Conditional independence (CI) testing is a fundamental and challenging task in modern statistics and machine learning. Many modern methods for CI testing rely on powerful supervised learning methods to learn regression functions or Bayes predictors as an intermediate step; we refer to this class of tests as regression-based tests. Although these methods are guaranteed to control Type-I error when the supervised learning methods accurately estimate the regression functions or Bayes predictors of interest, their behavior is less understood when they fail due to misspecified inductive biases; in other words, when the employed models are not flexible enough or when the training algorithm does not induce the desired predictors. Then, we study the performance of regression-based CI tests under misspecified inductive biases. Namely, we propose new approximations or upper bounds for the testing errors of three regression-based tests that depend on misspecification errors.

Understanding the learned representation and underlying mechanisms of Self-Supervised Learning (SSL) often poses a challenge. In this paper, we'reverse engineer' SSL, conducting an in-depth empirical analysis of its learned internal representations, encompassing diverse models, architectures, and hyperparameters. Our study reveals an intriguing process within the SSL training: an inherent facilitation of semantic label-based clustering, which is surprisingly driven by the regularization component of the SSL objective. This clustering not only enhances downstream classification, but also compresses the information. We further illustrate that the alignment of the SSL-trained representation is more pronounced with semantic classes rather than random functions.

Recently, unsupervised adversarial training (AT) has been highlighted as a means of achieving robustness in models without any label information. Previous studies in unsupervised AT have mostly focused on implementing self-supervised learning (SSL) frameworks, which maximize the instance-wise classification loss to generate adversarial examples. However, we observe that simply maximizing the self-supervised training loss with an untargeted adversarial attack often results in generating ineffective adversaries that may not help improve the robustness of the trained model, especially for non-contrastive SSL frameworks without negative examples. To tackle this problem, we propose a novel positive mining for targeted adversarial attack to generate effective adversaries for adversarial SSL frameworks. Specifically, we introduce an algorithm that selects the most confusing yet similar target example for a given instance based on entropy and similarity, and subsequently perturbs the given instance towards the selected target.

Recent research on online Gradient Balancing (GraB) has revealed that there exist permutation-based example orderings for SGD that are guaranteed to outperform random reshuffling (RR). Whereas RR arbitrarily permutes training examples, GraB leverages stale gradients from prior epochs to order examples -- achieving a provably faster convergence rate than RR. However, GraB is limited by design: while it demonstrates an impressive ability to scale-up training on centralized data, it does not naturally extend to modern distributed ML workloads. We therefore propose Coordinated Distributed GraB (CD-GraB), which uses insights from prior work on kernel thinning to translate the benefits of provably faster permutation-based example ordering to distributed settings. With negligible overhead, CD-GraB exhibits a linear speedup in convergence rate over centralized GraB and outperforms distributed RR on a variety of benchmark tasks.

The emergence of foundation models in Computer Vision and Natural Language Processing have resulted in immense progress on downstream tasks. This progress was enabled by datasets with billions of training examples. Similar benefits are yet to be unlocked for quantum chemistry, where the potential of deep learning is constrained by comparatively small datasets with 100k to 20M training examples. These datasets are limited in size because the labels are computed using the accurate (but computationally demanding) predictions of Density Functional Theory (DFT). Notably, prior DFT datasets were created using CPU supercomputers without leveraging hardware acceleration.

Turn-level dialogue evaluation models (TDEMs), using self-supervised learning (SSL) framework, have achieved state-of-the-art performance in open-domain dialogue evaluation. However, these models inevitably face two potential problems. First, they have low correlations with humans on medium coherence samples as the SSL framework often brings training data with unbalanced coherence distribution. Second, the SSL framework leads TDEM to nonuniform score distribution. There is a danger that the nonuniform score distribution will weaken the robustness of TDEM through our theoretical analysis.

Video self-supervised learning (VSSL) has made significant progress in recent years. However, the exact behavior and dynamics of these models under different forms of distribution shift are not yet known. In this paper, we comprehensively study the behavior of six popular self-supervised methods (v-SimCLR, v-MoCo, v-BYOL, v-SimSiam, v-DINO, v-MAE) in response to various forms of natural distribution shift, i.e., (i) context shift, (ii) viewpoint shift, (iii) actor shift, (iv) source shift, (v) generalizability to unknown classes (zero-shot), and (vi) open-set recognition. To perform this extensive study, we carefully craft a test bed consisting of 17 in-distribution and out-of-distribution benchmark pairs using available public datasets and a series of evaluation protocols to stress-test the different methods under the intended shifts. For instance, we observe that while video models generally struggle with context shifts, v-MAE and supervised learning exhibit more robustness.

Webly supervised learning has attracted increasing attention for its effectiveness in exploring publicly accessible data at scale without manual annotation. However, most existing methods of learning with web datasets are faced with challenges from label noise, and they have limited assumptions on clean samples under various noise. For instance, web images retrieved with queries of "tiger cat" (a cat species) and "drumstick" (a musical instrument) are almost dominated by images of tigers and chickens, which exacerbates the challenge of fine-grained visual concept learning. In this case, exploiting both web images and their associated texts is a requisite solution to combat real-world noise. In this paper, we propose Cross-modality Aligned Prototypes (CAPro), a unified prototypical contrastive learning framework to learn visual representations with correct semantics.

We propose a scheme for auditing differentially private machine learning systems with a single training run. This exploits the parallelism of being able to add or remove multiple training examples independently. We analyze this using the connection between differential privacy and statistical generalization, which avoids the cost of group privacy. Our auditing scheme requires minimal assumptions about the algorithm and can be applied in the black-box or white-box setting. We demonstrate the effectiveness of our framework by applying it to DP-SGD, where we can achieve meaningful empirical privacy lower bounds by training only one model.

We present an extensive study of surrogate losses for structured prediction supported by * H -consistency bounds*. These are recently introduced guarantees that are more relevant to learning than Bayes-consistency, since they are not asymptotic and since they take into account the hypothesis set H used. We first show that no non-trivial H -consistency bound can be derived for widely used surrogate structured prediction losses. We then define several new families of surrogate losses, including *structured comp-sum losses* and *structured constrained losses*, for which we prove H -consistency bounds and thus Bayes-consistency. These loss functions readily lead to new structured prediction algorithms with stronger theoretical guarantees, based on their minimization.