ICML 2023 论文列表

A prominent paradigm for graph neural networks is based on the message-passing framework. In this framework, information communication is realized only between neighboring nodes. The challenge of approaches that use this paradigm is to ensure efficient and accurate long-distance communication between nodes, as deep convolutional networks are prone to over smoothing. In this paper, we present a novel method based on time derivative graph diffusion (TIDE) to overcome these structural limitations of the message-passing framework. Our approach allows for optimizing the spatial extent of diffusion across various tasks and network channels, thus enabling medium and long-distance communication efficiently. Furthermore, we show that our architecture design also enables local message-passing and thus inherits from the capabilities of local message-passing approaches. We show that on both widely used graph benchmarks and synthetic mesh and graph datasets, the proposed framework outperforms state-of-the-art methods by a significant margin.

We develop a transformer-based sequence-to-sequence model that recovers scalar ordinary differential equations (ODEs) in symbolic form from irregularly sampled and noisy observations of a single solution trajectory. We demonstrate in extensive empirical evaluations that our model performs better or on par with existing methods in terms of accurate recovery across various settings. Moreover, our method is efficiently scalable: after one-time pretraining on a large set of ODEs, we can infer the governing law of a new observed solution in a few forward passes of the model.

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.

We consider a non-stationary Bandits with Knapsack problem. The outcome distribution at each time is scaled by a non-stationary quantity that signifies changing demand volumes. Instead of studying settings with limited non-stationarity, we investigate how online predictions on the total demand volume $Q$ allows us to improve our performance guarantees. We show that, without any prediction, any online algorithm incurs a linear-in-$T$ regret. In contrast, with online predictions on $Q$, we propose an online algorithm that judiciously incorporates the predictions, and achieve regret bounds that depends on the accuracy of the predictions. These bounds are shown to be tight in settings when prediction accuracy improves across time. Our theoretical results are corroborated by our numerical findings.

Interpretable time series prediction is crucial for safety-critical areas such as healthcare and autonomous driving. Most existing methods focus on interpreting predictions by assigning important scores to segments of time series. In this paper, we take a different and more challenging route and aim at developing a self-interpretable model, dubbed Counterfactual Time Series (CounTS), which generates counterfactual and actionable explanations for time series predictions. Specifically, we formalize the problem of time series counterfactual explanations, establish associated evaluation protocols, and propose a variational Bayesian deep learning model equipped with counterfactual inference capability of time series abduction, action, and prediction. Compared with state-of-the-art baselines, our self-interpretable model can generate better counterfactual explanations while maintaining comparable prediction accuracy.

The Schrödinger bridge problem (SBP) is gaining increasing attention in generative modeling and showing promising potential even in comparison with the score-based generative models (SGMs). SBP can be interpreted as an entropy-regularized optimal transport problem, which conducts projections onto every other marginal alternatingly. However, in practice, only approximated projections are accessible and their convergence is not well understood. To fill this gap, we present a first convergence analysis of the Schrödinger bridge algorithm based on approximated projections. As for its practical applications, we apply SBP to probabilistic time series imputation by generating missing values conditioned on observed data. We show that optimizing the transport cost improves the performance and the proposed algorithm achieves the state-of-the-art result in healthcare and environmental data while exhibiting the advantage of exploring both temporal and feature patterns in probabilistic time series imputation.

Learning accurate predictive models of real-world dynamic phenomena (e.g., climate, biological) remains a challenging task. One key issue is that the data generated by both natural and artificial processes often comprise time series that are irregularly sampled and/or contain missing observations. In this work, we propose the Neural Continuous-Discrete State Space Model (NCDSSM) for continuous-time modeling of time series through discrete-time observations. NCDSSM employs auxiliary variables to disentangle recognition from dynamics, thus requiring amortized inference only for the auxiliary variables. Leveraging techniques from continuous-discrete filtering theory, we demonstrate how to perform accurate Bayesian inference for the dynamic states. We propose three flexible parameterizations of the latent dynamics and an efficient training objective that marginalizes the dynamic states during inference. Empirical results on multiple benchmark datasets across various domains show improved imputation and forecasting performance of NCDSSM over existing models.

Labels are typically sparse in real-world time series due to the high annotation cost. Recently, consistency regularization techniques have been used to generate artificial labels from unlabeled augmented instances. To fully exploit the sequential characteristic of time series in consistency regularization, we propose a novel method of data augmentation called *context-attached augmentation*, which adds preceding and succeeding instances to a target instance to form its augmented instance. Unlike the existing augmentation techniques that modify a target instance by directly perturbing its attributes, the context-attached augmentation generates instances augmented with varying contexts while maintaining the target instance. Based on our augmentation method, we propose a *context consistency regularization* framework, which first adds different contexts to a target instance sampled from a given time series and then shares unitary reliability-based cross-window labels across the augmented instances to maintain consistency. We demonstrate that the proposed framework outperforms the existing state-of-the-art consistency regularization frameworks through comprehensive experiments on real-world time-series datasets.

We develop a novel, general and computationally efficient framework, called Divide and Conquer Dynamic Programming (DCDP), for localizing change points in time series data with high-dimensional features. DCDP deploys a class of greedy algorithms that are applicable to a broad variety of high-dimensional statistical models and can enjoy almost linear computational complexity. We investigate the performance of DCDP in three commonly studied change point settings in high dimensions: the mean model, the Gaussian graphical model, and the linear regression model. In all three cases, we derive non-asymptotic bounds for the accuracy of the DCDP change point estimators. We demonstrate that the DCDP procedures consistently estimate the change points with sharp, and in some cases, optimal rates while incurring significantly smaller computational costs than the best available algorithms. Our findings are supported by extensive numerical experiments on both synthetic and real data.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

Given a reference set R of n points and a query set Q of m points in a metric space, this paper studies an important problem of finding k-nearest neighbors of every point q of Q in the set R in a near-linear time. In the paper at ICML 2006, Beygelzimer, Kakade, and Langford introduced a cover tree and attempted to prove that this tree can be built in O(n log n) time while the nearest neighbor search can be done O(n log m) time with a hidden dimensionality factor. In 2015, section 5.3 of Curtin's PhD pointed out that the proof of the latter claim can have a serious gap in time complexity estimation. A paper at TopoInVis 2022 reported explicit counterexamples for a key step in the proofs of both claims. The past obstacles will be overcome by a simpler compressed cover tree on the reference set R. The first new algorithm constructs a compressed cover tree in O(n log n) time. The second new algorithm finds all k-nearest neighbors of all points from Q using a compressed cover tree in time O(m(k+log n)log k) with a hidden dimensionality factor depending on point distributions of the sets R,Q but not on their sizes.

Multivariate time series data for real-world applications typically contain a significant amount of missing values. The dominant approach for classification with such missing values is to impute them heuristically with specific values (zero, mean, values of adjacent time-steps) or learnable parameters. However, these simple strategies do not take the data generative process into account, and more importantly, do not effectively capture the uncertainty in prediction due to the multiple possibilities for the missing values. In this paper, we propose a novel probabilistic framework for classification with multivariate time series data with missing values. Our model consists of two parts; a deep generative model for missing value imputation and a classifier. Extending the existing deep generative models to better capture structures of time-series data, our deep generative model part is trained to impute the missing values in multiple plausible ways, effectively modeling the uncertainty of the imputation. The classifier part takes the time series data along with the imputed missing values and classifies signals, and is trained to capture the predictive uncertainty due to the multiple possibilities of imputations. Importantly, we show that naïvely combining the generative model and the classifier could result in trivial solutions where the generative model does not produce meaningful imputations. To resolve this, we present a novel regularization technique that can promote the model to produce useful imputation values that help classification. Through extensive experiments on real-world time series data with missing values, we demonstrate the effectiveness of our method.

In time-series analysis, nonlinear temporal misalignment is a major problem that forestalls even simple averaging. An effective learning-based solution for this problem is the Diffeomorphic Temporal Alignment Net (DTAN), that, by relying on a diffeomorphic temporal transformer net and the amortization of the joint-alignment task, eliminates drawbacks of traditional alignment methods. Unfortunately, existing DTAN formulations crucially depend on a regularization term whose optimal hyperparameters are dataset-specific and usually searched via a large number of experiments. Here we propose a regularization-free DTAN that obviates the need to perform such an expensive, and often impractical, search. Concretely, we propose a new well-behaved loss that we call the Inverse Consistency Averaging Error (ICAE), as well as a related new triplet loss. Extensive experiments on 128 UCR datasets show that the proposed method outperforms contemporary methods despite not using a regularization. Moreover, ICAE also gives rise to the first DTAN that supports variable-length signals. Our code is available at https://github.com/BGU-CS-VIL/RF-DTAN.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

Continuous monitoring with an ever-increasing number of sensors has become ubiquitous across many application domains. However, acquired time series are typically high-dimensional and difficult to interpret. Expressive deep learning (DL) models have gained popularity for dimensionality reduction, but the resulting latent space often remains difficult to interpret. In this work we propose SOM-CPC, a model that visualizes data in an organized 2D manifold, while preserving higher-dimensional information. We address a largely unexplored and challenging set of scenarios comprising high-rate time series, and show on both synthetic and real-life data (physiological data and audio recordings) that SOM-CPC outperforms strong baselines like DL-based feature extraction, followed by conventional dimensionality reduction techniques, and models that jointly optimize a DL model and a Self-Organizing Map (SOM). SOM-CPC has great potential to acquire a better understanding of latent patterns in high-rate data streams.

A fundamental problem in data management is to find the elements in an array that match a query. Recently, learned indexes are being extensively used to solve this problem, where they learn a model to predict the location of the items in the array. They are empirically shown to outperform non-learned methods (e.g., B-trees or binary search that answer queries in $O(\log n)$ time) by orders of magnitude. However, success of learned indexes has not been theoretically justified. Only existing attempt shows the same query time of $O(\log n)$, but with a constant factor improvement in space complexity over non-learned methods, under some assumptions on data distribution. In this paper, we significantly strengthen this result, showing that under mild assumptions on data distribution, and the same space complexity as non-learned methods, learned indexes can answer queries in $O(\log\log n)$ expected query time. We also show that allowing for slightly larger but still near-linear space overhead, a learned index can achieve $O(1)$ expected query time. Our results theoretically prove learned indexes are orders of magnitude faster than non-learned methods, theoretically grounding their empirical success.

Unsupervised anomaly detection (UAD) of multivariate time series (MTS) aims to learn robust representations of normal multivariate temporal patterns. Existing UAD methods try to learn a fixed set of mappings for each MTS, entailing expensive computation and limited model adaptation. To address this pivotal issue, we propose a prototype-oriented UAD (PUAD) method under a probabilistic framework. Specifically, instead of learning the mappings for each MTS, the proposed PUAD views multiple MTSs as the distribution over a group of prototypes, which are extracted to represent a diverse set of normal patterns. To learn and regulate the prototypes, PUAD introduces a reconstruction-based unsupervised anomaly detection approach, which incorporates a prototype-oriented optimal transport method into a Transformer-powered probabilistic dynamical generative framework. Leveraging meta-learned transferable prototypes, PUAD can achieve high model adaptation capacity for new MTSs. Experiments on five public MTS datasets all verify the effectiveness of the proposed UAD method.

Maximizing a monotone submodular function under cardinality constraint $k$ is a core problem in machine learning and database with many basic applications, including video and data summarization, recommendation systems, feature extraction, exemplar clustering, and coverage problems. We study this classic problem in the fully dynamic model where a stream of insertions and deletions of elements of an underlying ground set is given and the goal is to maintain an approximate solution using a fast update time. A recent paper at NeurIPS'20 by Lattanzi, Mitrovic, Norouzi-Fard, Tarnawski, Zadimoghaddam claims to obtain a dynamic algorithm for this problem with a $(\frac{1}{2} -\epsilon)$ approximation ratio and a query complexity bounded by $\mathrm{poly}(\log(n),\log(k),\epsilon^{-1})$. However, as we explain in this paper, the analysis has some important gaps. Having a dynamic algorithm for the problem with polylogarithmic update time is even more important in light of a recent result by Chen and Peng at STOC'22 who show a matching lower bound for the problem -- any randomized algorithm with a $\frac{1}{2}+\epsilon$ approximation ratio must have an amortized query complexity that is polynomial in $n$. In this paper, we develop a simpler algorithm for the problem that maintains a $(\frac{1}{2}-\epsilon)$-approximate solution for submodular maximization under cardinality constraint $k$ using a polylogarithmic amortized update time.

Many recent machine learning tasks focus to develop models that can generalize to unseen distributions. Domain generalization (DG) has become one of the key topics in various fields. Several literatures show that DG can be arbitrarily hard without exploiting target domain information. To address this issue, test-time adaptive (TTA) methods are proposed. Existing TTA methods require offline target data or extra sophisticated optimization procedures during the inference stage. In this work, we adopt **N**on-**P**arametric **C**lassifier to perform the test-time **Ada**ptation (**AdaNPC**). In particular, we construct a memory that contains the feature and label pairs from training domains. During inference, given a test instance, AdaNPC first recalls $k$ closed samples from the memory to vote for the prediction, and then the test feature and predicted label are added to the memory. In this way, the sample distribution in the memory can be gradually changed from the training distribution towards the test distribution with very little extra computation cost. We theoretically justify the rationality behind the proposed method. Besides, we test our model on extensive numerical experiments. AdaNPC significantly outperforms competitive baselines on various DG benchmarks. In particular, when the adaptation target is a series of domains, the adaptation accuracy of AdaNPC is $50$% higher than advanced TTA methods.