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

Yavuz Faruk Bakman, Duygu Nur Yaldiz, Yahya Ezzeldin, Salman Avestimehr

Federated Learning (FL) has gained significant attraction due to its ability to enable privacy-preserving training over decentralized data. Current literature in FL mostly focuses on single-task learning. However, over time, new tasks may appear in the clients and the global model should learn these tasks without forgetting previous tasks. This real-world scenario is known as Continual Federated Learning (CFL). The main challenge of CFL is \textit{Global Catastrophic Forgetting}, which corresponds to the fact that when the global model is trained on new tasks, its performance on old tasks decreases. There have been a few recent works on CFL to propose methods that aim to address the global catastrophic forgetting problem. However, these works either have unrealistic assumptions on the availability of past data samples or violate the privacy principles of FL. We propose a novel method, Federated Orthogonal Training (FOT), to overcome these drawbacks and address the global catastrophic forgetting in CFL. Our algorithm extracts the global input subspace of each layer for old tasks and modifies the aggregated updates of new tasks such that they are orthogonal to the global principal subspace of old tasks for each layer. This decreases the interference between tasks, which is the main cause for forgetting. Our method is almost computation-free on the client side and has negligible communication cost. We empirically show that FOT outperforms state-of-the-art continual learning methods in the CFL setting, achieving an average accuracy gain of up to 15% with 27% lower forgetting while only incurring a minimal computation and communication cost. Code can be found [here ](https://github.com/duygunuryldz/Federated_Orthogonal_Training)

Miscellaneous Aspects of Machine Learning · Everything Else

Xun Jiang, zhuomin chai, Yuxiang Zhao, Yibo Lin, Runsheng Wang, Ru Huang

Integrated circuits or chips are key to enable computing in modern industry. Designing a chip relies on human experts to produce chip data through professional electronic design automation (EDA) software and complicated procedures. Nowadays, prompted by the wide variety of machine learning (ML) datasets, we have witnessed great advancement of ML algorithms in computer vision, natural language processing, and other fields. However, in chip design, high human workload and data sensitivity cause the lack of public datasets, which hinders the progress of ML development for EDA. To this end, we introduce an advanced large-scale dataset, CircuitNet 2.0, which targets promoting ML innovations in a realistic chip design environment. In order to approach the realistic chip design space, we collect more than 10,000 samples with a variety of chip designs (e.g., CPU, GPU, and AI Chip). All the designs are conducted through complete commercial design flows in a widely-used technology node, 14nm FinFET. We collect comprehensive data, including routability, timing, and power, from the design flow to support versatile ML tasks in EDA. Besides, we also introduce some realistic ML tasks with CircuitNet 2.0 to verify the potential for boosting innovations.

Miscellaneous Aspects of Machine Learning · Causality

Ruoqi Yu, Shulei Wang

In observational studies, balancing covariates in different treatment groups is essential to estimate treatment effects. One of the most commonly used methods for such purposes is weighting. The performance of this class of methods usually depends on strong regularity conditions for the underlying model, which might not hold in practice. In this paper, we investigate weighting methods from a functional estimation perspective and argue that the weights needed for covariate balancing could differ from those needed for treatment effects estimation under low regularity conditions. Motivated by this observation, we introduce a new framework of weighting that directly targets the treatment effects estimation. Unlike existing methods, the resulting estimator for a treatment effect under this new framework is a simple kernel-based $U$-statistic after applying a data-driven transformation to the observed covariates. We characterize the theoretical properties of the new estimators of treatment effects under a nonparametric setting and show that they are able to work robustly under low regularity conditions. The new framework is also applied to several numerical examples to demonstrate its practical merits.

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

Artur Back de Luca, Kimon Fountoulakis, Shenghao Yang

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13\%.

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

Shrinivas Ramasubramanian, Harsh Rangwani, Sho Takemori, Kunal Samanta, Yuhei Umeda, Venkatesh Babu Radhakrishnan

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

Miscellaneous Aspects of Machine Learning · Representation Learning

Ziqi Pang, Ziyang Xie, Yunze Man, Yu-Xiong Wang

This paper reveals that large language models (LLMs), despite being trained solely on text data, are surprisingly}strong encoders for purely visual tasks in the absence of language. Even more intriguingly, this can be achieved by a simple yet previously overlooked strategy -- employing a frozen transformer block from pre-trained LLMs as a constituent encoder layer to directly process visual tokens. Our work pushes the boundaries of leveraging LLMs for computer vision tasks, significantly departing from conventional practices that typically necessitate a multi-modal vision-language setup with associated language prompts, inputs, or outputs. We demonstrate that our approach consistently enhances performance across a diverse range of tasks} encompassing pure 2D or 3D visual recognition tasks (e.g., image and point cloud classification), temporal modeling tasks (e.g., action recognition), non-semantic tasks (e.g., motion forecasting), and multi-modal tasks (e.g., 2D/3D visual question answering and image-text retrieval). Such improvements are a general phenomenon, applicable to various types of LLMs (e.g., LLaMA and OPT) and different LLM transformer blocks. We additionally propose the information filtering hypothesis to explain the effectiveness of pre-trained LLMs in visual encoding -- the pre-trained LLM transformer blocks discern informative visual tokens and further amplify their effect. This hypothesis is empirically supported by the observation that the feature activation, after training with LLM transformer blocks, exhibits a stronger focus on relevant regions. We hope that our work inspires new perspectives on utilizing LLMs and deepening our understanding of their underlying mechanisms.

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

Daniel Goldfarb, Itay Evron, Nir Weinberger, Daniel Soudry, Paul Hand

In continual learning, catastrophic forgetting is affected by multiple aspects of the tasks. Previous works have analyzed separately how forgetting is affected by either task similarity or overparameterization. In contrast, our paper examines how task similarity and overparameterization jointly affect forgetting in an analyzable model. Specifically, we focus on two-task continual linear regression, where the second task is a random orthogonal transformation of an arbitrary first task (an abstraction of random permutation tasks). We derive an exact analytical expression for the expected forgetting — and uncover a nuanced pattern. In highly overparameterized models, intermediate task similarity causes the most forgetting. However, near the interpolation threshold, forgetting decreases monotonically with the expected task similarity. We validate our findings with linear regression on synthetic data, and with neural networks on established permutation task benchmarks.

Miscellaneous Aspects of Machine Learning · Causality

Zeyu Zhou, Ruqi Bai, Sean Kulinski, Murat Kocaoglu, David Inouye

Answering counterfactual queries has important applications such as explainability, robustness, and fairness but is challenging when the causal variables are unobserved and the observations are non-linear mixtures of these latent variables, such as pixels in images.One approach is to recover the latent Structural Causal Model (SCM), which may be infeasible in practice due to requiring strong assumptions, e.g., linearity of the causal mechanisms or perfect atomic interventions.Meanwhile, more practical ML-based approaches using naive domain translation models to generate counterfactual samples lack theoretical grounding and may construct invalid counterfactuals.In this work, we strive to strike a balance between practicality and theoretical guarantees by analyzing a specific type of causal query called *domain counterfactuals*, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment).We show that recovering the latent SCM is unnecessary for estimating domain counterfactuals, thereby sidestepping some of the theoretic challenges.By assuming invertibility and sparsity of intervention, we prove domain counterfactual estimation error can be bounded by a data fit term and intervention sparsity term.Building upon our theoretical results, we develop a theoretically grounded practical algorithm that simplifies the modeling process to generative model estimation under autoregressive and shared parameter constraints that enforce intervention sparsity.Finally, we show an improvement in counterfactual estimation over baseline methods through extensive simulated and image-based experiments.

Miscellaneous Aspects of Machine Learning · Representation Learning

Junyan Cheng, Peter Chin

This paper introduces a novel Transitional Dictionary Learning (TDL) framework that can implicitly learn symbolic knowledge, such as visual parts and relations, by reconstructing the input as a combination of parts with implicit relations. We propose a game-theoretic diffusion model to decompose the input into visual parts using the dictionaries learned by the Expectation Maximization (EM) algorithm, implemented as the online prototype clustering, based on the decomposition results. Additionally, two metrics, clustering information gain, and heuristic shape score are proposed to evaluate the model. Experiments are conducted on three abstract compositional visual object datasets, which require the model to utilize the compositionality of data instead of simply exploiting visual features. Then, three tasks on symbol grounding to predefined classes of parts and relations, as well as transfer learning to unseen classes, followed by a human evaluation, were carried out on these datasets. The results show that the proposed method discovers compositional patterns, which significantly outperforms the state-of-the-art unsupervised part segmentation methods that rely on visual features from pre-trained backbones. Furthermore, the proposed metrics are consistent with human evaluations.

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

Enneng Yang, Zhenyi Wang, Li Shen, Shiwei Liu, Guibing Guo, Xingwei Wang, Dacheng Tao

Multi-task learning (MTL) aims to empower a model to tackle multiple tasks simultaneously. A recent development known as task arithmetic has revealed that several models, each fine-tuned for distinct tasks, can be directly merged into a single model to execute MTL without necessitating a retraining process using the initial training data. Nevertheless, this direct addition of models often leads to a significant deterioration in the overall performance of the merged model. This decline occurs due to potential conflicts and intricate correlations among the multiple tasks. Consequently, the challenge emerges of how to merge pre-trained models more effectively without using their original training data. This paper introduces an innovative technique called Adaptive Model Merging (AdaMerging). This approach aims to autonomously learn the coefficients for model merging, either in a task-wise or layer-wise manner, without relying on the original training data. Specifically, our AdaMerging method operates as an automatic, unsupervised task arithmetic scheme. It leverages entropy minimization on unlabeled test samples from the multi-task setup as a surrogate objective function to iteratively refine the merging coefficients of the multiple models. Our experimental findings across eight tasks demonstrate the efficacy of the AdaMerging scheme we put forth. Compared to the current state-of-the-art (SOTA) task arithmetic merging scheme, AdaMerging showcases a remarkable 11\% improvement in performance. Notably, AdaMerging also exhibits superior generalization capabilities when applied to unseen downstream tasks. Furthermore, it displays a significantly enhanced robustness to data distribution shifts that may occur during the testing phase.

Miscellaneous Aspects of Machine Learning · Causality

Yuhang Liu, Zhen Zhang, Dong Gong, Mingming Gong, Biwei Huang, Anton Hengel, Kun Zhang, Qinfeng Shi

Causal representation learning aims to unveil latent high-level causal representations from observed low-level data. One of its primary tasks is to provide reliable assurance of identifying these latent causal models, known as \textit{identifiability}. A recent breakthrough explores identifiability by leveraging the change of causal influences among latent causal variables across multiple environments \citep{liu2022identifying}. However, this progress rests on the assumption that the causal relationships among latent causal variables adhere strictly to linear Gaussian models. In this paper, we extend the scope of latent causal models to involve nonlinear causal relationships, represented by polynomial models, and general noise distributions conforming to the exponential family. Additionally, we investigate the necessity of imposing changes on all causal parameters and present partial identifiability results when part of them remains unchanged. Further, we propose a novel empirical estimation method, grounded in our theoretical finding, that enables learning consistent latent causal representations. Our experimental results, obtained from both synthetic and real-world data, validate our theoretical contributions concerning identifiability and consistency.

Miscellaneous Aspects of Machine Learning · Causality

Xiuchuan Li, Kun Zhang, Tongliang Liu

Traditional causal discovery approaches typically assume the absence of latent variables, a simplification that often does not align with real-world situations. Recently, there has been a surge of causal discovery methods that explicitly consider latent variables. While some works aim to reveal causal relations between observed variables in the presence of latent variables, others seek to identify latent variables and recover the causal structure over them. The latter typically entail strong distributional and graphical assumptions, such as the non-Gaussianity, purity, and two-pure-children assumption. In this paper, we endeavor to recover the whole causal structure involving both latent and observed variables under milder assumptions. We formulate two cases, one allows entirely arbitrary distribution and requires only one pure child per latent variable, and the other requires no pure child and imposes the non-Gaussianity requirement on only a subset of variables, and they both avoid the purity assumption. We prove the identifiability of linear latent variable models in both cases, and our constructive proof leads to theoretically sound and computationally efficient algorithms.

Miscellaneous Aspects of Machine Learning · Causality

Divyat Mahajan, Ioannis Mitliagkas, Brady Neal, Vasilis Syrgkanis

We study the problem of model selection in causal inference, specifically for conditional average treatment effect (CATE) estimation. Unlike machine learning, there is no perfect analogue of cross-validation for model selection as we do not observe the counterfactual potential outcomes. Towards this, a variety of surrogate metrics have been proposed for CATE model selection that use only observed data. However, we do not have a good understanding regarding their effectiveness due to limited comparisons in prior studies. We conduct an extensive empirical analysis to benchmark the surrogate model selection metrics introduced in the literature, as well as the novel ones introduced in this work. We ensure a fair comparison by tuning the hyperparameters associated with these metrics via AutoML, and provide more detailed trends by incorporating realistic datasets via generative modeling. Our analysis suggests novel model selection strategies based on careful hyperparameter selection of CATE estimators and causal ensembling.

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

Shreyas Havaldar, Navodita Sharma, Shubhi Sareen, Karthikeyan Shanmugam, Aravindan Raghuveer

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (upto **15%**) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

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

David Holzmüller, Viktor Zaverkin, Johannes Kästner, Ingo Steinwart

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

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

Yuan Yuan, Chenyang Shao, Jingtao Ding, Depeng Jin, Yong Li

Spatio-temporal modeling is foundational for smart city applications, yet it is often hindered by data scarcity in many cities and regions. To bridge this gap, we propose a novel generative pre-training framework, GPD, for spatio-temporal few-shot learning with urban knowledge transfer. Unlike conventional approaches that heavily rely on common feature extraction or intricate few-shot learning designs, our solution takes a novel approach by performing generative pre-training on a collection of neural network parameters optimized with data from source cities. We recast spatio-temporal few-shot learning as pre-training a generative diffusion model, which generates tailored neural networks guided by prompts, allowing for adaptability to diverse data distributions and city-specific characteristics. GPD employs a Transformer-based denoising diffusion model, which is model-agnostic to integrate with powerful spatio-temporal neural networks. By addressing challenges arising from data gaps and the complexity of generalizing knowledge across cities, our framework consistently outperforms state-of-the-art baselines on multiple real-world datasets for tasks such as traffic speed prediction and crowd flow prediction. The implementation of our approach is available: https://github.com/tsinghua-fib-lab/GPD.

Miscellaneous Aspects of Machine Learning · Causality

Songyao Jin, Feng Xie, Guangyi Chen, Biwei Huang, Zhengming Chen, Xinshuai Dong, Kun Zhang

Conventional causal discovery approaches, which seek to uncover causal relationships among measured variables, are typically fragile to the presence of latent variables. While various methods have been developed to address this confounding issue, they often rely on strong assumptions about the underlying causal structure. In this paper, we consider a general scenario where measured and latent variables collectively form a partially observed causally sufficient linear system and latent variables may be anywhere in the causal structure. We theoretically show that with the aid of high-order statistics, the causal graph is (almost) fully identifiable if, roughly speaking, each latent set has a sufficient number of pure children, which can be either latent or measured. Naturally, LiNGAM, a model without latent variables, is encompassed as a special case. Based on the identification theorem, we develop a principled algorithm to identify the causal graph by testing for statistical independence involving only measured variables in specific manners. Experimental results show that our method effectively recovers the causal structure, even when latent variables are influenced by measured variables.

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

Hannah Kniesel, Leon Sick, Tristan Payer, Tim Bergner, Kavitha Shaga Devan, Clarissa Read, Paul Walther, Timo Ropinski, Pedro Hermosilla

Current state-of-the-art methods for object detection rely on annotated bounding boxes of large data sets for training. However, obtaining such annotations is expensive and can require up to hundreds of hours of manual labor. This poses a challenge, especially since such annotations can only be provided by experts, as they require knowledge about the scientific domain. To tackle this challenge, we propose a domain-specific weakly supervised object detection algorithm that only relies on image-level annotations, which are significantly easier to acquire. Our method distills the knowledge of a pre-trained model, on the task of predicting the presence or absence of a virus in an image, to obtain a set of pseudo-labels that can be used to later train a state-of-the-art object detection model. To do so, we use an optimization approach with a shrinking receptive field to extract virus particles directly without specific network architectures. Through a set of extensive studies, we show how the proposed pseudo-labels are easier to obtain, and, more importantly, are able to outperform other existing weak labeling methods, and even ground truth labels, in cases where the time to obtain the annotation is limited.

Miscellaneous Aspects of Machine Learning · Representation Learning

Irene Cannistraci, Luca Moschella, Marco Fumero, Valentino Maiorca, Emanuele Rodolà

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.