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Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Devavrat Tomar, Guillaume Vray, Jean-Philippe Thiran, Behzad Bozorgtabar

Recent test-time adaptation methods heavily rely on nuanced adjustments of batch normalization (BN) parameters. However, one critical assumption often goes overlooked: that of independently and identically distributed (i.i.d.) test batches with respect to unknown labels. This oversight leads to skewed BN statistics and undermines the reliability of the model under non-i.i.d. scenarios. To tackle this challenge, this paper presents a novel method termed '$\textbf{Un-Mix}$ing $\textbf{T}$est-Time $\textbf{N}$ormalization $\textbf{S}$tatistics' (UnMix-TNS). Our method re-calibrates the statistics for each instance within a test batch by $\textit{mixing}$ it with multiple distinct statistics components, thus inherently simulating the i.i.d. scenario. The core of this method hinges on a distinctive online $\textit{unmixing}$ procedure that continuously updates these statistics components by incorporating the most similar instances from new test batches. Remarkably generic in its design, UnMix-TNS seamlessly integrates with a wide range of leading test-time adaptation methods and pre-trained architectures equipped with BN layers. Empirical evaluations corroborate the robustness of UnMix-TNS under varied scenarios—ranging from single to continual and mixed domain shifts, particularly excelling with temporally correlated test data and corrupted non-i.i.d. real-world streams. This adaptability is maintained even with very small batch sizes or single instances. Our results highlight UnMix-TNS's capacity to markedly enhance stability and performance across various benchmarks. Our code is publicly available at https://github.com/devavratTomar/unmixtns.

Miscellaneous Aspects of Machine Learning · Causality

Debo Cheng, Ziqi Xu, Jiuyong Li, Lin Liu, Jixue Liu, Thuc Le

This paper studies the challenging problem of estimating causal effects from observational data, in the presence of unobserved confounders. The two-stage least square (TSLS) method and its variants with a standard instrumental variable (IV) are commonly used to eliminate confounding bias, including the bias caused by unobserved confounders, but they rely on the linearity assumption. Besides, the strict condition of unconfounded instruments posed on a standard IV is too strong to be practical. To address these challenging and practical problems of the standard IV method (linearity assumption and the strict condition), in this paper, we use a conditional IV (CIV) to relax the unconfounded instrument condition of standard IV and propose a non-linear \underline{CIV} regression with \underline{C}onfounding \underline{B}alancing \underline{R}epresentation \underline{L}earning, CBRL.CIV, for jointly eliminating the confounding bias from unobserved confounders and balancing the observed confounders, without the linearity assumption. We theoretically demonstrate the soundness of CBRL.CIV. Extensive experiments on synthetic and two real-world datasets show the competitive performance of CBRL.CIV against state-of-the-art IV-based estimators and superiority in dealing with the non-linear situation.

Miscellaneous Aspects of Machine Learning · Causality

Mehdi Fatemi, Sindhu Chatralinganadoddi Mariyappa Gowda

We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.

Miscellaneous Aspects of Machine Learning · Causality

Dennis Frauen, Fergus Imrie, Alicia Curth, Valentyn Melnychuk, Stefan Feuerriegel, Mihaela van der Schaar

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, $f$-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. This generality is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

Miscellaneous Aspects of Machine Learning · Causality

Valentyn Melnychuk, Dennis Frauen, Stefan Feuerriegel

State-of-the-art methods for conditional average treatment effect (CATE) estimation make widespread use of representation learning. Here, the idea is to reduce the variance of the low-sample CATE estimation by a (potentially constrained) low-dimensional representation. However, low-dimensional representations can lose information about the observed confounders and thus lead to bias, because of which the validity of representation learning for CATE estimation is typically violated. In this paper, we propose a new, representation-agnostic refutation framework for estimating bounds on the representation-induced confounding bias that comes from dimensionality reduction (or other constraints on the representations) in CATE estimation. First, we establish theoretically under which conditions CATE is non-identifiable given low-dimensional (constrained) representations. Second, as our remedy, we propose a neural refutation framework which performs partial identification of CATE or, equivalently, aims at estimating lower and upper bounds of the representation-induced confounding bias. We demonstrate the effectiveness of our bounds in a series of experiments. In sum, our refutation framework is of direct relevance in practice where the validity of CATE estimation is of importance.

Miscellaneous Aspects of Machine Learning · Causality

Yong Wu, Yanwei Fu, Shouyan Wang, Xinwei Sun

Proximal causal learning is a powerful framework for identifying the causal effect under the existence of unmeasured confounders. Within this framework, the doubly robust (DR) estimator was derived and has shown its effectiveness in estimation, especially when the model assumption is violated. However, the current form of the DR estimator is restricted to binary treatments, while the treatments can be continuous in many real-world applications. The primary obstacle to continuous treatments resides in the delta function present in the original DR estimator, making it infeasible in causal effect estimation and introducing a heavy computational burden in nuisance function estimation. To address these challenges, we propose a kernel-based DR estimator that can well handle continuous treatments for proximal causal learning. Equipped with its smoothness, we show that its oracle form is a consistent approximation of the influence function. Further, we propose a new approach to efficiently solve the nuisance functions. We then provide a comprehensive convergence analysis in terms of the mean square error. We demonstrate the utility of our estimator on synthetic datasets and real-world applications.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Yilang Zhang, Georgios B Giannakis

Relying on prior knowledge accumulated from related tasks, meta-learning offers a powerful approach to learning a novel task from a limited number of training data. Recent approaches use a family of prior probability density functions or recurrent neural network models, whose parameters can be optimized by utilizing labeled data from the observed tasks. While these approaches have appealing empirical performance, expressiveness of their prior is relatively low, which limits generalization and interpretation of meta-learning. Aiming at expressive yet meaningful priors, this contribution puts forth a novel prior representation model that leverages the notion of algorithm unrolling. The key idea is to unroll the proximal gradient descent steps, where learnable piecewise linear functions are developed to approximate the desired proximal operators within *tight* theoretical error bounds established for both smooth and non-smooth proximal functions. The resultant multi-block neural network not only broadens the scope of learnable priors, but also enhances interpretability from an optimization viewpoint. Numerical tests conducted on few-shot learning datasets demonstrate markedly improved performance with flexible, visualizable, and understandable priors.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Germain Kolossov, Andrea Montanari, Pulkit Tandon

Given a sample of size $N$, it is often useful to select a subsample of smaller size $n<N$ to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given $N$ unlabeled samples $x_{i}$, and to be given access to a 'surrogate model' that can predict labels $y_i$ better than random guessing. Our goal is to select a subset of the samples, to be denoted by {$x_{i}$}$_{i\in G}$, of size $|G|=n<N$. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: $(i)$ Data selection can be very effective, in particular beating training on the full sample in some cases; $(ii)$ Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Hugo Lebeau, Mohamed El Amine Seddik, José Henrique Goulart

We study the estimation of a planted signal hidden in a recently introduced nested matrix-tensor model, which is an extension of the classical spiked rank-one tensor model, motivated by multi-view clustering. Prior work has theoretically examined the performance of a tensor-based approach, which relies on finding a best rank-one approximation, a problem known to be computationally hard. A tractable alternative approach consists in computing instead the best rank-one (matrix) approximation of an unfolding of the observed tensor data, but its performance was hitherto unknown. We quantify here the performance gap between these two approaches, in particular by deriving the precise algorithmic threshold of the unfolding approach and demonstrating that it exhibits a BBP-type transition behavior. This work is therefore in line with recent contributions which deepen our understanding of why tensor-based methods surpass matrix-based methods in handling structured tensor data.

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Nishant Yadav, Nicholas Monath, Manzil Zaheer, Rob Fergus, Andrew McCallum

Cross-encoder (CE) models which compute similarity by jointly encoding a query-item pair perform better than using dot-product with embedding-based models (dual-encoders) at estimating query-item relevance. Existing approaches perform k-NN search with cross-encoders by approximating the CE similarity with a vector embedding space fit either with dual-encoders (DE) or CUR matrix factorization. DE-based retrieve-and-rerank approaches suffer from poor recall as DE generalizes poorly to new domains and the test-time retrieval with DE is decoupled from the CE. While CUR-based approaches can be more accurate than the DE-based retrieve-and-rerank approach, such approaches require a prohibitively large number of CE calls to compute item embeddings, thus making it impractical for deployment at scale. In this paper, we address these shortcomings with our proposed sparse-matrix factorization based method that efficiently computes latent query and item representations to approximate CE scores and performs k-NN search with the approximate CE similarity. In an offline indexing stage, we compute item embeddings by factorizing a sparse matrix containing query-item CE scores for a set of train queries. Our method produces a high-quality approximation while requiring only a fraction of CE similarity calls as compared to CUR-based methods, and allows for leveraging DE models to initialize the embedding space while avoiding compute- and resource-intensive finetuning of DE via distillation. At test time, we keep item embeddings fixed and perform retrieval over multiple rounds, alternating between a) estimating the test query embedding by minimizing error in approximating CE scores of items retrieved thus far, and b) using the updated test query embedding for retrieving more items in the next round. Our proposed k-NN search method can achieve up to 5 and 54 improvement in k-NN recall for k=1 and 100 respectively over the widely-used DE-based retrieve-and-rerank approach. Furthermore, our proposed approach to index the items by aligning item embeddings with the CE achieves up to 100x and 5x speedup over CUR-based and dual-encoder distillation based approaches respectively while matching or improving k-NN search recall over baselines.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Ruipeng Zhang, Ziqing Fan, Jiangchao Yao, Ya Zhang, Yanfeng Wang

This paper presents a Domain-Inspired Sharpness-Aware Minimization (DISAM) algorithm for optimization under domain shifts. It is motivated by the inconsistent convergence degree of SAM across different domains, which induces optimization bias towards certain domains and thus impairs the overall convergence. To address this issue, we consider the domain-level convergence consistency in the sharpness estimation to prevent the overwhelming (deficient) perturbations for less (well) optimized domains. Specifically, DISAM introduces the constraint of minimizing variance in the domain loss, which allows the elastic gradient calibration in perturbation generation: when one domain is optimized above the averaging level w.r.t. loss, the gradient perturbation towards that domain will be weakened automatically, and vice versa. Under this mechanism, we theoretically show that DISAM can achieve faster overall convergence and improved generalization in principle when inconsistent convergence emerges. Extensive experiments on various domain generalization benchmarks show the superiority of DISAM over a range of state-of-the-art methods. Furthermore, we show the superior efficiency of DISAM in parameter-efficient fine-tuning combined with the pretraining models. The source code is released at https://github.com/MediaBrain-SJTU/DISAM.

Miscellaneous Aspects of Machine Learning · Representation Learning

Qiuyi Chen, Mark Fuge

This paper introduces Least Volume---a simple yet effective regularization inspired by geometric intuition---that can reduce the necessary number of latent dimensions needed by an autoencoder without requiring any prior knowledge of the intrinsic dimensionality of the dataset. We show that the Lipschitz continuity of the decoder is the key to making it work, provide a proof that PCA is just a linear special case of it, and reveal that it has a similar PCA-like importance ordering effect when applied to nonlinear models. We demonstrate the intuition behind the regularization on some pedagogical toy problems, and its effectiveness on several benchmark problems, including MNIST, CIFAR-10 and CelebA.

Miscellaneous Aspects of Machine Learning · Causality

Guangyi Chen, Yuke Li, Xiao Liu, Zijian Li, Eman Al Suradi, Donglai Wei, Kun Zhang

Current approaches to Video Question Answering (VideoQA) primarily focus on cross-modality matching, which is limited by the requirement for extensive data annotations and the insufficient capacity for causal reasoning (e.g. attributing accidents). To address these challenges, we introduce a causal framework for video reasoning, termed Learning Latent Causal Processes (LLCP). At the heart of LLCP lies a multivariate generative model designed to analyze the spatial-temporal dynamics of objects within events. Leveraging the inherent modularity of causal mechanisms, we train the model through self-supervised local auto-regression eliminating the need for annotated question-answer pairs. During inference, the model is applied to answer two types of reasoning questions: accident attribution, which infers the cause from observed effects, and counterfactual prediction, which predicts the effects of counterfactual conditions given the factual evidence. In the first scenario, we identify variables that deviate from the established distribution by the learned model, signifying the root cause of accidents. In the second scenario, we replace embeddings of previous variables with counterfactual ones, enabling us to forecast potential developments. Once we have identified these cause/effect variables, natural language answers are derived through a combination of grammatical parsing and a pre-trained vision-language model. We assess the efficacy of LLCP on both synthetic and real-world data, demonstrating comparable performance to supervised methods despite our framework using no paired textual annotations.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Xuefeng Du, Zhen Fang, Ilias Diakonikolas, Yixuan Li

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Harikrishna Narasimhan, Aditya Krishna Menon, Wittawat Jitkrittum, Sanjiv Kumar

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how naïve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection trade-offs compared to common baselines.

Miscellaneous Aspects of Machine Learning · Representation Learning

Shuai Fu, Xiequn Wang, Qiushi Huang, Yu Zhang

With the prevalence of large-scale pretrained vision-language models (VLMs), such as CLIP, soft-prompt tuning has become a popular method for adapting these models to various downstream tasks. However, few works delve into the inherent properties of learnable soft-prompt vectors, specifically the impact of their norms to the performance of VLMs. This motivates us to pose an unexplored research question: ``Do we need to normalize the soft prompts in VLMs?'' To fill this research gap, we first uncover a phenomenon, called the $\textbf{Low-Norm Effect}$ by performing extensive corruption experiments, suggesting that reducing the norms of certain learned prompts occasionally enhances the performance of VLMs, while increasing them often degrades it. To harness this effect, we propose a novel method named $\textbf{N}$ormalizing th$\textbf{e}$ soft-pro$\textbf{m}$pt v$\textbf{e}$ctors of vi$\textbf{si}$on-language model$\textbf{s}$ ($\textbf{Nemesis}$) to normalize soft-prompt vectors in VLMs. To the best of our knowledge, our work is the first to systematically investigate the role of norms of soft-prompt vector in VLMs, offering valuable insights for future research in soft-prompt tuning.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Zhenheng Tang, Yonggang Zhang, Shaohuai Shi, Xinmei Tian, Tongliang Liu, Bo Han, Xiaowen Chu

Federated Learning (FL) models often experience client drift caused by heterogeneous data, where the distribution of data differs across clients. To address this issue, advanced research primarily focuses on manipulating the existing gradients to achieve more consistent client models. In this paper, we present an alternative perspective on client drift and aim to mitigate it by generating improved local models. First, we analyze the generalization contribution of local training and conclude that this generalization contribution is bounded by the conditional Wasserstein distance between the data distribution of different clients. Then, we propose FedImpro, to construct similar conditional distributions for local training. Specifically, FedImpro decouples the model into high-level and low-level components, and trains the high-level portion on reconstructed feature distributions. This approach enhances the generalization contribution and reduces the dissimilarity of gradients in FL. Experimental results show that FedImpro can help FL defend against data heterogeneity and enhance the generalization performance of the model.

Miscellaneous Aspects of Machine Learning · Everything Else

Shuai Zhao, Xiaohan Wang, Linchao Zhu, Yi Yang

One fascinating aspect of pre-trained vision-language models (VLMs) learning under language supervision is their impressive zero-shot generalization capability.However, this ability is hindered by distribution shifts between the training and testing data.Previous test time adaptation (TTA) methods for VLMs in zero-shot classification rely on minimizing the entropy of model outputs, tending to be stuck in incorrect model predictions.In this work, we propose TTA with feedback to rectify the model output and prevent the model from becoming blindly confident.Specifically, a CLIP model is adopted as the reward model during TTA and provides feedback for the VLM.Given a single test sample,the VLM is forced to maximize the CLIP reward between the input and sampled results from the VLM output distribution.The proposed \textit{reinforcement learning with CLIP feedback~(RLCF)} framework is highly flexible and universal.Beyond the classification task, with task-specific sampling strategies and a proper reward baseline choice, RLCF can be easily extended to not only discrimination tasks like retrieval but also generalization tasks like image captioning,improving the zero-shot generalization capacity of VLMs.According to the characteristics of these VL tasks, we build different fully TTA pipelines with RLCF to improve the zero-shot generalization ability of various VLMs.Extensive experiments along with promisingempirical results demonstrate the effectiveness of RLCF.The code is available at https://github.com/mzhaoshuai/RLCF.

Miscellaneous Aspects of Machine Learning · Causality

Maresa Schröder, Dennis Frauen, Stefan Feuerriegel

Fairness for machine learning predictions is widely required in practice for legal, ethical, and societal reasons. Existing work typically focuses on settings without unobserved confounding, even though unobserved confounding can lead to severe violations of causal fairness and, thus, unfair predictions. In this work, we analyze the sensitivity of causal fairness to unobserved confounding. Our contributions are three-fold. First, we derive bounds for causal fairness metrics under different sources of observed confounding. This enables practitioners to audit the sensitivity of their machine learning models to unobserved confounding in fairness-critical applications. Second, we propose a novel neural framework for learning fair predictions, which allows us to offer worst-case guarantees of the extent to which causal fairness can be violated due to unobserved confounding. Third, we demonstrate the effectiveness of our framework in a series of experiments, including a real-world case study about predicting prison sentences. To the best of our knowledge, ours is the first work to study causal fairness under observed confounding. To this end, our work is of direct practical value for auditing and ensuring the fairness of predictions in high-stakes applications.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Christopher Fifty, Dennis Duan, Ronald Junkins, Ehsan Amid, Jure Leskovec, Christopher Re, Sebastian Thrun

Large Language Models like ChatGPT demonstrate a remarkable capacity to learn new concepts during inference without any fine-tuning. However, visual models trained to detect new objects during inference have been unable to replicate this ability, and instead either perform poorly or require meta-training and/or fine-tuning on similar objects. In this work, we propose a meta-learning algorithm that emulates Large Language Models by learning new visual concepts during inference without fine-tuning. Our approach leverages a frozen pre-trained feature extractor, and analogous to in-context learning, recasts meta-learning as sequence modeling over datapoints with known labels and a test datapoint with an unknown label. On 8 out of 11 meta-learning benchmarks, our approach---without meta-training or fine-tuning---exceeds or matches the state-of-the-art algorithm, P>M>F, which is meta-trained on these benchmarks.