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Miscellaneous Aspects of Machine Learning/Causality

Adrián Javaloy, Pablo Sanchez-Martin, Isabel Valera

In this work, we deepen on the use of normalizing flows for causal reasoning. Specifically, we first leverage recent results on non-linear ICA to show that causal models are identifiable from observational data given a causal ordering, and thus can be recovered using autoregressive normalizing flows (NFs). Second, we analyze different design and learning choices for *causal normalizing flows* to capture the underlying causal data-generating process. Third, we describe how to implement the *do-operator* in causal NFs, and thus, how to answer interventional and counterfactual questions. Finally, in our experiments, we validate our design and training choices through a comprehensive ablation study; compare causal NFs to other approaches for approximating causal models; and empirically demonstrate that causal NFs can be used to address real-world problems—where the presence of mixed discrete-continuous data and partial knowledge on the causal graph is the norm. The code for this work can be found at https://github.com/psanch21/causal-flows.

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

Katie Luo, Zhenzhen Liu, Xiangyu Chen, Yurong You, Sagie Benaim, Cheng Perng Phoo, Mark Campbell, Wen Sun, Bharath Hariharan, Kilian Weinberger

Recent advances in machine learning have shown that Reinforcement Learning from Human Feedback (RLHF) can improve machine learning models and align them with human preferences. Although very successful for Large Language Models (LLMs), these advancements have not had a comparable impact in research for autonomous vehicles—where alignment with human expectations can be imperative. In this paper, we propose to adapt similar RL-based methods to unsupervised object discovery, i.e. learning to detect objects from LiDAR points without any training labels. Instead of labels, we use simple heuristics to mimic human feedback. More explicitly, we combine multiple heuristics into a simple reward function that positively correlates its score with bounding box accuracy, i.e., boxes containing objects are scored higher than those without. We start from the detector’s own predictions to explore the space and reinforce boxes with high rewards through gradient updates. Empirically, we demonstrate that our approach is not only more accurate, but also orders of magnitudes faster to train compared to prior works on object discovery. Code is available at https://github.com/katieluo88/DRIFT.

Miscellaneous Aspects of Machine Learning/Representation Learning

Ignavier Ng, Yujia Zheng, Xinshuai Dong, Kun Zhang

Independent component analysis (ICA) is a fundamental statistical tool used to reveal hidden generative processes from observed data. However, traditional ICA approaches struggle with the rotational invariance inherent in Gaussian distributions, often necessitating the assumption of non-Gaussianity in the underlying sources. This may limit their applicability in broader contexts. To accommodate Gaussian sources, we develop an identifiability theory that relies on second-order statistics without imposing further preconditions on the distribution of sources, by introducing novel assumptions on the connective structure from sources to observed variables. Different from recent work that focuses on potentially restrictive connective structures, our proposed assumption of structural variability is both considerably less restrictive and provably necessary. Furthermore, we propose two estimation methods based on second-order statistics and sparsity constraint. Experimental results are provided to validate our identifiability theory and estimation methods.

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

Nicolas Garcia Trillos, Pengfei He, Chenghui Li

In this work we study statistical properties of graph-based algorithms for multi-manifold clustering (MMC). In MMC the goal is to retrieve the multi-manifold structure underlying a given Euclidean data set when this one is assumed to be obtained by sampling a distribution on a union of manifolds $\M = \M_1 \cup\dots \cup \M_N$ that may intersect with each other and that may have different dimensions. We investigate sufficient conditions that similarity graphs on data sets must satisfy in order for their corresponding graph Laplacians to capture the right geometric information to solve the MMC problem. Precisely, we provide high probability error bounds for the spectral approximation of a tensorized Laplacian on $\M$ with a suitable graph Laplacian built from the observations; the recovered tensorized Laplacian contains all geometric information of all the individual underlying manifolds. We provide an example of a family of similarity graphs, which we call annular proximity graphs with angle constraints, satisfying these sufficient conditions. We contrast our family of graphs with other constructions in the literature based on the alignment of tangent planes. Extensive numerical experiments expand the insights that our theory provides on the MMC problem.

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

Harit Vishwakarma, Heguang Lin, Frederic Sala, Ramya Korlakai Vinayak

Creating large-scale high-quality labeled datasets is a major bottleneck in supervised machine learning workflows. Threshold-based auto-labeling (TBAL), where validation data obtained from humans is used to find a confidence threshold above which the data is machine-labeled, reduces reliance on manual annotation. TBAL is emerging as a widely-used solution in practice. Given the long shelf-life and diverse usage of the resulting datasets, understanding when the data obtained by such auto-labeling systems can be relied on is crucial. This is the first work to analyze TBAL systems and derive sample complexity bounds on the amount of human-labeled validation data required for guaranteeing the quality of machine-labeled data. Our results provide two crucial insights. First, reasonable chunks of unlabeled data can be automatically and accurately labeled by seemingly bad models. Second, a hidden downside of TBAL systems is potentially prohibitive validation data usage. Together, these insights describe the promise and pitfalls of using such systems. We validate our theoretical guarantees with extensive experiments on synthetic and real datasets.

Miscellaneous Aspects of Machine Learning/Causality

Moritz Willig, Matej Zečević, Devendra Dhami, Kristian Kersting

Structural causal models (SCMs) are a powerful tool for understanding the complex causal relationships that underlie many real-world systems. As these systems grow in size, the number of variables and complexity of interactions between them does, too. Thus, becoming convoluted and difficult to analyze. This is particularly true in the context of machine learning and artificial intelligence, where an ever increasing amount of data demands for new methods to simplify and compress large scale SCM. While methods for marginalizing and abstracting SCM already exist today, they may destroy the causality of the marginalized model. To alleviate this, we introduce the concept of consolidating causal mechanisms to transform large-scale SCM while preserving consistent interventional behaviour. We show consolidation is a powerful method for simplifying SCM, discuss reduction of computational complexity and give a perspective on generalizing abilities of consolidated SCM.

Miscellaneous Aspects of Machine Learning/Causality

Lingjing Kong, Biwei Huang, Feng Xie, Eric Xing, Yuejie Chi, Kun Zhang

Identifying latent variables and causal structures from observational data is essential to many real-world applications involving biological data, medical data, and unstructured data such as images and languages. However, this task can be highly challenging, especially when observed variables are generated by causally related latent variables and the relationships are nonlinear. In this work, we investigate the identification problem for nonlinear latent hierarchical causal models in which observed variables are generated by a set of causally related latent variables, and some latent variables may not have observed children. We show that the identifiability of causal structures and latent variables (up to invertible transformations) can be achieved under mild assumptions: on causal structures, we allow for multiple paths between any pair of variables in the graph, which relaxes latent tree assumptions in prior work; on structural functions, we permit general nonlinearity and multi-dimensional continuous variables, alleviating existing work's parametric assumptions. Specifically, we first develop an identification criterion in the form of novel identifiability guarantees for an elementary latent variable model. Leveraging this criterion, we show that both causal structures and latent variables of the hierarchical model can be identified asymptotically by explicitly constructing an estimation procedure. To the best of our knowledge, our work is the first to establish identifiability guarantees for both causal structures and latent variables in nonlinear latent hierarchical models.

Miscellaneous Aspects of Machine Learning/Causality

Stratis Tsirtsis, Manuel Rodriguez

Whenever a clinician reflects on the efficacy of a sequence of treatment decisions for a patient, they may try to identify critical time steps where, had they made different decisions, the patient's health would have improved. While recent methods at the intersection of causal inference and reinforcement learning promise to aid human experts, as the clinician above, to *retrospectively* analyze sequential decision making processes, they have focused on environments with finitely many discrete states. However, in many practical applications, the state of the environment is inherently continuous in nature. In this paper, we aim to fill this gap. We start by formally characterizing a sequence of discrete actions and continuous states using finite horizon Markov decision processes and a broad class of bijective structural causal models. Building upon this characterization, we formalize the problem of finding counterfactually optimal action sequences and show that, in general, we cannot expect to solve it in polynomial time. Then, we develop a search method based on the A* algorithm that, under a natural form of Lipschitz continuity of the environment’s dynamics, is guaranteed to return the optimal solution to the problem. Experiments on real clinical data show that our method is very efficient in practice, and it has the potential to offer interesting insights for sequential decision making tasks.

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

Veronica Alvarez, Santiago Mazuelas, Jose A. Lozano

For a sequence of classification tasks that arrive over time, it is common that tasks are evolving in the sense that consecutive tasks often have a higher similarity. The incremental learning of a growing sequence of tasks holds promise to enable accurate classification even with few samples per task by leveraging information from all the tasks in the sequence (forward and backward learning). However, existing techniques developed for continual learning and concept drift adaptation are either designed for tasks with time-independent similarities or only aim to learn the last task in the sequence. This paper presents incremental minimax risk classifiers (IMRCs) that effectively exploit forward and backward learning and account for evolving tasks. In addition, we analytically characterize the performance improvement provided by forward and backward learning in terms of the tasks’ expected quadratic change and the number of tasks. The experimental evaluation shows that IMRCs can result in a significant performance improvement, especially for reduced sample sizes.

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

Insu Jeon, Minui Hong, Junhyeog Yun, Gunhee Kim

Federated Learning (FL) aims to train a global inference model from remotely distributed clients, gaining popularity due to its benefit of improving data privacy. However, traditional FL often faces challenges in practical applications, including model overfitting and divergent local models due to limited and non-IID data among clients. To address these issues, we introduce a novel Bayesian meta-learning approach called meta-variational dropout (MetaVD). MetaVD learns to predict client-dependent dropout rates via a shared hypernetwork, enabling effective model personalization of FL algorithms in limited non-IID data settings. We also emphasize the posterior adaptation view of meta-learning and the posterior aggregation view of Bayesian FL via the conditional dropout posterior. We conducted extensive experiments on various sparse and non-IID FL datasets. MetaVD demonstrated excellent classification accuracy and uncertainty calibration performance, especially for out-of-distribution (OOD) clients. MetaVD compresses the local model parameters needed for each client, mitigating model overfitting and reducing communication costs. Code is available at https://github.com/insujeon/MetaVD.

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

Haoran Chen, Xintong Han, Zuxuan Wu, Yu-Gang Jiang

Most existing methods for unsupervised domain adaptation (UDA) rely on a shared network to extract domain-invariant features. However, when facing multiple source domains, optimizing such a network involves updating the parameters of the entire network, making it both computationally expensive and challenging, particularly when coupled with min-max objectives. Inspired by recent advances in prompt learning that adapts high-capacity models for downstream tasks in a computationally economic way, we introduce Multi-Prompt Alignment (MPA), a simple yet efficient framework for multi-source UDA. Given a source and target domain pair, MPA first trains an individual prompt to minimize the domain gap through a contrastive loss. Then, MPA denoises the learned prompts through an auto-encoding process and aligns them by maximizing the agreement of all the reconstructed prompts. Moreover, we show that the resulting subspace acquired from the auto-encoding process can easily generalize to a streamlined set of target domains, making our method more efficient for practical usage. Extensive experiments show that MPA achieves state-of-the-art results on three popular datasets with an impressive average accuracy of 54.1% on DomainNet.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Federico Matteucci, Vadim Arzamasov, Klemens Böhm

Categorical encoders transform categorical features into numerical representations that are indispensable for a wide range of machine learning models.Existing encoder benchmark studies lack generalizability because of their limited choice of (1) encoders, (2) experimental factors, and (3) datasets. Additionally, inconsistencies arise from the adoption of varying aggregation strategies.This paper is the most comprehensive benchmark of categorical encoders to date, including an extensive evaluation of 32 configurations of encoders from diverse families, with 36 combinations of experimental factors, and on 50 datasets.The study shows the profound influence of dataset selection, experimental factors, and aggregation strategies on the benchmark's conclusions~---~aspects disregarded in previous encoder benchmarks.Our code is available at \url{https://github.com/DrCohomology/EncoderBenchmarking}.

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

Binhui Xie, Shuang Li, Qingju Guo, Chi Liu, Xinjing Cheng

Active learning, a label-efficient paradigm, empowers models to interactively query an oracle for labeling new data. In the realm of LiDAR semantic segmentation, the challenges stem from the sheer volume of point clouds, rendering annotation labor-intensive and cost-prohibitive. This paper presents Annotator, a general and efficient active learning baseline, in which a voxel-centric online selection strategy is tailored to efficiently probe and annotate the salient and exemplar voxel girds within each LiDAR scan, even under distribution shift. Concretely, we first execute an in-depth analysis of several common selection strategies such as Random, Entropy, Margin, and then develop voxel confusion degree (VCD) to exploit the local topology relations and structures of point clouds. Annotator excels in diverse settings, with a particular focus on active learning (AL), active source-free domain adaptation (ASFDA), and active domain adaptation (ADA). It consistently delivers exceptional performance across LiDAR semantic segmentation benchmarks, spanning both simulation-to-real and real-to-real scenarios. Surprisingly, Annotator exhibits remarkable efficiency, requiring significantly fewer annotations, e.g., just labeling five voxels per scan in the SynLiDAR → SemanticKITTI task. This results in impressive performance, achieving 87.8% fully-supervised performance under AL, 88.5% under ASFDA, and 94.4% under ADA. We envision that Annotator will offer a simple, general, and efficient solution for label-efficient 3D applications.

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

Aodong Li, Chen Qiu, Marius Kloft, Padhraic Smyth, Maja Rudolph, Stephan Mandt

Anomaly detection (AD) plays a crucial role in many safety-critical application domains. The challenge of adapting an anomaly detector to drift in the normal data distribution, especially when no training data is available for the "new normal," has led to the development of zero-shot AD techniques. In this paper, we propose a simple yet effective method called Adaptive Centered Representations (ACR) for zero-shot batch-level AD. Our approach trains off-the-shelf deep anomaly detectors (such as deep SVDD) to adapt to a set of inter-related training data distributions in combination with batch normalization, enabling automatic zero-shot generalization for unseen AD tasks. This simple recipe, batch normalization plus meta-training, is a highly effective and versatile tool. Our results demonstrate the first zero-shot AD results for tabular data and outperform existing methods in zero-shot anomaly detection and segmentation on image data from specialized domains.

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

Deepali Jain, Krzysztof M Choromanski, Kumar Avinava Dubey, Sumeet Singh, Vikas Sindhwani, Tingnan Zhang, Jie Tan

In this work, we propose a new class of learnable optimizers, called Mnemosyne. It is based on the novel spatio-temporal low-rank implicit attention Transformers that can learn to train entire neural network architectures, including other Transformers, without any task-specific optimizer tuning. We show that Mnemosyne: (a) outperforms popular LSTM optimizers (also with new feature engineering to mitigate catastrophic forgetting of LSTMs), (b) can successfully train Transformers while using simple meta-training strategies that require minimal computational resources, (c) matches accuracy-wise SOTA hand-designed optimizers with carefully tuned hyper-parameters (often producing top performing models). Furthermore, Mnemosyne provides space complexity comparable to that of its hand-designed first-order counterparts, which allows it to scale to training larger sets of parameters. We conduct an extensive empirical evaluation of Mnemosyne on: (a) fine-tuning a wide range of Vision Transformers (ViTs) from medium-size architectures to massive ViT-Hs (36 layers, 16 heads), (b) pre-training BERT models and (c) soft prompt-tuning large 11B+ T5XXL models. We complement our results with a comprehensive theoretical analysis of the compact associative memory used by Mnemosyne which we believe was never done before.

Miscellaneous Aspects of Machine Learning/Everything Else

Robin Sasse, Aniek Eijpe, Jona Ruthardt, Elias Dubbeldam

Scope of Reproducibility — CartoonX [1] is a novel explanation method for image classifiers. In this reproducibility study, we examine the claims of the original authors of CartoonX that it: (i) extracts relevant piece‐wise smooth parts of the image, resulting in explanations which are more straightforward to interpret for humans; (ii) achieves lower distortion in the model output, using fewer coefficients than other state-of‐the‐art methods; (iii) is model‐agnostic. Finally, we examine how to reduce the runtime.Methodology — The original authors’ open‐sourced implementation has been used to examine (i). We implemented the code to examine (ii), as there was no public code available for this. We tested claim (iii) by performing the same experiments with a Vision Transformer instead of a CNN. To reduce the runtime, we extended the existing implementation with multiple enhanced initialization techniques. All experiments took approximately 38.4 hours on a single NVIDIA Titan RTX.Results — Our results support the claims made by the original authors. (i) We observe that CartoonX produces piece‐wise smooth explanations. Most of the explanations give valuable insights. (ii) Most experiments, that show how CartoonX achieves lower distortion outputs compared to other methods, have been reproduced. In the cases where exact reproducibility has not been achieved, claim (ii) of the author still holds. (iii) The model‐agnosticism claim still holds as the overall quality of the ViT‐based explanations almost matches that of the CNN‐based explanations. Finally, simple heuristical initializations did not improve the runtime.What was easy — The mathematical background and intuition of CartoonX were clearly explained by the original authors. Moreover, the original author’s code was well structured and documented, which made it straightforward to run and extend.What was difficult — Some hyperparameter settings and implementation details needed to reproduce the experiments were not clear or transparent from the original paper or code. This made it difficult to implement and reproduce these experiments.Communication with original authors — We have been in brief communication with the original authors. They were able to address most of our points, providing us with some additional clarifications about the exact implementation and hyperparameter settings.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Aniket Rege, Aditya Kusupati, Sharan Ranjit S, Alan Fan, Qingqing Cao, Sham Kakade, Prateek Jain, Ali Farhadi

Web-scale search systems learn an encoder to embed a given query which is then hooked into an approximate nearest neighbor search (ANNS) pipeline to retrieve similar data points. To accurately capture tail queries and data points, learned representations typically are _rigid, high-dimensional_ vectors that are generally used as-is in the entire ANNS pipeline and can lead to computationally expensive retrieval. In this paper, we argue that instead of rigid representations, different stages of ANNS can leverage _adaptive representations_ of varying capacities to achieve significantly better accuracy-compute trade-offs, i.e., stages of ANNS that can get away with more approximate computation should use a lower-capacity representation of the same data point. To this end, we introduce AdANNS, a novel ANNS design framework that explicitly leverages the flexibility of Matryoshka Representations. We demonstrate state-of-the-art accuracy-compute trade-offs using novel AdANNS-based key ANNS building blocks like search data structures (AdANNS-IVF) and quantization (AdANNS-OPQ). For example on ImageNet retrieval, AdANNS-IVF is up to $\mathbf{1.5}$% more accurate than the rigid representations-based IVF at the same compute budget; and matches accuracy while being up to $\mathbf{90}\times$ faster in _wall-clock time_. For Natural Questions, $32$-byte AdANNS-OPQ matches the accuracy of the $64$-byte OPQ baseline constructed using rigid representations -- _same accuracy at half the cost!_ We further show that the gains from AdANNS translate to modern-day composite ANNS indices that combine search structures and quantization. Finally, we demonstrate that AdANNS can enable inference-time adaptivity for compute-aware search on ANNS indices built non-adaptively on matryoshka representations. Code is open-sourced at https://github.com/RAIVNLab/AdANNS.

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

Soochan Lee, Jaehyeon Son, Gunhee Kim

In this work, we aim to establish a strong connection between two significant bodies of machine learning research: continual learning and sequence modeling.That is, we propose to formulate continual learning as a sequence modeling problem, allowing advanced sequence models to be utilized for continual learning.Under this formulation, the continual learning process becomes the forward pass of a sequence model.By adopting the meta-continual learning (MCL) framework, we can train the sequence model at the meta-level, on multiple continual learning episodes.As a specific example of our new formulation, we demonstrate the application of Transformers and their efficient variants as MCL methods.Our experiments on seven benchmarks, covering both classification and regression, show that sequence models can be an attractive solution for general MCL.

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

Guy Hacohen, Daphna Weinshall

In the domain of Active Learning (AL), a learner actively selects which unlabeled examples to seek labels from an oracle, while operating within predefined budget constraints. Importantly, it has been recently shown that distinct query strategies are better suited for different conditions and budgetary constraints. In practice, the determination of the most appropriate AL strategy for a given situation remains an open problem. To tackle this challenge, we propose a practical derivative-based method that dynamically identifies the best strategy for a given budget. Intuitive motivation for our approach is provided by the theoretical analysis of a simplified scenario. We then introduce a method to dynamically select an AL strategy, which takes into account the unique characteristics of the problem and the available budget. Empirical results showcase the effectiveness of our approach across diverse budgets and computer vision tasks.

Miscellaneous Aspects of Machine Learning/Representation Learning

Kaiwen Zha, Peng Cao, Jeany Son, Yuzhe Yang, Dina Katabi

Deep regression models typically learn in an end-to-end fashion without explicitly emphasizing a regression-aware representation. Consequently, the learned representations exhibit fragmentation and fail to capture the continuous nature of sample orders, inducing suboptimal results across a wide range of regression tasks. To fill the gap, we propose Rank-N-Contrast (RNC), a framework that learns continuous representations for regression by contrasting samples against each other based on their rankings in the target space. We demonstrate, theoretically and empirically, that RNC guarantees the desired order of learned representations in accordance with the target orders, enjoying not only better performance but also significantly improved robustness, efficiency, and generalization. Extensive experiments using five real-world regression datasets that span computer vision, human-computer interaction, and healthcare verify that RNC achieves state-of-the-art performance, highlighting its intriguing properties including better data efficiency, robustness to spurious targets and data corruptions, and generalization to distribution shifts.