ICML 2023 论文列表

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

Bayesian optimization is a popular method for sample efficient multi-objective optimization. However, existing Bayesian optimization techniques fail to effectively exploit common and often-neglected problem structure such as decoupled evaluations, where objectives can be queried independently from one another and each may consume different resources, or multi-fidelity evaluations, where lower fidelity-proxies of the objectives can be evaluated at lower cost. In this work, we propose a general one-step lookahead acquisition function based on the Knowledge Gradient that addresses the complex question of what to evaluate when and at which design points in a principled Bayesian decision-theoretic fashion. Hence, our approach naturally addresses decoupled, multi-fidelity, and standard multi-objective optimization settings in a unified Bayesian decision making framework. By construction, our method is the one-step Bayes-optimal policy for hypervolume maximization. Empirically, we demonstrate that our method improves sample efficiency in a wide variety of synthetic and real-world problems. Furthermore, we show that our method is general-purpose and yields competitive performance in standard (potentially noisy) multi-objective optimization.

Potential harms of large language models can be mitigated by watermarking model output, i.e., embedding signals into generated text that are invisible to humans but algorithmically detectable from a short span of tokens. We propose a watermarking framework for proprietary language models. The watermark can be embedded with negligible impact on text quality, and can be detected using an efficient open-source algorithm without access to the language model API or parameters. The watermark works by selecting a randomized set of "green" tokens before a word is generated, and then softly promoting use of green tokens during sampling. We propose a statistical test for detecting the watermark with interpretable p-values, and derive an information-theoretic framework for analyzing the sensitivity of the watermark. We test the watermark using a multi-billion parameter model from the Open Pretrained Transformer (OPT) family, and discuss robustness and security.

We give a quantum algorithm for computing an $\epsilon$-approximate Nash equilibrium of a zero-sum game in a $m \times n$ payoff matrix with bounded entries. Given a standard quantum oracle for accessing the payoff matrix our algorithm runs in time $\widetilde{O}(\sqrt{m + n}\cdot \epsilon^{-2.5} + \epsilon^{-3})$ and outputs a classical representation of the $\epsilon$-approximate Nash equilibrium. This improves upon the best prior quantum runtime of $\widetilde{O}(\sqrt{m + n} \cdot \epsilon^{-3})$ obtained by [van Apeldoorn, Gilyen '19] and the classical $\widetilde{O}((m + n) \cdot \epsilon^{-2})$ runtime due to [Grigoradis, Khachiyan '95] whenever $\epsilon = \Omega((m +n)^{-1})$. We obtain this result by designing new quantum data structures for efficiently sampling from a slowly-changing Gibbs distribution.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed $K$-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including $K$-means, SDP and EM algorithms.

Unlearning algorithms aim to remove deleted data's influence from trained models at a cost lower than full retraining. However, prior guarantees of unlearning in literature are flawed and don't protect the privacy of deleted records. We show that when people delete their data as a function of published models, records in a database become interdependent. So, even retraining a fresh model after deletion of a record doesn't ensure its privacy. Secondly, unlearning algorithms that cache partial computations to speed up the processing can leak deleted information over a series of releases, violating the privacy of deleted records in the long run. To address these, we propose a sound deletion guarantee and show that ensuring the privacy of existing records is necessary for the privacy of deleted records. Under this notion, we propose an optimal, computationally efficient, and sound machine unlearning algorithm based on noisy gradient descent.

As the issue of robustness in AI systems becomes vital, statistical learning techniques that are reliable even in presence of partly contaminated data have to be developed. Preference data, in the form of (complete) rankings in the simplest situations, are no exception and the demand for appropriate concepts and tools is all the more pressing given that technologies fed by or producing this type of data ($\textit{e.g.}$ search engines, recommending systems) are now massively deployed. However, the lack of vector space structure for the set of rankings ($\textit{i.e.}$ the symmetric group $\mathfrak{S}_n$) and the complex nature of statistics considered in ranking data analysis make the formulation of robustness objectives in this domain challenging. In this paper, we introduce notions of robustness, together with dedicated statistical methods, for $\textit{Consensus Ranking}$ the flagship problem in ranking data analysis, aiming at summarizing a probability distribution on $\mathfrak{S}_n$ by a $\textit{median}$ ranking. Precisely, we propose specific extensions of the popular concept of *breakdown point*, tailored to consensus ranking, and address the related computational issues. Beyond the theoretical contributions, the relevance of the approach proposed is supported by an experimental study.

Recent ODE/SDE-based generative models, such as diffusion models, rectified flows, and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.

When launching a new product, historical sales data is often not available, leaving price as a crucial experimental instrument for sellers to gauge market response. When designing pricing experiments, there are three fundamental objectives: estimating the causal effect of price (i.e., price elasticity), maximizing the expected revenue through the experiment, and controlling the tail risk suffering from a very huge loss. In this paper, we reveal the relationship among such three objectives. Under a linear structural model, we investigate the trade-offs between causal inference and expected revenue maximization, as well as between expected revenue maximization and tail risk control. Furthermore, we propose an optimal pricing experimental design, which can flexibly adapt to different desired levels of trade-offs. Through the optimal design, we also explore the relationship between causal inference and tail risk control.

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a surprisingly underexplored topic, despite their applicability to ubiquitous domains, including source code and logic circuits. In this work, we propose two direction- and structure-aware positional encodings for directed graphs: (1) the eigenvectors of the Magnetic Laplacian — a direction-aware generalization of the combinatorial Laplacian; (2) directional random walk encodings. Empirically, we show that the extra directionality information is useful in various downstream tasks, including correctness testing of sorting networks and source code understanding. Together with a data-flow-centric graph construction, our model outperforms the prior state of the art on the Open Graph Benchmark Code2 relatively by 14.7%.

We study a synthetic corpus based approach for language models (LMs) to acquire logical deductive reasoning ability. The previous studies generated deduction examples using specific sets of deduction rules. However, these rules were limited or otherwise arbitrary. This can limit the generalizability of acquired deductive reasoning ability. We rethink this and adopt a well-grounded set of deduction rules based on formal logic theory, which can derive any other deduction rules when combined in a multistep way. We empirically verify that LMs trained on the proposed corpora, which we name $\textbf{FLD}$ ($\textbf{F}$ormal $\textbf{L}$ogic $\textbf{D}$eduction), acquire more generalizable deductive reasoning ability. Furthermore, we identify the aspects of deductive reasoning ability on which deduction corpora can enhance LMs and those on which they cannot. Finally, on the basis of these results, we discuss the future directions for applying deduction corpora or other approaches for each aspect. We release the code, data, and models.

Recent approaches to representation learning have successfully demonstrated the benefits in hyperbolic space, driven by an excellent ability to make hierarchical relationships. In this work, we demonstrate that the properties of hyperbolic geometry serve as a valuable alternative to learning hierarchical affinity for spatial propagation tasks. We propose a Hyperbolic Affinity learning Module (HAM) to learn spatial affinity by considering geodesic distance on the hyperbolic space. By simply incorporating our HAM into conventional spatial propagation tasks, we validate its effectiveness, capturing the pixel hierarchy of affinity maps in hyperbolic space. The proposed methodology can lead to performance improvements in explicit propagation processes such as depth completion and semantic segmentation.

We show that running gradient descent with variable learning rate guarantees loss $f(x) ≤ 1.1 \cdot f(x^*)+\epsilon$ for the logistic regression objective, where the error $\epsilon$ decays exponentially with the number of iterations and polynomially with the magnitude of the entries of an arbitrary fixed solution $x$. This is in contrast to the common intuition that the absence of strong convexity precludes linear convergence of first-order methods, and highlights the importance of variable learning rates for gradient descent. We also apply our ideas to sparse logistic regression, where they lead to an exponential improvement of the sparsity-error tradeoff.

Many practical problems involve solving similar tasks. In recommender systems, the tasks can be users with similar preferences; in search engines, the tasks can be items with similar affinities. To learn statistically efficiently, the tasks can be organized in a hierarchy, where the task affinity is captured using an unknown latent parameter. We study the problem of off-policy learning for similar tasks from logged bandit feedback. To solve the problem, we propose a hierarchical off-policy optimization algorithm HierOPO. The key idea is to estimate the task parameters using the hierarchy and then act pessimistically with respect to them. To analyze the algorithm, we develop novel Bayesian error bounds. Our bounds are the first in off-policy learning that improve with a more informative prior and capture statistical gains due to hierarchical models. Therefore, they are of a general interest. HierOPO also performs well in practice. Our experiments demonstrate the benefits of using the hierarchy over solving each task independently.

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains in interpreting their decisions. We help bridge this gap by providing explanations for OOD detectors based on learned high-level concepts. We first propose two new metrics for assessing the effectiveness of a particular set of concepts for explaining OOD detectors: 1) detection completeness, which quantifies the sufficiency of concepts for explaining an OOD-detector's decisions, and 2) concept separability, which captures the distributional separation between in-distribution and OOD data in the concept space. Based on these metrics, we propose an unsupervised framework for learning a set of concepts that satisfy the desired properties of high detection completeness and concept separability, and demonstrate its effectiveness in providing concept-based explanations for diverse off-the-shelf OOD detectors. We also show how to identify prominent concepts contributing to the detection results, and provide further reasoning about their decisions.

Sign Stochastic Gradient Descent (signSGD) is a communication-efficient stochastic algorithm that only uses the sign information of the stochastic gradient to update the model's weights. However, the existing convergence theory of signSGD either requires increasing batch sizes during training or assumes the gradient noise is symmetric and unimodal. Error feedback has been used to guarantee the convergence of signSGD under weaker assumptions at the cost of communication overhead. This paper revisits the convergence of signSGD and proves that momentum can remedy signSGD under weaker assumptions than previous techniques; in particular, our convergence theory does not require the assumption of bounded stochastic gradient or increased batch size. Our results resonate with echoes of previous empirical results where, unlike signSGD, signSGD with momentum maintains good performance even with small batch sizes. Another new result is that signSGD with momentum can achieve an improved convergence rate when the objective function is second-order smooth. We further extend our theory to signSGD with major vote and federated learning.

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have recently been proposed, in large part building upon precursors from the more traditional graph neural network (GNN) literature. Somewhat differently, in this paper we begin by presenting an expressive family of parameterized, hypergraph-regularized energy functions. We then demonstrate how minimizers of these energies effectively serve as node embeddings that, when paired with a parameterized classifier, can be trained end-to-end via a supervised bilevel optimization process. Later, we draw parallels between the implicit architecture of the predictive models emerging from the proposed bilevel hypergraph optimization, and existing GNN architectures in common use. Empirically, we demonstrate state-of-the-art results on various hypergraph node classification benchmarks. Code is available at https://github.com/yxzwang/PhenomNN.

Despite remarkable successes, deep reinforcement learning algorithms remain sample inefficient: they require an enormous amount of trial and error to find good policies. Model-based algorithms promise sample efficiency by building an environment model that can be used for planning. Posterior Sampling for Reinforcement Learning is such a model-based algorithm that has attracted significant interest due to its performance in the tabular setting. This paper introduces Posterior Sampling for Deep Reinforcement Learning (PSDRL), the first truly scalable approximation of Posterior Sampling for Reinforcement Learning that retains its model-based essence. PSDRL combines efficient uncertainty quantification over latent state space models with a specially tailored incremental planning algorithm based on value-function approximation. Extensive experiments on the Atari benchmark show that PSDRL significantly outperforms previous state-of-the-art attempts at scaling up posterior sampling while being competitive with a state-of-the-art (model-based) reinforcement learning method, both in sample efficiency and computational efficiency.

Generalization in Reinforcement Learning (RL) aims to train an agent during training that generalizes to the target environment. In this work, we first point out that RL generalization is fundamentally different from the generalization in supervised learning, and fine-tuning on the target environment is necessary for good test performance. Therefore, we seek to answer the following question: how much can we expect pre-training over training environments to be helpful for efficient and effective fine-tuning? On one hand, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, we show that pre-training can be indeed helpful in the non-asymptotic regime by designing a policy collection-elimination (PCE) algorithm and proving a distribution-dependent regret bound that is independent of the state-action space. We hope our theoretical results can provide insight towards understanding pre-training and generalization in RL.