Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.
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Zero-shot In-context learning is the phenomenon where models can perform the task simply given the instructions. However, pre-trained large language models are known to be poorly calibrated for this task. One of the most effective approaches to handling this bias is to adopt a contrastive decoding objective, which accounts for the prior probability of generating the next token by conditioning on some context. This work introduces an Anti-Language Model objective with a decay factor designed to address the weaknesses of In-context Machine Translation. We conduct our experiments across 3 model types and sizes, 3 language directions, and for both greedy decoding and beam search ($B=5$). The proposed method outperforms other state-of-art decoding objectives, with up to $20$ BLEU point improvement from the default objective observed in some settings.
Transfer learning is an emerging paradigm for leveraging multiple sources to improve the statistical inference on a single target. In this paper, we propose a novel approach named residual importance weighted transfer learning (RIW-TL) for high-dimensional linear models built on penalized likelihood. Compared to existing methods such as Trans-Lasso that selects sources in an all-in-all-out manner, RIW-TL includes samples via importance weighting and thus may permit more effective sample use. To determine the weights, remarkably RIW-TL only requires the knowledge of one-dimensional densities dependent on residuals, thus overcoming the curse of dimensionality of having to estimate high-dimensional densities in naive importance weighting. We show that the oracle RIW-TL provides a faster rate than its competitors and develop a cross-fitting procedure to estimate this oracle. We discuss variants of RIW-TL by adopting different choices for residual weighting. The theoretical properties of RIW-TL and its variants are established and compared with those of LASSO and Trans-Lasso. Extensive simulation and a real data analysis confirm its advantages.
Granular ball computing (GBC), as an efficient, robust, and scalable learning method, has become a popular research topic of granular computing. GBC includes two stages: granular ball generation (GBG) and multi-granularity learning based on the granular ball (GB). However, the stability and efficiency of existing GBG methods need to be further improved due to their strong dependence on $k$-means or $k$-division. In addition, GB-based classifiers only unilaterally consider the GB's geometric characteristics to construct classification rules, but the GB's quality is ignored. Therefore, in this paper, based on the attention mechanism, a fast and stable GBG (GBG++) method is proposed first. Specifically, the proposed GBG++ method only needs to calculate the distances from the data-driven center to the undivided samples when splitting each GB instead of randomly selecting the center and calculating the distances between it and all samples. Moreover, an outlier detection method is introduced to identify local outliers. Consequently, the GBG++ method can significantly improve effectiveness, robustness, and efficiency while being absolutely stable. Second, considering the influence of the sample size within the GB on the GB's quality, based on the GBG++ method, an improved GB-based $k$-nearest neighbors algorithm (GB$k$NN++) is presented, which can reduce misclassification at the class boundary. Finally, the experimental results indicate that the proposed method outperforms several existing GB-based classifiers and classical machine learning classifiers on $24$ public benchmark datasets.
Plug-and-Play (PnP) methods are a class of efficient iterative methods that aim to combine data fidelity terms and deep denoisers using classical optimization algorithms, such as ISTA or ADMM, with applications in inverse problems and imaging. Provable PnP methods are a subclass of PnP methods with convergence guarantees, such as fixed point convergence or convergence to critical points of some energy function. Many existing provable PnP methods impose heavy restrictions on the denoiser or fidelity function, such as non-expansiveness or strict convexity, respectively. In this work, we propose a novel algorithmic approach incorporating quasi-Newton steps into a provable PnP framework based on proximal denoisers, resulting in greatly accelerated convergence while retaining light assumptions on the denoiser. By characterizing the denoiser as the proximal operator of a weakly convex function, we show that the fixed points of the proposed quasi-Newton PnP algorithm are critical points of a weakly convex function. Numerical experiments on image deblurring and super-resolution demonstrate 2--8x faster convergence as compared to other provable PnP methods with similar reconstruction quality.
Multi-modality foundation models, as represented by GPT-4V, have brought a new paradigm for low-level visual perception and understanding tasks, that can respond to a broad range of natural human instructions in a model. While existing foundation models have shown exciting potentials on low-level visual tasks, their related abilities are still preliminary and need to be improved. In order to enhance these models, we conduct a large-scale subjective experiment collecting a vast number of real human feedbacks on low-level vision. Each feedback follows a pathway that starts with a detailed description on the low-level visual appearance (*e.g. clarity, color, brightness* of an image, and ends with an overall conclusion, with an average length of 45 words. The constructed **Q-Pathway** dataset includes 58K detailed human feedbacks on 18,973 images with diverse low-level appearance. Moreover, to enable foundation models to robustly respond to diverse types of questions, we design a GPT-participated conversion to process these feedbacks into diverse-format 200K instruction-response pairs. Experimental results indicate that the **Q-Instruct** consistently elevates low-level perception and understanding abilities across several foundational models. We anticipate that our datasets can pave the way for a future that general intelligence can perceive, understand low-level visual appearance and evaluate visual quality like a human. Our dataset, model zoo, and demo is published at: //q-future.github.io/Q-Instruct.
To facilitate efficient learning, policy gradient approaches to deep reinforcement learning (RL) are typically paired with variance reduction measures and strategies for making large but safe policy changes based on a batch of experiences. Natural policy gradient methods, including Trust Region Policy Optimization (TRPO), seek to produce monotonic improvement through bounded changes in policy outputs. Proximal Policy Optimization (PPO) is a commonly used, first-order algorithm that instead uses loss clipping to take multiple safe optimization steps per batch of data, replacing the bound on the single step of TRPO with regularization on multiple steps. In this work, we find that the performance of PPO, when applied to continuous action spaces, may be consistently improved through a simple change in objective. Instead of the importance sampling objective of PPO, we instead recommend a basic policy gradient, clipped in an equivalent fashion. While both objectives produce biased gradient estimates with respect to the RL objective, they also both display significantly reduced variance compared to the unbiased off-policy policy gradient. Additionally, we show that (1) the clipped-objective policy gradient (COPG) objective is on average "pessimistic" compared to both the PPO objective and (2) this pessimism promotes enhanced exploration. As a result, we empirically observe that COPG produces improved learning compared to PPO in single-task, constrained, and multi-task learning, without adding significant computational cost or complexity. Compared to TRPO, the COPG approach is seen to offer comparable or superior performance, while retaining the simplicity of a first-order method.
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.
Out-of-distribution (OOD) detection is critical to ensuring the reliability and safety of machine learning systems. For instance, in autonomous driving, we would like the driving system to issue an alert and hand over the control to humans when it detects unusual scenes or objects that it has never seen before and cannot make a safe decision. This problem first emerged in 2017 and since then has received increasing attention from the research community, leading to a plethora of methods developed, ranging from classification-based to density-based to distance-based ones. Meanwhile, several other problems are closely related to OOD detection in terms of motivation and methodology. These include anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). Despite having different definitions and problem settings, these problems often confuse readers and practitioners, and as a result, some existing studies misuse terms. In this survey, we first present a generic framework called generalized OOD detection, which encompasses the five aforementioned problems, i.e., AD, ND, OSR, OOD detection, and OD. Under our framework, these five problems can be seen as special cases or sub-tasks, and are easier to distinguish. Then, we conduct a thorough review of each of the five areas by summarizing their recent technical developments. We conclude this survey with open challenges and potential research directions.
Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.
Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.
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