provably weaker than all previous assumptions, and use it to present a thorough analysis of BiasedSGD in both convex and non-convex settings, offering advantages over previous results. We also provide examples where biased estimators outperform their unbiased counterparts or where unbiased versions are simply not available. Finally, we demonstrate the effectiveness of our framework through experimental results that validate our theoretical findings.

Best Arm Identification (BAI) problems are progressively used for data-sensitive applications, such as designing adaptive clinical trials, tuning hyper-parameters, and conducting user studies to name a few. Motivated by the data privacy concerns invoked by these applications, we study the problem of BAI with fixed confidence under $\epsilon$-global Differential Privacy (DP). First, to quantify the cost of privacy, we derive a lower bound on the sample complexity of any $\delta$-correct BAI algorithm satisfying $\epsilon$-global DP. Our lower bound suggests the existence of two privacy regimes depending on the privacy budget $\epsilon$. In the high-privacy regime (small $\epsilon$), the hardness depends on a coupled effect of privacy and a novel information-theoretic quantity, called the Total Variation Characteristic Time. In the low-privacy regime (large $\epsilon$), the sample complexity lower bound reduces to the classical non-private lower bound. Second, we propose AdaP-TT, an $\epsilon$-global DP variant of the Top Two algorithm. AdaP-TT runs in *arm-dependent adaptive episodes* and adds *Laplace noise* to ensure a good privacy-utility trade-off. We derive an asymptotic upper bound on the sample complexity of AdaP-TT that matches with the lower bound up to multiplicative constants in the high-privacy regime. Finally, we provide an experimental analysis of AdaP-TT that validates our theoretical results.

In this work, we consider the problem of matrix sensing over graphs (MSoG). As a general case of matrix completion and matrix sensing problems, the MSoG problem has not been analyzed in the literature and the existing results cannot be directly applied to the MSoG problem. This work provides the first theoretical results on the optimization landscape of the MSoG problem. More specifically, we propose a new condition, named the $\Omega$-RIP condition, to characterize the optimization complexity of the problem. In addition, with an improved regularizer of the incoherence, we prove that the strict saddle property holds for the MSoG problem with high probability under the incoherence condition and the $\Omega$-RIP condition, which guarantees the polynomial-time global convergence of saddle-avoiding methods. Compared with state-of-the-art results, the bounds in this work are tight up to a constant. Besides the theoretical guarantees, we numerically illustrate the close relation between the $\Omega$-RIP condition and the optimization complexity.