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

Fangchen Yu, Runze Zhao, Zhan Shi, Yiwen Lu, Jicong Fan, Yicheng Zeng, Jianfeng Mao, Wenye Li

Spectral clustering has gained popularity for clustering non-convex data due to its simplicity and effectiveness. It is essential to construct a similarity graph using a high-quality affinity measure that models the local neighborhood relations among the data samples. However, incomplete data can lead to inaccurate affinity measures, resulting in degraded clustering performance. To address these issues, we propose an imputation-free framework with two novel approaches to improve spectral clustering on incomplete data. Firstly, we introduce a new kernel correction method that enhances the quality of the kernel matrix estimated on incomplete data with a theoretical guarantee, benefiting classical spectral clustering on pre-defined kernels. Secondly, we develop a series of affinity learning methods that equip the self-expressive framework with $\ell_p$-norm to construct an intrinsic affinity matrix with an adaptive extension. Our methods outperform existing data imputation and distance calibration techniques on benchmark datasets, offering a promising solution to spectral clustering on incomplete data in various real-world applications.

Miscellaneous Aspects of Machine Learning/Supervised Learning

Wittawat Jitkrittum, Neha Gupta, Aditya Menon, Harikrishna Narasimhan, Ankit Rawat, Sanjiv Kumar

Cascades are a classical strategy to enable inference cost to vary adaptively across samples, wherein a sequence of classifiers are invoked in turn. A deferral rule determines whether to invoke the next classifier in the sequence, or to terminate prediction. One simple deferral rule employs the confidence of the current classifier, e.g., based on the maximum predicted softmax probability. Despite being oblivious to the structure of the cascade --- e.g., not modelling the errors of downstream models --- such confidence-based deferral often works remarkably well in practice. In this paper, we seek to better understand the conditions under which confidence-based deferral may fail, and when alternate deferral strategies can perform better. We first present a theoretical characterisation of the optimal deferral rule, which precisely characterises settings under which confidence-based deferral may suffer. We then study post-hoc deferral mechanisms, and demonstrate they can significantly improve upon confidence-based deferral in settings where (i) downstream models are specialists that only work well on a subset of inputs, (ii) samples are subject to label noise, and (iii) there is distribution shift between the train and test set.

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

Wei Wang, Lei Feng, Yuchen Jiang, Gang Niu, Min-Ling Zhang, Masashi Sugiyama

Recently, learning with soft labels has been shown to achieve better performance than learning with hard labels in terms of model generalization, calibration, and robustness. However, collecting pointwise labeling confidence for all training examples can be challenging and time-consuming in real-world scenarios. This paper delves into a novel weakly supervised binary classification problem called confidence-difference (ConfDiff) classification. Instead of pointwise labeling confidence, we are given only unlabeled data pairs with confidence difference that specifies the difference in the probabilities of being positive. We propose a risk-consistent approach to tackle this problem and show that the estimation error bound achieves the optimal convergence rate. We also introduce a risk correction approach to mitigate overfitting problems, whose consistency and convergence rate are also proven. Extensive experiments on benchmark data sets and a real-world recommender system data set validate the effectiveness of our proposed approaches in exploiting the supervision information of the confidence difference.

Miscellaneous Aspects of Machine Learning/Representation Learning

Guillaume Huguet, Alexander Tong, Edward De Brouwer, Yanlei Zhang, Guy Wolf, Ian Adelstein, Smita Krishnaswamy

Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances, and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

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

Siyuan Sun, Hongyang Gao

We introduce Meta-AdaM, a meta-learned adaptive optimizer with momentum, designed for few-shot learning tasks that pose significant challenges to deep learning models due to the limited number of labeled examples. Meta-learning has been successfully employed to address these challenges by transferring meta-learned prior knowledge to new tasks. Most existing works focus on meta-learning an optimal model initialization or an adaptive learning rate learner for rapid convergence. However, these approaches either neglect to consider weight-update history for the adaptive learning rate learner or fail to effectively integrate momentum for fast convergence, as seen in many-shot learning settings. To tackle these limitations, we propose a meta-learned learning rate learner that utilizes weight-update history as input to predict more appropriate learning rates for rapid convergence. Furthermore, for the first time, our approach incorporates momentum into the optimization process of few-shot learning via a double look-ahead mechanism, enabling rapid convergence similar to many-shot settings. Extensive experimental results on benchmark datasets demonstrate the effectiveness of the proposed Meta-AdaM.

Miscellaneous Aspects of Machine Learning/Supervised Learning

Nora Schneider, Shirin Goshtasbpour, Fernando Perez-Cruz

We propose a novel algorithm for data augmentation in nonlinear over-parametrized regression. Our data augmentation algorithm borrows from the literature on causality. Contrary to the current state-of-the-art solutions that rely on modifications of Mixup algorithm, we extend the recently proposed distributionally robust Anchor regression (AR) method for data augmentation. Our Anchor Data Augmentation (ADA) uses several replicas of the modified samples in AR to provide more training examples, leading to more robust regression predictions. We apply ADA to linear and nonlinear regression problems using neural networks. ADA is competitive with state-of-the-art C-Mixup solutions.

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

Lorenzo Perini, Jesse Davis

Anomaly detection aims at detecting unexpected behaviours in the data. Because anomaly detection is usually an unsupervised task, traditional anomaly detectors learn a decision boundary by employing heuristics based on intuitions, which are hard to verify in practice. This introduces some uncertainty, especially close to the decision boundary, that may reduce the user trust in the detector's predictions. A way to combat this is by allowing the detector to reject predictions with high uncertainty (Learning to Reject). This requires employing a confidence metric that captures the distance to the decision boundary and setting a rejection threshold to reject low-confidence predictions. However, selecting a proper metric and setting the rejection threshold without labels are challenging tasks. In this paper, we solve these challenges by setting a constant rejection threshold on the stability metric computed by ExCeeD. Our insight relies on a theoretical analysis of such a metric. Moreover, setting a constant threshold results in strong guarantees: we estimate the test rejection rate, and derive a theoretical upper bound for both the rejection rate and the expected prediction cost. Experimentally, we show that our method outperforms some metric-based methods.

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

Massil HIHAT, Stéphane Gaïffas, Guillaume Garrigos, Simon Bussy

We study multi-product inventory control problems where a manager makes sequential replenishment decisions based on partial historical information in order to minimize its cumulative losses. Our motivation is to consider general demands, losses and dynamics to go beyond standard models which usually rely on newsvendor-type losses, fixed dynamics, and unrealistic i.i.d. demand assumptions. We propose MaxCOSD, an online algorithm that has provable guarantees even for problems with non-i.i.d. demands and stateful dynamics, including for instance perishability. We consider what we call non-degeneracy assumptions on the demand process, and argue that they are necessary to allow learning.

Miscellaneous Aspects of Machine Learning/Scalable Algorithms

Guillaume Mahey, Laetitia Chapel, Gilles Gasso, Clément Bonet, Nicolas Courty

Wasserstein distance (WD) and the associated optimal transport plan have been proven useful in many applications where probability measures are at stake. In this paper, we propose a new proxy of the squared WD, coined $\textnormal{min-SWGG}$, that is based on the transport map induced by an optimal one-dimensional projection of the two input distributions. We draw connections between $\textnormal{min-SWGG}$, and Wasserstein generalized geodesics in which the pivot measure is supported on a line. We notably provide a new closed form for the exact Wasserstein distance in the particular case of one of the distributions supported on a line allowing us to derive a fast computational scheme that is amenable to gradient descent optimization. We show that $\textnormal{min-SWGG}$, is an upper bound of WD and that it has a complexity similar to as Sliced-Wasserstein, with the additional feature of providing an associated transport plan. We also investigate some theoretical properties such as metricity, weak convergence, computational and topological properties. Empirical evidences support the benefits of $\textnormal{min-SWGG}$, in various contexts, from gradient flows, shape matching and image colorization, among others.

Miscellaneous Aspects of Machine Learning/Causality

Mateusz Olko, Michał Zając, Aleksandra Nowak, Nino Scherrer, Yashas Annadani, Stefan Bauer, Łukasz Kuciński, Piotr Miłoś

Inferring causal structure from data is a challenging task of fundamental importance in science. Often, observational data alone is not enough to uniquely identify a system’s causal structure. The use of interventional data can address this issue, however, acquiring these samples typically demands a considerable investment of time and physical or financial resources. In this work, we are concerned with the acquisition of interventional data in a targeted manner to minimize the number of required experiments. We propose a novel Gradient-based Intervention Targeting method, abbreviated GIT, that ’trusts’ the gradient estimator of a gradient-based causal discovery framework to provide signals for the intervention targeting function. We provide extensive experiments in simulated and real-world datasets and demonstrate that GIT performs on par with competitive baselines, surpassing them in the low-data regime.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Kunjal Panchal, Sunav Choudhary, Nisarg Parikh, Lijun Zhang, Hui Guan

Federated learning (FL) suffers from data heterogeneity, where the diverse data distributions across clients make it challenging to train a single global model effectively. Existing personalization approaches aim to address the data heterogeneity issue by creating a personalized model for each client from the global model that fits their local data distribution. However, these personalized models may achieve lower accuracy than the global model in some clients, resulting in limited performance improvement compared to that without personalization. To overcome this limitation, we propose a per-instance personalization FL algorithm Flow. Flow creates dynamic personalized models that are adaptive not only to each client’s data distributions but also to each client’s data instances. The personalized model allows each instance to dynamically determine whether it prefers the local parameters or its global counterpart to make correct predictions, thereby improving clients’accuracy. We provide theoretical analysis on the convergence of Flow and empirically demonstrate the superiority of Flow in improving clients’ accuracy compared to state-of-the-art personalization approaches on both vision and language-based tasks.

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

Mingyu Xu, Zheng Lian, Lei Feng, Bin Liu, Jianhua Tao

Noisy partial label learning (noisy PLL) is an important branch of weakly supervised learning. Unlike PLL where the ground-truth label must conceal in the candidate label set, noisy PLL relaxes this constraint and allows the ground-truth label may not be in the candidate label set. To address this challenging problem, most of the existing works attempt to detect noisy samples and estimate the ground-truth label for each noisy sample. However, detection errors are unavoidable. These errors can accumulate during training and continuously affect model optimization. To this end, we propose a novel framework for noisy PLL with theoretical interpretations, called ``Adjusting Label Importance Mechanism (ALIM)''. It aims to reduce the negative impact of detection errors by trading off the initial candidate set and model outputs. ALIM is a plug-in strategy that can be integrated with existing PLL approaches. Experimental results on multiple benchmark datasets demonstrate that our method can achieve state-of-the-art performance on noisy PLL. Our code is available at: https://github.com/zeroQiaoba/ALIM.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Lei Xu, Lei Chen, Rong Wang, Feiping Nie, Xuelong Li

Feature selection (FS) plays an important role in machine learning, which extracts important features and accelerates the learning process. In this paper, we propose a deep FS method that simultaneously conducts feature selection and differentiable $ k $-NN graph learning based on the Dirichlet Energy. The Dirichlet Energy identifies important features by measuring their smoothness on the graph structure, and facilitates the learning of a new graph that reflects the inherent structure in new feature subspace. We employ Optimal Transport theory to address the non-differentiability issue of learning $ k $-NN graphs in neural networks, which theoretically makes our method applicable to other graph neural networks for dynamic graph learning. Furthermore, the proposed framework is interpretable, since all modules are designed algorithmically. We validate the effectiveness of our model with extensive experiments on both synthetic and real-world datasets.

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

Yingjun Du, Zehao Xiao, Shengcai Liao, Cees Snoek

Prototype-based meta-learning has emerged as a powerful technique for addressing few-shot learning challenges. However, estimating a deterministic prototype using a simple average function from a limited number of examples remains a fragile process. To overcome this limitation, we introduce ProtoDiff, a novel framework that leverages a task-guided diffusion model during the meta-training phase to gradually generate prototypes, thereby providing efficient class representations. Specifically, a set of prototypes is optimized to achieve per-task prototype overfitting, enabling accurately obtaining the overfitted prototypes for individual tasks.Furthermore, we introduce a task-guided diffusion process within the prototype space, enabling the meta-learning of a generative process that transitions from a vanilla prototype to an overfitted prototype. ProtoDiff gradually generates task-specific prototypes from random noise during the meta-test stage, conditioned on the limited samples available for the new task. Furthermore, to expedite training and enhance ProtoDiff's performance, we propose the utilization of residual prototype learning, which leverages the sparsity of the residual prototype. We conduct thorough ablation studies to demonstrate its ability to accurately capture the underlying prototype distribution and enhance generalization. The new state-of-the-art performance on within-domain, cross-domain, and few-task few-shot classification further substantiates the benefit of ProtoDiff.

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

Wenxuan Ma, Shuang Li, lincan Cai, Jingxuan Kang

Developing generalizable models that can effectively learn from limited data and with minimal reliance on human supervision is a significant objective within the machine learning community, particularly in the era of deep neural networks. Therefore, to achieve data-efficient learning, researchers typically explore approaches that can leverage more related or unlabeled data without necessitating additional manual labeling efforts, such as Semi-Supervised Learning (SSL), Transfer Learning (TL), and Data Augmentation (DA).SSL leverages unlabeled data in the training process, while TL enables the transfer of expertise from related data distributions. DA broadens the dataset by synthesizing new data from existing examples. However, the significance of additional knowledge contained within labels has been largely overlooked in research. In this paper, we propose a novel perspective on data efficiency that involves exploiting the semantic information contained in the labels of the available data. Specifically, we introduce a Language Semantic Graph (LSG) which is constructed from labels manifest as natural language descriptions. Upon this graph, an auxiliary graph neural network is trained to extract high-level semantic relations and then used to guide the training of the primary model, enabling more adequate utilization of label knowledge. Across image, video, and audio modalities, we utilize the LSG method in both TL and SSL scenarios and illustrate its versatility in significantly enhancing performance compared to other data-efficient learning approaches. Additionally, our in-depth analysis shows that the LSG method also expedites the training process.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Xiran Fan, Chun-Hao Yang, Baba Vemuri

Hyperbolic spaces have been quite popular in the recent past for representing hierarchically organized data. Further, several classification algorithms for data in these spaces have been proposed in the literature. These algorithms mainly use either hyperplanes or geodesics for decision boundaries in a large margin classifiers setting leading to a non-convex optimization problem. In this paper, we propose a novel large margin classifier based on horospherical decision boundaries that leads to a geodesically convex optimization problem that can be optimized using any Riemannian gradient descent technique guaranteeing a globally optimal solution. We present several experiments depicting the competitive performance of our classifier in comparison to SOTA.

Miscellaneous Aspects of Machine Learning/Causality

Murat Kocaoglu

Constraint-based causal discovery algorithms learn part of the causal graph structure by systematically testing conditional independences observed in the data. These algorithms, such as the PC algorithm and its variants, rely on graphical characterizations of the so-called equivalence class of causal graphs proposed by Pearl. However, constraint-based causal discovery algorithms struggle when data is limited since conditional independence tests quickly lose their statistical power, especially when the conditioning set is large. To address this, we propose using conditional independence tests where the size of the conditioning set is upper bounded by some integer k for robust causal discovery. The existing graphical characterizations of the equivalence classes of causal graphs are not applicable when we cannot leverage all the conditional independence statements. We first define the notion of k-Markov equivalence: Two causal graphs are k-Markov equivalent if they entail the same conditional independence constraints where the conditioning set size is upper bounded by k. We propose a novel representation that allows us to graphically characterize k-Markov equivalence between two causal graphs. We propose a sound constraint-based algorithm called the k-PC algorithm for learning this equivalence class. Finally, we conduct synthetic, and semi-synthetic experiments to demonstrate that the k-PC algorithm enables more robust causal discovery in the small sample regime compared to the baseline algorithms.

Miscellaneous Aspects of Machine Learning/Causality

Nils Sturma, Chandler Squires, Mathias Drton, Caroline Uhler

The goal of causal representation learning is to find a representation of data that consists of causally related latent variables. We consider a setup where one has access to data from multiple domains that potentially share a causal representation. Crucially, observations in different domains are assumed to be unpaired, that is, we only observe the marginal distribution in each domain but not their joint distribution. In this paper, we give sufficient conditions for identifiability of the joint distribution and the shared causal graph in a linear setup. Identifiability holds if we can uniquely recover the joint distribution and the shared causal representation from the marginal distributions in each domain. We transform our results into a practical method to recover the shared latent causal graph.

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

Lucas Page-Caccia, Edoardo Maria Ponti, Zhan Su, Matheus Pereira, Nicolas Le Roux, Alessandro Sordoni

Parameter-efficient fine-tuning (PEFT) for cross-task generalization consists in pre-training adapters on a multi-task training set before few-shot adaptation to test tasks. Polytropon [Ponti et al., 2023] ($\texttt{Poly}$) jointly learns an inventory of adapters and a *routing* function that selects a (variable-size) subset of adapters for each task during both pre-training and few-shot adaptation. In this paper, we investigate the role that adapter routing plays in its success and design new variants based on our findings.First, we build on the intuition that finer-grained routing provides more expressivity. Hence,we propose $\texttt{MHR}$ (Multi-Head Routing) which combines *subsets* of adapter parameters and outperforms $\texttt{Poly}$ under a comparable parameter budget; by only fine-tuning the routing function and not the adapters ($\texttt{MHR}$-$z$) we achieve competitive performance with extreme parameter efficiency. Second, we find that $\texttt{Poly}$/$\texttt{MHR}$ performance is a result of better multi-task optimization, rather than modular inductive biases that facilitate adapter recombination and local adaptation, as previously hypothesized. In fact, we find that $\texttt{MHR}$ exhibits high gradient alignment between training tasks. We find that routing is most beneficial during multi-task pre-training rather than during few-shot adaptation and propose $\texttt{MHR}$-$\mu$, which discards routing and fine-tunes the average of the pre-trained adapters on each downstream tasks. This establishes $\texttt{MHR}$-$\mu$ as an effective method for single-adapter fine-tuning. We also show that $\texttt{MHR}$-$\mu$ can be used as an effective zero-shot transfer method by training the average of the pre-trained adapters for a few additional steps on the multi-task training set: this yields gains up to 3\% on absolute accuracy w.r.t. the baselines. Code is available at <https://github.com/microsoft/mttl>.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Mingjia Shi, Yuhao Zhou, Kai Wang, Huaizheng Zhang, Shudong Huang, Qing Ye, Jiancheng Lv

Classical federated learning (FL) enables training machine learning models without sharing data for privacy preservation, but heterogeneous data characteristic degrades the performance of the localized model. Personalized FL (PFL) addresses this by synthesizing personalized models from a global model via training on local data. Such a global model may overlook the specific information that the clients have been sampled. In this paper, we propose a novel scheme to inject personalized prior knowledge into the global model in each client, which attempts to mitigate the introduced incomplete information problem in PFL. At the heart of our proposed approach is a framework, the $\textit{PFL with Bregman Divergence}$ (pFedBreD), decoupling the personalized prior from the local objective function regularized by Bregman divergence for greater adaptability in personalized scenarios. We also relax the mirror descent (RMD) to extract the prior explicitly to provide optional strategies. Additionally, our pFedBreD is backed up by a convergence analysis. Sufficient experiments demonstrate that our method reaches the $\textit{state-of-the-art}$ performances on 5 datasets and outperforms other methods by up to 3.5% across 8 benchmarks. Extensive analyses verify the robustness and necessity of proposed designs. The code will be made public.