Most current long-tailed classification approaches assume the cost-agnostic scenario, where the training distribution of classes is long-tailed while the testing distribution of classes is balanced. Meanwhile, the misclassification costs of all instances are the same. On the other hand, in many real-world applications, it is more proper to assume that the training and testing distributions of classes are the same, while the misclassification cost of tail-class instances is varied. In this work, we model such a scenario as cost-aware long-tailed classification, in which the identification of high-cost tail instances and focusing learning on them thereafter is essential. In consequence, we propose the learning strategy of augmenting new instances based on adaptive region partition in the feature space. We conduct theoretical analysis to show that under the assumption that the feature-space distance and the misclassification cost are correlated, the identification of high-cost tail instances can be realized by building region partitions with a low variance of risk within each region. The resulting AugARP approach could significantly outperform baseline approaches on both benchmark datasets and real-world product sales datasets.
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AlphaZero and MuZero have achieved state-of-the-art (SOTA) performance in a wide range of domains, including board games and robotics, with discrete and continuous action spaces. However, to obtain an improved policy, they often require an excessively large number of simulations, especially for domains with large action spaces. As the simulation budget decreases, their performance drops significantly. In addition, many important real-world applications have combinatorial (or exponential) action spaces, making it infeasible to search directly over all possible actions. In this paper, we extend AlphaZero and MuZero to learn and plan in more complex multiagent (MA) Markov decision processes, where the action spaces increase exponentially with the number of agents. Our new algorithms, MA Gumbel AlphaZero and MA Gumbel MuZero, respectively without and with model learning, achieve superior performance on cooperative multiagent control problems, while reducing the number of environmental interactions by up to an order of magnitude compared to model-free approaches. In particular, we significantly improve prior performance when planning with much fewer simulation budgets. The code and appendix are available at https://github.com/tjuHaoXiaotian/MA-MuZero.
Fine-tuning pre-trained neural network models has become a widely adopted approach across various domains. However, it can lead to the distortion of pre-trained feature extractors that already possess strong generalization capabilities. Mitigating feature distortion during adaptation to new target domains is crucial. Recent studies have shown promising results in handling feature distortion by aligning the head layer on in-distribution datasets before performing fine-tuning. Nonetheless, a significant limitation arises from the treatment of batch normalization layers during fine-tuning, leading to suboptimal performance. In this paper, we propose Domain-Aware Fine-Tuning (DAFT), a novel approach that incorporates batch normalization conversion and the integration of linear probing and fine-tuning. Our batch normalization conversion method effectively mitigates feature distortion by reducing modifications to the neural network during fine-tuning. Additionally, we introduce the integration of linear probing and fine-tuning to optimize the head layer with gradual adaptation of the feature extractor. By leveraging batch normalization layers and integrating linear probing and fine-tuning, our DAFT significantly mitigates feature distortion and achieves improved model performance on both in-distribution and out-of-distribution datasets. Extensive experiments demonstrate that our method outperforms other baseline methods, demonstrating its effectiveness in not only improving performance but also mitigating feature distortion.
In this paper, we introduce a fresh perspective on the challenges of credit assignment and policy evaluation. First, we delve into the nuances of eligibility traces and explore instances where their updates may result in unexpected credit assignment to preceding states. From this investigation emerges the concept of a novel value function, which we refer to as the ????????????? ????? ????????. Unlike traditional state value functions, bidirectional value functions account for both future expected returns (rewards anticipated from the current state onward) and past expected returns (cumulative rewards from the episode's start to the present). We derive principled update equations to learn this value function and, through experimentation, demonstrate its efficacy in enhancing the process of policy evaluation. In particular, our results indicate that the proposed learning approach can, in certain challenging contexts, perform policy evaluation more rapidly than TD(λ)–a method that learns forward value functions, v^π, ????????. Overall, our findings present a new perspective on eligibility traces and potential advantages associated with the novel value function it inspires, especially for policy evaluation.
As machine learning models, specifically neural networks, are becoming increasingly popular, there are concerns regarding their trustworthiness, specially in safety-critical applications, e.g. actions of an autonomous vehicle must be safe. There are approaches that can train neural networks where such domain requirements are enforced as constraints, but they either cannot guarantee that the constraint will be satisfied by all possible predictions (even on unseen data) or they are limited in the type of constraints that can be enforced. In this paper, we present an approach to train neural networks which can enforce a wide variety of constraints and guarantee that the constraint is satisfied by all possible predictions. The approach builds on earlier work where learning linear models is formulated as a constraint satisfaction problem (CSP). To make this idea applicable to neural networks, two crucial new elements are added: constraint propagation over the network layers, and weight updates based on a mix of gradient descent and CSP solving. Evaluation on various machine learning tasks demonstrates that our approach is flexible enough to enforce a wide variety of domain constraints and is able to guarantee them in neural networks.
Compressing Image-to-Image Translation GANs Using Local Density Structures on Their Learned Manifold
PDF ↗Generative Adversarial Networks (GANs) have shown remarkable success in modeling complex data distributions for image-to-image translation. Still, their high computational demands prohibit their deployment in practical scenarios like edge devices. Existing GAN compression methods mainly rely on knowledge distillation or convolutional classifiers' pruning techniques. Thus, they neglect the critical characteristic of GANs: their local density structure over their learned manifold. Accordingly, we approach GAN compression from a new perspective by explicitly encouraging the pruned model to preserve the density structure of the original parameter-heavy model on its learned manifold. We facilitate this objective for the pruned model by partitioning the learned manifold of the original generator into local neighborhoods around its generated samples. Then, we propose a novel pruning objective to regularize the pruned model to preserve the local density structure over each neighborhood, resembling the kernel density estimation method. Also, we develop a collaborative pruning scheme in which the discriminator and generator are pruned by two pruning agents. We design the agents to capture interactions between the generator and discriminator by exchanging their peer's feedback when determining corresponding models' architectures. Thanks to such a design, our pruning method can efficiently find performant sub-networks and can maintain the balance between the generator and discriminator more effectively compared to baselines during pruning, thereby showing more stable pruning dynamics. Our experiments on image translation GAN models, Pix2Pix and CycleGAN, with various benchmark datasets and architectures demonstrate our method's effectiveness.
Unsupervised and self-supervised representation learning has become popular in recent years for learning useful features from unlabelled data. Representation learning has been mostly developed in the neural network literature, and other models for representation learning are surprisingly unexplored. In this work, we introduce and analyze several kernel-based representation learning approaches: Firstly, we define two kernel Self-Supervised Learning (SSL) models using contrastive loss functions and secondly, a Kernel Autoencoder (AE) model based on the idea of embedding and reconstructing data. We argue that the classical representer theorems for supervised kernel machines are not always applicable for (self-supervised) representation learning, and present new representer theorems, which show that the representations learned by our kernel models can be expressed in terms of kernel matrices. We further derive generalisation error bounds for representation learning with kernel SSL and AE, and empirically evaluate the performance of these methods in both small data regimes as well as in comparison with neural network based models.
Dynamics model learning deals with the task of inferring unknown dynamics from measurement data and predicting the future behavior of the system. A typical approach to address this problem is to train recurrent models. However, predictions with these models are often not physically meaningful. Further, they suffer from deteriorated behavior over time due to accumulating errors. Often, simulators building on first principles are available being physically meaningful by design. However, modeling simplifications typically cause inaccuracies in these models. Consequently, hybrid modeling is an emerging trend that aims to combine the best of both worlds. In this paper, we propose a new approach to hybrid modeling, where we inform the latent states of a learned model via a black-box simulator. This allows to control the predictions via the simulator preventing them from accumulating errors. This is especially challenging since, in contrast to previous approaches, access to the simulator's latent states is not available. We tackle the task by leveraging observers, a well-known concept from control theory, inferring unknown latent states from observations and dynamics over time. In our learning-based setting, we jointly learn the dynamics and an observer that infers the latent states via the simulator. Thus, the simulator constantly corrects the latent states, compensating for modeling mismatch caused by learning. To maintain flexibility, we train an RNN-based residuum for the latent states that cannot be informed by the simulator.
Causal Adversarial Perturbations for Individual Fairness and Robustness in Heterogeneous Data Spaces
PDF ↗As responsible AI gains importance in machine learning algorithms, properties like fairness, adversarial robustness, and causality have received considerable attention in recent years. However, despite their individual significance, there remains a critical gap in simultaneously exploring and integrating these properties. In this paper, we propose a novel approach that examines the relationship between individual fairness, adversarial robustness, and structural causal models (SCMs) in heterogeneous data spaces, particularly when dealing with discrete sensitive attributes. We use SCMs and sensitive attributes to create a fair metric and apply it to measure semantic similarity among individuals. By introducing a novel causal adversarial perturbation (CAP) and applying adversarial training, we create a new regularizer that combines individual fairness, causality, and robustness in the classifier. Our method is evaluated on both real-world and synthetic datasets, demonstrating its effectiveness in achieving an accurate classifier that simultaneously exhibits fairness, adversarial robustness, and causal awareness.
Turning Waste into Wealth: Leveraging Low-Quality Samples for Enhancing Continuous Conditional Generative Adversarial Networks
PDF ↗Continuous Conditional Generative Adversarial Networks (CcGANs) enable generative modeling conditional on continuous scalar variables (termed regression labels). However, they can produce subpar fake images due to limited training data. Although Negative Data Augmentation (NDA) effectively enhances unconditional and class-conditional GANs by introducing anomalies into real training images, guiding the GANs away from low-quality outputs, its impact on CcGANs is limited, as it fails to replicate negative samples that may occur during the CcGAN sampling. We present a novel NDA approach called Dual-NDA specifically tailored for CcGANs to address this problem. Dual-NDA employs two types of negative samples: visually unrealistic images generated from a pre-trained CcGAN and label-inconsistent images created by manipulating real images' labels. Leveraging these negative samples, we introduce a novel discriminator objective alongside a modified CcGAN training algorithm. Empirical analysis on UTKFace and Steering Angle reveals that Dual-NDA consistently enhances the visual fidelity and label consistency of fake images generated by CcGANs, exhibiting a substantial performance gain over the vanilla NDA. Moreover, by applying Dual-NDA, CcGANs demonstrate a remarkable advancement beyond the capabilities of state-of-the-art conditional GANs and diffusion models, establishing a new pinnacle of performance. Our codes can be found at https://github.com/UBCDingXin/Dual-NDA.
The recent large-scale pre-trained models like CLIP have aroused great concern in vision-language tasks. However, when required to match image-text data collected in a streaming manner, namely Continual Vision-Language Retrieval (CVRL), their performances are still limited due to the catastrophic forgetting of the learned old knowledge. To handle this issue, advanced methods are proposed to distill the affinity knowledge between images and texts from the old model to the new one for anti-forgetting. Unfortunately, existing approaches neglect the impact of incorrect affinity, which prevents the balance between the anti-forgetting of old knowledge and the acquisition of new knowledge. Therefore, we propose a novel framework called Dynamic Knowledge Rectification (DKR) that simultaneously achieves incorrect knowledge filtering and rectification. Specifically, we first filter the incorrect affinity knowledge calculated by the old model on the new data. Then, a knowledge rectification method is designed to rectify the incorrect affinities while preserving the correct ones. In particular, for the new data that can only be correctly retrieved by the new model, we rectify them with the corresponding new affinity to protect them from negative transfer. Additionally, for those that can not be retrieved by either the old or the new model, we introduce paired ground-truth labels to promote the acquisition of both old and new knowledge. Extensive experiments on several benchmark datasets demonstrate the effectiveness of our DKR and its superiority against state-of-the-art methods.
Learning time-evolving objects such as multivariate time series and dynamic networks requires the development of novel knowledge representation mechanisms and neural network architectures, which allow for capturing implicit time-dependent information contained in the data. Such information is typically not directly observed but plays a key role in the learning task performance. In turn, lack of time dimension in knowledge encoding mechanisms for time-dependent data leads to frequent model updates, poor learning performance, and, as a result, subpar decision-making. Here we propose a new approach to a time-aware knowledge representation mechanism that notably focuses on implicit time-dependent topological information along multiple geometric dimensions. In particular, we propose a new approach, named Temporal MultiPersistence (TMP), which produces multidimensional topological fingerprints of the data by using the existing single parameter topological summaries. The main idea behind TMP is to merge the two newest directions in topological representation learning, that is, multi-persistence which simultaneously describes data shape evolution along multiple key parameters, and zigzag persistence to enable us to extract the most salient data shape information over time. We derive theoretical guarantees of TMP vectorizations and show its utility, in application to forecasting on benchmark traffic flow, Ethereum blockchain, and electrocardiogram datasets, demonstrating the competitive performance, especially, in scenarios of limited data records. In addition, our TMP method improves the computational efficiency of the state-of-the-art multipersistence summaries up to 59.5 times.
Dynamics of many complex systems, from weather and climate to spread of infectious diseases, can be described by partial differential equations (PDEs). Such PDEs involve unknown function(s), partial derivatives, and typically multiple independent variables. The traditional numerical methods for solving PDEs assume that the data are observed on a regular grid. However, in many applications, for example, weather and air pollution monitoring delivered by the arbitrary located weather stations of the National Weather Services, data records are irregularly spaced. Furthermore, in problems involving prediction analytics such as forecasting wildfire smoke plumes, the primary focus may be on a set of irregular locations associated with urban development. In recent years, deep learning (DL) methods and, in particular, graph neural networks (GNNs) have emerged as a new promising tool that can complement traditional PDE solvers in scenarios of the irregular spaced data, contributing to the newest research trend of physics informed machine learning (PIML). However, most existing PIML methods tend to be limited in their ability to describe higher dimensional structural properties exhibited by real world phenomena, especially, ones that live on manifolds. To address this fundamental challenge, we bring the elements of the Hodge theory and, in particular, simplicial convolution defined on the Hodge Laplacian to the emerging nexus of DL and PDEs. In contrast to conventional Laplacian and the associated convolution operation, the simplicial convolution allows us to rigorously describe diffusion across higher order structures and to better approximate the complex underlying topology and geometry of the data. The new approach, Simplicial Neural Networks for Partial Differential Equations (SNN PDE) offers a computationally efficient yet effective solution for time dependent PDEs. Our studies of a broad range of synthetic data and wildfire processes demonstrate that SNN PDE improves upon state of the art baselines in handling unstructured grids and irregular time intervals of complex physical systems and offers competitive forecasting capabilities for weather and air quality forecasting.
Graph contrastive learning (GCL) has recently emerged as a new concept which allows for capitalizing on the strengths of graph neural networks (GNNs) to learn rich representations in a wide variety of applications which involve abundant unlabeled information. However, existing GCL approaches largely tend to overlook the important latent information on higher-order graph substructures. We address this limitation by introducing the concepts of topological invariance and extended persistence on graphs to GCL. In particular, we propose a new contrastive mode which targets topological representations of the two augmented views from the same graph, yielded by extracting latent shape properties of the graph at multiple resolutions. Along with the extended topological layer, we introduce a new extended persistence summary, namely, extended persistence landscapes (EPL) and derive its theoretical stability guarantees. Our extensive numerical results on biological, chemical, and social interaction graphs show that the new Topological Graph Contrastive Learning (TopoGCL) model delivers significant performance gains in unsupervised graph classification for 8 out of 12 considered datasets and also exhibits robustness under noisy scenarios.
One important desideratum of lifelong learning aims to discover novel classes from unlabelled data in a continuous manner. The central challenge is twofold: discovering and learning novel classes while mitigating the issue of catastrophic forgetting of established knowledge. To this end, we introduce a new paradigm called Adaptive Discovering and Merging (ADM) to discover novel categories adaptively in the incremental stage and integrate novel knowledge into the model without affecting the original knowledge. To discover novel classes adaptively, we decouple representation learning and novel class discovery, and use Triple Comparison (TC) and Probability Regularization (PR) to constrain the probability discrepancy and diversity for adaptive category assignment. To merge the learned novel knowledge adaptively, we propose a hybrid structure with base and novel branches named Adaptive Model Merging (AMM), which reduces the interference of the novel branch on the old classes to preserve the previous knowledge, and merges the novel branch to the base model without performance loss and parameter growth. Extensive experiments on several datasets show that ADM significantly outperforms existing class-incremental Novel Class Discovery (class-iNCD) approaches. Moreover, our AMM also benefits the class-incremental Learning (class-IL) task by alleviating the catastrophic forgetting problem. The source code is included in the supplementary materials.
Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has to optimize an unknown function given only its offline evaluation at a fixed set of inputs. A naive solution to this problem is to learn a surrogate model of the unknown function and optimize this surrogate instead. However, such a naive optimizer is prone to erroneous overestimation of the surrogate (possibly due to over-fitting on a biased sample of function evaluation) on inputs outside the offline dataset. Prior approaches addressing this challenge have primarily focused on learning robust surrogate models. However, their search strategies are derived from the surrogate model rather than the actual offline data. To fill this important gap, we introduce a new learning-to-search perspective for offline optimization by reformulating it as an offline reinforcement learning problem. Our proposed policy-guided gradient search approach explicitly learns the best policy for a given surrogate model created from the offline data. Our empirical results on multiple benchmarks demonstrate that the learned optimization policy can be combined with existing offline surrogates to significantly improve the optimization performance.
Explaining the decision process of machine learning algorithms is nowadays crucial for both model’s performance enhancement and human comprehension. This can be achieved by assessing the variable importance of single variables, even for high-capacity non-linear methods, e.g. Deep Neural Networks (DNNs). While only removal-based approaches, such as Permutation Importance (PI), can bring statistical validity, they return misleading results when variables are correlated. Conditional Permutation Importance (CPI) bypasses PI’s limitations in such cases. However, in high-dimensional settings, where high correlations between the variables cancel their conditional importance, the use of CPI as well as other methods leads to unreliable results, besides prohibitive computation costs. Grouping variables statistically via clustering or some prior knowledge gains some power back and leads to better interpretations. In this work, we introduce BCPI (Block-Based Conditional Permutation Importance), a new generic framework for variable importance computation with statistical guarantees handling both single and group cases. Furthermore, as handling groups with high cardinality (such as a set of observations of a given modality) are both time-consuming and resource-intensive, we also introduce a new stacking approach extending the DNN architecture with sub-linear layers adapted to the group structure. We show that the ensuing approach extended with stacking controls the type-I error even with highly-correlated groups and shows top accuracy across benchmarks. Furthermore, we perform a real-world data analysis in a large-scale medical dataset where we aim to show the consistency between our results and the literature for a biomarker prediction.
Over the past two decades, there has been a tremendous increase in the growth of representation learning methods for graphs, with numerous applications across various fields, including bioinformatics, chemistry, and the social sciences. However, current dynamic network approaches focus on discrete-time networks or treat links in continuous-time networks as instantaneous events. Therefore, these approaches have limitations in capturing the persistence or absence of links that continuously emerge and disappear over time for particular durations. To address this, we propose a novel stochastic process relying on survival functions to model the durations of links and their absences over time. This forms a generic new likelihood specification explicitly accounting for intermittent edge-persistent networks, namely GraSSP: Graph Representation with Sequential Survival Process. We apply the developed framework to a recent continuous time dynamic latent distance model characterizing network dynamics in terms of a sequence of piecewise linear movements of nodes in latent space. We quantitatively assess the developed framework in various downstream tasks, such as link prediction and network completion, demonstrating that the developed modeling framework accounting for link persistence and absence well tracks the intrinsic trajectories of nodes in a latent space and captures the underlying characteristics of evolving network structure.
Kernelized Normalizing Constant Estimation: Bridging Bayesian Quadrature and Bayesian Optimization
PDF ↗In this paper, we study the problem of estimating the normalizing constant through queries to the black-box function f, which is the integration of the exponential function of f scaled by a problem parameter lambda. We assume f belongs to a reproducing kernel Hilbert space (RKHS), and show that to estimate the normalizing constant within a small relative error, the level of difficulty depends on the value of lambda: When lambda approaches zero, the problem is similar to Bayesian quadrature (BQ), while when lambda approaches infinity, the problem is similar to Bayesian optimization (BO). More generally, the problem varies between BQ and BO. We find that this pattern holds true even when the function evaluations are noisy, bringing new aspects to this topic. Our findings are supported by both algorithm-independent lower bounds and algorithmic upper bounds, as well as simulation studies conducted on a variety of benchmark functions.
Few-shot classification (FSC) entails learning novel classes given only a few examples per class after a pre-training (or meta-training) phase on a set of base classes. Recent works have shown that simply fine-tuning a pre-trained Vision Transformer (ViT) on new test classes is a strong approach for FSC. Fine-tuning ViTs, however, is expensive in time, compute and storage. This has motivated the design of parameter efficient fine-tuning (PEFT) methods which fine-tune only a fraction of the Transformer's parameters. While these methods have shown promise, inconsistencies in experimental conditions make it difficult to disentangle their advantage from other experimental factors including the feature extractor architecture, pre-trained initialization and fine-tuning algorithm, amongst others. In our paper, we conduct a large-scale, experimentally consistent, empirical analysis to study PEFTs for few-shot image classification. Through a battery of over 1.8k controlled experiments on large-scale few-shot benchmarks including Meta-Dataset and ORBIT, we uncover novel insights on PEFTs that cast light on their efficacy in fine-tuning ViTs for few-shot classification. Through our controlled empirical study, we have two main findings: (i) Fine-tuning just the LayerNorm parameters (which we call LN-Tune) during few-shot adaptation is an extremely strong baseline across ViTs pre-trained with both self-supervised and supervised objectives, (ii) For self-supervised ViTs, we find that simply learning a set of scaling parameters for each attention matrix (which we call Attn-Scale) along with a domain-residual adapter (DRA) module leads to state-of-the-art performance (while being ~9x more parameter-efficient) on Meta-Dataset. Our empirical findings set strong baselines and call for rethinking the current design of PEFT methods for FSC.