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Miscellaneous Aspects of Machine Learning · Causality

Ziqi Xu, Debo Cheng, Jiuyong Li, Jixue Liu, Lin Liu, Kui Yu

An essential and challenging problem in causal inference is causal effect estimation from observational data. The problem becomes more difficult with the presence of unobserved confounding variables. The front-door adjustment is an approach for dealing with unobserved confounding variables. However, the restriction for the standard front-door adjustment is difficult to satisfy in practice. In this paper, we relax some of the restrictions by proposing the concept of conditional front-door (CFD) adjustment and develop the theorem that guarantees the causal effect identifiability of CFD adjustment. By leveraging the ability of deep generative models, we propose CFDiVAE to learn the representation of the CFD adjustment variable directly from data with the identifiable Variational AutoEncoder and formally prove the model identifiability. Extensive experiments on synthetic datasets validate the effectiveness of CFDiVAE and its superiority over existing methods. The experiments also show that the performance of CFDiVAE is less sensitive to the causal strength of unobserved confounding variables. We further apply CFDiVAE to a real-world dataset to demonstrate its potential application.

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

Anke Tang, Li Shen, Yong Luo, Yibing Zhan, Han Hu, Bo Du, Yixin Chen, Dacheng Tao

Large pre-trained models have enabled significant advances in machine learning and served as foundation components.Model fusion methods, such as task arithmetic, have been proven to be powerful and scalable to incorporate fine-tuned weights from different tasks into a multi-task model. However, efficiently fine-tuning large pre-trained models on multiple downstream tasks remains challenging, leading to inefficient multi-task model fusion.In this work, we propose a novel method to improve multi-task fusion for parameter-efficient fine-tuning techniques like LoRA fine-tuning.Specifically, our approach partially linearizes only the adapter modules and applies task arithmetic over the linearized adapters.This allows us to leverage the the advantages of model fusion over linearized fine-tuning, while still performing fine-tuning and inference efficiently.We demonstrate that our partial linearization technique enables a more effective fusion of multiple tasks into a single model, outperforming standard adapter tuning and task arithmetic alone.Experimental results demonstrate the capabilities of our proposed partial linearization technique to effectively construct unified multi-task models via the fusion of fine-tuned task vectors. We evaluate performance over an increasing number of tasks and find that our approach outperforms standard parameter-efficient fine-tuning techniques. The results highlight the benefits of partial linearization for scalable and efficient multi-task model fusion.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Dante Everaert, Christopher Potts

It is often advantageous to train models on a subset of the available train examples, because the examples are of variable quality or because one would like to train with fewer examples, without sacrificing performance. We present Gradient Information Optimization (GIO), a scalable, task-agnostic approach to this data selection problem that requires only a small set of (unlabeled) examples representing a target distribution. GIO begins from a natural, information-theoretic objective that is intractable in practice. Our contribution is in showing that it can be made highly scalable through a simple relaxation of the objective and a highly efficient implementation. In experiments with machine translation, spelling correction, and image recognition, we show that GIO delivers outstanding results with very small train sets. These findings are robust to different representation models and hyperparameters for GIO itself. GIO is task- and domain-agnostic and can be applied out-of-the-box to new datasets and domains. We open source a pip-installable implementation of the algorithm as "pip install grad-info-opt".

Miscellaneous Aspects of Machine Learning · Representation Learning

Jungtaek Kim, Jeongbeen Yoon, Minsu Cho

Sorting is a fundamental operation of all computer systems, having been a long-standing significant research topic. Beyond the problem formulation of traditional sorting algorithms, we consider sorting problems for more abstract yet expressive inputs, e.g., multi-digit images and image fragments, through a neural sorting network. To learn a mapping from a high-dimensional input to an ordinal variable, the differentiability of sorting networks needs to be guaranteed. In this paper we define a softening error by a differentiable swap function, and develop an error-free swap function that holds a non-decreasing condition and differentiability. Furthermore, a permutation-equivariant Transformer network with multi-head attention is adopted to capture dependency between given inputs and also leverage its model capacity with self-attention. Experiments on diverse sorting benchmarks show that our methods perform better than or comparable to baseline methods.

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

Hwanwoo Kim, Xin Zhang, Jiwei Zhao, Qinglong Tian

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable $y$ (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features $\boldsymbol{x}$ given $y$ remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an *infinite dimensional* target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named *ReTaSA* to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Enyi Jiang, Yibo Jacky Zhang, Sanmi Koyejo

Federated Domain Adaptation (FDA) describes the federated learning (FL) setting where source clients and a server work collaboratively to improve the performance of a target client where limited data is available. The domain shift between the source and target domains, coupled with limited data of the target client, makes FDA a challenging problem, e.g., common techniques such as federated averaging and fine-tuning fail due to domain shift and data scarcity. To theoretically understand the problem, we introduce new metrics that characterize the FDA setting and a theoretical framework with novel theorems for analyzing the performance of server aggregation rules. Further, we propose a novel lightweight aggregation rule, Federated Gradient Projection ($\texttt{FedGP}$), which significantly improves the target performance with domain shift and data scarcity. Moreover, our theory suggests an $\textit{auto-weighting scheme}$ that finds the optimal combinations of the source and target gradients. This scheme improves both $\texttt{FedGP}$ and a simpler heuristic aggregation rule. Extensive experiments verify the theoretical insights and illustrate the effectiveness of the proposed methods in practice.

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

Sebastian Pineda Arango, Fabio Ferreira, Arlind Kadra, Frank Hutter, Josif Grabocka

With the ever-increasing number of pretrained models, machine learning practitioners are continuously faced with which pretrained model to use, and how to finetune it for a new dataset. In this paper, we propose a methodology that jointly searches for the optimal pretrained model and the hyperparameters for finetuning it. Our method transfers knowledge about the performance of many pretrained models with multiple hyperparameter configurations on a series of datasets. To this aim, we evaluated over 20k hyperparameter configurations for finetuning 24 pretrained image classification models on 87 datasets to generate a large-scale meta-dataset. We meta-learn a gray-box performance predictor on the learning curves of this meta-dataset and use it for fast hyperparameter optimization on new datasets. We empirically demonstrate that our resulting approach can quickly select an accurate pretrained model for a new dataset together with its optimal hyperparameters.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Mucong Ding, Bang An, Yuancheng Xu, Anirudh Satheesh, Furong Huang

Data augmentation, a cornerstone technique in deep learning, is crucial in enhancing model performance, especially with scarce labeled data. While traditional techniques are effective, their reliance on hand-crafted methods limits their applicability across diverse data types and tasks. Although modern learnable augmentation methods offer increased adaptability, they are computationally expensive and challenging to incorporate within prevalent augmentation workflows. In this work, we present a novel, efficient method for data augmentation, effectively bridging the gap between existing augmentation strategies and emerging datasets and learning tasks. We introduce SAFLEX (Self-Adaptive Augmentation via Feature Label EXtrapolation), which learns the sample weights and soft labels of augmented samples provided by any given upstream augmentation pipeline, using a specifically designed efficient bilevel optimization algorithm. Remarkably, SAFLEX effectively reduces the noise and label errors of the upstream augmentation pipeline with a marginal computational cost. As a versatile module, SAFLEX excels across diverse datasets, including natural and medical images and tabular data, showcasing its prowess in few-shot learning and out-of-distribution generalization. SAFLEX seamlessly integrates with common augmentation strategies like RandAug, CutMix, and those from large pre-trained generative models like stable diffusion and is also compatible with frameworks such as CLIP's fine-tuning. Our findings highlight the potential to adapt existing augmentation pipelines for new data types and tasks, signaling a move towards more adaptable and resilient training frameworks.

Miscellaneous Aspects of Machine Learning

Bojan Karlaš, David Dao, Matteo Interlandi, Sebastian Schelter, Wentao Wu, Ce Zhang

When a machine learning (ML) model exhibits poor quality (e.g., poor accuracy or fairness), the problem can often be traced back to errors in the training data. Being able to discover the data examples that are the most likely culprits is a fundamental concern that has received a lot of attention recently. One prominent way to measure "data importance" with respect to model quality is the Shapley value. Unfortunately, existing methods only focus on the ML model in isolation, without considering the broader ML pipeline for data preparation and feature extraction, which appears in the majority of real-world ML code. This presents a major limitation to applying existing methods in practical settings. In this paper, we propose Datascope, a method for efficiently computing Shapley-based data importance over ML pipelines. We introduce several approximations that lead to dramatic improvements in terms of computational speed. Finally, our experimental evaluation demonstrates that our methods are capable of data error discovery that is as effective as existing Monte Carlo baselines, and in some cases even outperform them. We release our code as an open-source data debugging library available at https://github.com/easeml/datascope.

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

Donggyu Lee, Sangwon Jung, Taesup Moon

Most continual learning (CL) algorithms have focused on tackling the stability-plasticity dilemma, that is, the challenge of preventing the forgetting of past tasks while learning new ones. However, we argue that they have overlooked the impact of knowledge transfer when the training dataset of a certain task is biased — namely, when the dataset contains some spurious correlations that can overly influence the prediction rule of a model. In that case, how would the dataset bias of a certain task affect the prediction rules of a CL model for future or past tasks? In this work, we carefully design systematic experiments using three benchmark datasets to answer the question from our empirical findings. Specifically, we first show through two-task CL experiments that standard CL methods, which are oblivious of the dataset bias, can transfer bias from one task to another, both forward and backward. Moreover, we find out this transfer is exacerbated depending on whether the CL methods focus on stability or plasticity. We then present that the bias is also transferred and even accumulates in longer task sequences. Finally, we offer a standardized experimental setup and a simple, yet strong plug-in baseline method, dubbed as group-class Balanced Greedy Sampling (BGS), which are utilized for the development of more advanced bias-aware CL methods.

Miscellaneous Aspects of Machine Learning · Representation Learning

Tao Yu, Toni Liu, Albert Tseng, Christopher De Sa

Hyperbolic space has proven to be well-suited for capturing hierarchical relations in data, such as trees and directed acyclic graphs. Prior work introduced the concept of entailment cones, which uses partial orders defined by nested cones in the Poincar\'e ball to model hierarchies. Here, we introduce the ``shadow cones" framework, a physics-inspired entailment cone construction. Specifically, we model partial orders as subset relations between shadows formed by a light source and opaque objects in hyperbolic space. The shadow cones framework generalizes entailment cones to a broad class of formulations and hyperbolic space models beyond the Poincar\'e ball. This results in clear advantages over existing constructions: for example, shadow cones possess better optimization properties over constructions limited to the Poincar\'e ball. Our experiments on datasets of various sizes and hierarchical structures show that shadow cones consistently and significantly outperform existing entailment cone constructions. These results indicate that shadow cones are an effective way to model partial orders in hyperbolic space, offering physically intuitive and novel insights about the nature of such structures.

Miscellaneous Aspects of Machine Learning · Representation Learning

Zhongqi Yue, Jiankun Wang, Qianru Sun, Lei Ji, Eric Chang, Hanwang Zhang

Representation learning is all about discovering the hidden modular attributes that generate the data faithfully. We explore the potential of Denoising Diffusion Probabilistic Model (DM) in unsupervised learning of the modular attributes. We build a theoretical framework that connects the diffusion time-steps and the hidden attributes, which serves as an effective inductive bias for unsupervised learning. Specifically, the forward diffusion process incrementally adds Gaussian noise to samples at each time-step, which essentially collapses different samples into similar ones by losing attributes, e.g., fine-grained attributes such as texture are lost with less noise added (i.e., early time-steps), while coarse-grained ones such as shape are lost by adding more noise (i.e., late time-steps). To disentangle the modular attributes, at each time-step t, we learn a t-specific feature to compensate for the newly lost attribute, and the set of all {1,...,t}-specific features, corresponding to the cumulative set of lost attributes, are trained to make up for the reconstruction error of a pre-trained DM at time-step t. On CelebA, FFHQ, and Bedroom datasets, the learned feature significantly improves attribute classification and enables faithful counterfactual generation, e.g., interpolating only one specified attribute between two images, validating the disentanglement quality. Codes are in https://github.com/yue-zhongqi/diti.

Miscellaneous Aspects of Machine Learning · Causality

Krzysztof Kacprzyk, Samuel Holt, Jeroen Berrevoets, Zhaozhi Qian, Mihaela van der Schaar

Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result—a neural-network-based inference machine—remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.

Miscellaneous Aspects of Machine Learning · Causality

YUXIAO CHENG, Ziqian Wang, Tingxiong Xiao, Qin Zhong, Jinli Suo, Kunlun He

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Anshuman Chhabra, Peizhao Li, Prasant Mohapatra, Hongfu Liu

Classification models are ubiquitously deployed in society and necessitate high utility, fairness, and robustness performance. Current research efforts mainly focus on improving model architectures and learning algorithms on fixed datasets to achieve this goal. In contrast, in this paper, we address an orthogonal yet crucial problem: given a fixed convex learning model (or a convex surrogate for a non-convex model) and a function of interest, we assess what data benefits the model by interpreting the feature space, and then aim to improve performance as measured by this function. To this end, we propose the use of influence estimation models for interpreting the classifier's performance from the perspective of the data feature space. Additionally, we propose data selection approaches based on influence that enhance model utility, fairness, and robustness. Through extensive experiments on synthetic and real-world datasets, we validate and demonstrate the effectiveness of our approaches not only for conventional classification scenarios, but also under more challenging scenarios such as distribution shifts, fairness poisoning attacks, utility evasion attacks, online learning, and active learning.

Miscellaneous Aspects of Machine Learning · Representation Learning

Yanpeng Zhao, Siyu Gao, Yunbo Wang, Xiaokang Yang

Unsupervised learning of object-centric representations in dynamic visual scenes is challenging. Unlike most previous approaches that learn to decompose 2D images, we present DynaVol, a 3D scene generative model that unifies geometric structures and object-centric learning in a differentiable volume rendering framework. The key idea is to perform object-centric voxelization to capture the 3D nature of the scene, which infers the probability distribution over objects at individual spatial locations. These voxel features evolve over time through a canonical-space deformation function, forming the basis for global representation learning via slot attention. The voxel features and global features are complementary and are both leveraged by a compositional NeRF decoder for volume rendering. DynaVol remarkably outperforms existing approaches for unsupervised dynamic scene decomposition. Once trained, the explicitly meaningful voxel features enable additional capabilities that 2D scene decomposition methods cannot achieve: it is possible to freely edit the geometric shapes or manipulate the motion trajectories of the objects.

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

Zhenyi Wang, Yan Li, Li Shen, Heng Huang

Continual Learning (CL) focuses on learning from dynamic and changing data distributions while retaining previously acquired knowledge. Various methods have been developed to address the challenge of catastrophic forgetting, including regularization-based, Bayesian-based, and memory-replay-based techniques. However, these methods lack a unified framework and common terminology for describing their approaches. This research aims to bridge this gap by introducing a comprehensive and overarching framework that encompasses and reconciles these existing methodologies. Notably, this new framework is capable of encompassing established CL approaches as special instances within a unified and general optimization objective.An intriguing finding is that despite their diverse origins, these methods share common mathematical structures. This observation highlights the compatibility of these seemingly distinct techniques, revealing their interconnectedness through a shared underlying optimization objective. Moreover, the proposed general framework introduces an innovative concept called *refresh learning*, specifically designed to enhance the CL performance. This novel approach draws inspiration from neuroscience, where the human brain often sheds outdated information to improve the retention of crucial knowledge and facilitate the acquisition of new information. In essence, *refresh learning* operates by initially unlearning current data and subsequently relearning it. It serves as a versatile plug-in that seamlessly integrates with existing CL methods, offering an adaptable and effective enhancement to the learning process. Extensive experiments on CL benchmarks and theoretical analysis demonstrate the effectiveness of the proposed *refresh learning*.

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

Panagiotis Eustratiadis, Łukasz Dudziak, Da Li, Timothy Hospedales

In few-shot recognition, a classifier that has been trained on one set of classes is required to rapidly adapt and generalize to a disjoint, novel set of classes. To that end, recent studies have shown the efficacy of fine-tuning with carefully-crafted adaptation architectures. However this raises the question of: How can one design the optimal adaptation strategy? In this paper, we study this question through the lens of neural architecture search (NAS). Given a pre-trained neural network, our algorithm discovers the optimal arrangement of adapters, which layers to keep frozen, and which to fine-tune. We demonstrate the generality of our NAS method by applying it to both residual networks and vision transformers and report state-of-the-art performance on Meta-Dataset and Meta-Album.

Miscellaneous Aspects of Machine Learning · Representation Learning

Noa Rubin, Inbar Seroussi, Zohar Ringel

A key property of deep neural networks (DNNs) is their ability to learn new features during training. This intriguing aspect of deep learning stands out most clearly in recently reported Grokking phenomena. While mainly reflected as a sudden increase in test accuracy, Grokking is also believed to be a beyond lazy-learning/Gaussian Process (GP) phenomenon involving feature learning. Here we apply a recent development in the theory of feature learning, the adaptive kernel approach, to two teacher-student models with cubic-polynomial and modular addition teachers. We provide analytical predictions on feature learning and Grokking properties of these models and demonstrate a mapping between Grokking and the theory of phase transitions. We show that after Grokking, the state of the DNN is analogous to the mixed phase following a first-order phase transition. In this mixed phase, the DNN generates useful internal representations of the teacher that are sharply distinct from those before the transition.