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 Statistical Learning


Stability and Deviation Optimal Risk Bounds with Convergence Rate O(1/n)

Neural Information Processing Systems

The sharpest known high probability generalization bounds for uniformly stable algorithms (Feldman, Vondrรกk, NeurIPS 2018, COLT, 2019), (Bousquet, Klochkov, Zhivotovskiy, COLT, 2020) contain a generally inevitable sampling error term of order ฮ˜(1/ n). When applied to excess risk bounds, this leads to suboptimal results in several standard stochastic convex optimization problems. We show that if the so-called Bernstein condition is satisfied, the term ฮ˜(1/ n) can be avoided, and high probability excess risk bounds of order up to O(1/n) are possible via uniform stability. Using this result, we show a high probability excess risk bound with the rate O(log n/n) for strongly convex and Lipschitz losses valid for any empirical risk minimization method.


AFast Scale-Invariant Algorithm for Non-negative Least Squares with Non-negative Data

Neural Information Processing Systems

Nonnegative (linear) least square problems are a fundamental class of problems that is well-studied in statistical learning and for which solvers have been implemented in many of the standard programming languages used within the machine learning community. The existing off-the-shelf solvers view the non-negativity constraint in these problems as an obstacle and, compared to unconstrained least squares, perform additional effort to address it. However, in many of the typical applications, the data itself is nonnegative as well, and we show that the nonnegativity in this case makes the problem easier. In particular, while the worst-case dimension-independent oracle complexity for unconstrained least squares problems necessarily scales with one of the data matrix constants (typically the spectral norm) and these problems are solved to additive error, we show that nonnegative least squares problems with nonnegative data are solvable to multiplicative error and with complexity independent of any matrix constants. The algorithm we introduce is accelerated and based on a primal-dual perspective. We further show how to provably obtain linear convergence using adaptive restart coupled with our method and demonstrate its effectiveness on large-scale data via numerical experiments.





Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts

Neural Information Processing Systems

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time. However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.


SPD domain-specific batch normalization to crack interpretable unsupervised domain adaptation in EEG

Neural Information Processing Systems

Electroencephalography (EEG) provides access to neuronal dynamics noninvasively with millisecond resolution, rendering it a viable method in neuroscience and healthcare. However, its utility is limited as current EEG technology does not generalize well across domains (i.e., sessions and subjects) without expensive supervised re-calibration. Contemporary methods cast this transfer learning (TL) problem as a multi-source/-target unsupervised domain adaptation (UDA) problem and address it with deep learning or shallow, Riemannian geometry aware alignment methods. Both directions have, so far, failed to consistently close the performance gap to state-of-the-art domain-specific methods based on tangent space mapping (TSM) on the symmetric, positive definite (SPD) manifold. Here, we propose a machine learning framework that enables, for the first time, learning domain-invariant TSM models in an end-to-end fashion. To achieve this, we propose a new building block for geometric deep learning, which we denote SPD domain-specific momentum batch normalization (SPDDSMBN). ASPDDSMBN layer can transform domain-specific SPD inputs into domain-invariant SPD outputs, and can be readily applied to multi-source/-target and online UDA scenarios. In extensive experiments with 6 diverse EEG brain-computer interface (BCI) datasets, we obtain state-of-the-art performance in inter-session and -subject TL with a simple, intrinsically interpretable network architecture, which we denote TSMNet.


Provable Guarantees for Self-Supervised Deep Learning with Spectral Contrastive Loss

Neural Information Processing Systems

Recent works in self-supervised learning have advanced the state-of-the-art by relying on the contrastive learning paradigm, which learns representations by pushing positive pairs, or similar examples from the same class, closer together while keeping negative pairs far apart. Despite the empirical successes, theoretical foundations are limited - prior analyses assume conditional independence of the positive pairs given the same class label, but recent empirical applications use heavily correlated positive pairs (i.e., data augmentations of the same image).