Model selection is a necessary step in unsupervised machine learning. Despite numerous criteria and metrics, model selection remains subjective. A high degree of subjectivity may lead to questions about repeatability and reproducibility of various machine learning studies and doubts about the robustness of models deployed in the real world. Yet, the impact of modelers' preferences on model selection outcomes remains largely unexplored. This study uses the Hidden Markov Model as an example to investigate the subjectivity involved in model selection. We asked 33 participants and three Large Language Models (LLMs) to make model selections in three scenarios. Results revealed variability and inconsistencies in both the participants' and the LLMs' choices, especially when different criteria and metrics disagree. Sources of subjectivity include varying opinions on the importance of different criteria and metrics, differing views on how parsimonious a model should be, and how the size of a dataset should influence model selection. The results underscore the importance of developing a more standardized way to document subjective choices made in model selection processes.
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Dataset distillation, a pragmatic approach in machine learning, aims to create a smaller synthetic dataset from a larger existing dataset. However, existing distillation methods primarily adopt a model-based paradigm, where the synthetic dataset inherits model-specific biases, limiting its generalizability to alternative models. In response to this constraint, we propose a novel methodology termed "model pool". This approach involves selecting models from a diverse model pool based on a specific probability distribution during the data distillation process. Additionally, we integrate our model pool with the established knowledge distillation approach and apply knowledge distillation to the test process of the distilled dataset. Our experimental results validate the effectiveness of the model pool approach across a range of existing models while testing, demonstrating superior performance compared to existing methodologies.
Reconstruction attacks on machine learning (ML) models pose a strong risk of leakage of sensitive data. In specific contexts, an adversary can (almost) perfectly reconstruct training data samples from a trained model using the model's gradients. When training ML models with differential privacy (DP), formal upper bounds on the success of such reconstruction attacks can be provided. So far, these bounds have been formulated under worst-case assumptions that might not hold high realistic practicality. In this work, we provide formal upper bounds on reconstruction success under realistic adversarial settings against ML models trained with DP and support these bounds with empirical results. With this, we show that in realistic scenarios, (a) the expected reconstruction success can be bounded appropriately in different contexts and by different metrics, which (b) allows for a more educated choice of a privacy parameter.
Various data augmentation techniques have been recently proposed in image-based deep reinforcement learning (DRL). Although they empirically demonstrate the effectiveness of data augmentation for improving sample efficiency or generalization, which technique should be preferred is not always clear. To tackle this question, we analyze existing methods to better understand them and to uncover how they are connected. Notably, by expressing the variance of the Q-targets and that of the empirical actor/critic losses of these methods, we can analyze the effects of their different components and compare them. We furthermore formulate an explanation about how these methods may be affected by choosing different data augmentation transformations in calculating the target Q-values. This analysis suggests recommendations on how to exploit data augmentation in a more principled way. In addition, we include a regularization term called tangent prop, previously proposed in computer vision, but whose adaptation to DRL is novel to the best of our knowledge. We evaluate our proposition and validate our analysis in several domains. Compared to different relevant baselines, we demonstrate that it achieves state-of-the-art performance in most environments and shows higher sample efficiency and better generalization ability in some complex environments.
Distributionally robust optimization has emerged as an attractive way to train robust machine learning models, capturing data uncertainty and distribution shifts. Recent statistical analyses have proved that robust models built from Wasserstein ambiguity sets have nice generalization guarantees, breaking the curse of dimensionality. However, these results are obtained in specific cases, at the cost of approximations, or under assumptions difficult to verify in practice. In contrast, we establish, in this article, exact generalization guarantees that cover all practical cases, including any transport cost function and any loss function, potentially non-convex and nonsmooth. For instance, our result applies to deep learning, without requiring restrictive assumptions. We achieve this result through a novel proof technique that combines nonsmooth analysis rationale with classical concentration results. Our approach is general enough to extend to the recent versions of Wasserstein/Sinkhorn distributionally robust problems that involve (double) regularizations.
Task Free online continual learning (TF-CL) is a challenging problem where the model incrementally learns tasks without explicit task information. Although training with entire data from the past, present as well as future is considered as the gold standard, naive approaches in TF-CL with the current samples may be conflicted with learning with samples in the future, leading to catastrophic forgetting and poor plasticity. Thus, a proactive consideration of an unseen future sample in TF-CL becomes imperative. Motivated by this intuition, we propose a novel TF-CL framework considering future samples and show that injecting adversarial perturbations on both input data and decision-making is effective. Then, we propose a novel method named Doubly Perturbed Continual Learning (DPCL) to efficiently implement these input and decision-making perturbations. Specifically, for input perturbation, we propose an approximate perturbation method that injects noise into the input data as well as the feature vector and then interpolates the two perturbed samples. For decision-making process perturbation, we devise multiple stochastic classifiers. We also investigate a memory management scheme and learning rate scheduling reflecting our proposed double perturbations. We demonstrate that our proposed method outperforms the state-of-the-art baseline methods by large margins on various TF-CL benchmarks.
Input space reconstruction is an attractive representation learning paradigm. Despite interpretability of the reconstruction and generation, we identify a misalignment between learning by reconstruction, and learning for perception. We show that the former allocates a model's capacity towards a subspace of the data explaining the observed variance--a subspace with uninformative features for the latter. For example, the supervised TinyImagenet task with images projected onto the top subspace explaining 90\% of the pixel variance can be solved with 45\% test accuracy. Using the bottom subspace instead, accounting for only 20\% of the pixel variance, reaches 55\% test accuracy. The features for perception being learned last explains the need for long training time, e.g., with Masked Autoencoders. Learning by denoising is a popular strategy to alleviate that misalignment. We prove that while some noise strategies such as masking are indeed beneficial, others such as additive Gaussian noise are not. Yet, even in the case of masking, we find that the benefits vary as a function of the mask's shape, ratio, and the considered dataset. While tuning the noise strategy without knowledge of the perception task seems challenging, we provide first clues on how to detect if a noise strategy is never beneficial regardless of the perception task.
Building upon score-based learning, new interest in stochastic localization techniques has recently emerged. In these models, one seeks to noise a sample from the data distribution through a stochastic process, called observation process, and progressively learns a denoiser associated to this dynamics. Apart from specific applications, the use of stochastic localization for the problem of sampling from an unnormalized target density has not been explored extensively. This work contributes to fill this gap. We consider a general stochastic localization framework and introduce an explicit class of observation processes, associated with flexible denoising schedules. We provide a complete methodology, $\textit{Stochastic Localization via Iterative Posterior Sampling}$ (SLIPS), to obtain approximate samples of this dynamics, and as a by-product, samples from the target distribution. Our scheme is based on a Markov chain Monte Carlo estimation of the denoiser and comes with detailed practical guidelines. We illustrate the benefits and applicability of SLIPS on several benchmarks, including Gaussian mixtures in increasing dimensions, Bayesian logistic regression and a high-dimensional field system from statistical-mechanics.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Recently, contrastive learning (CL) has emerged as a successful method for unsupervised graph representation learning. Most graph CL methods first perform stochastic augmentation on the input graph to obtain two graph views and maximize the agreement of representations in the two views. Despite the prosperous development of graph CL methods, the design of graph augmentation schemes -- a crucial component in CL -- remains rarely explored. We argue that the data augmentation schemes should preserve intrinsic structures and attributes of graphs, which will force the model to learn representations that are insensitive to perturbation on unimportant nodes and edges. However, most existing methods adopt uniform data augmentation schemes, like uniformly dropping edges and uniformly shuffling features, leading to suboptimal performance. In this paper, we propose a novel graph contrastive representation learning method with adaptive augmentation that incorporates various priors for topological and semantic aspects of the graph. Specifically, on the topology level, we design augmentation schemes based on node centrality measures to highlight important connective structures. On the node attribute level, we corrupt node features by adding more noise to unimportant node features, to enforce the model to recognize underlying semantic information. We perform extensive experiments of node classification on a variety of real-world datasets. Experimental results demonstrate that our proposed method consistently outperforms existing state-of-the-art baselines and even surpasses some supervised counterparts, which validates the effectiveness of the proposed contrastive framework with adaptive augmentation.
We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.
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