Continuous-time models such as Neural ODEs and Neural Flows have shown promising results in analyzing irregularly sampled time series frequently encountered in electronic health records. Based on these models, time series are typically processed with a hybrid of an initial value problem (IVP) solver and a recurrent neural network within the variational autoencoder architecture. Sequentially solving IVPs makes such models computationally less efficient. In this paper, we propose to model time series purely with continuous processes whose state evolution can be approximated directly by IVPs. This eliminates the need for recurrent computation and enables multiple states to evolve in parallel. We further fuse the encoder and decoder with one IVP solver utilizing its invertibility, which leads to fewer parameters and faster convergence. Experiments on three real-world datasets show that the proposed method can systematically outperform its predecessors, achieve state-of-the-art results, and have significant advantages in terms of data efficiency.
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We propose expanding the shared Transformer module to produce and initialize Transformers of varying depths, enabling adaptation to diverse resource constraints. Drawing an analogy to genetic expansibility, we term such module as learngene. To identify the expansion mechanism, we delve into the relationship between the layer's position and its corresponding weight value, and find that linear function appropriately approximates this relationship. Building on this insight, we present Transformer as Linear Expansion of learnGene (TLEG), a novel approach for flexibly producing and initializing Transformers of diverse depths. Specifically, to learn learngene, we firstly construct an auxiliary Transformer linearly expanded from learngene, after which we train it through employing soft distillation. Subsequently, we can produce and initialize Transformers of varying depths via linearly expanding the well-trained learngene, thereby supporting diverse downstream scenarios. Extensive experiments on ImageNet-1K demonstrate that TLEG achieves comparable or better performance in contrast to many individual models trained from scratch, while reducing around 2× training cost. When transferring to several downstream classification datasets, TLEG surpasses existing initialization methods by a large margin (e.g., +6.87% on iNat 2019 and +7.66% on CIFAR-100). Under the situation where we need to produce models of varying depths adapting for different resource constraints, TLEG achieves comparable results while reducing around 19× parameters stored to initialize these models and around 5× pre-training costs, in contrast to the pre-training and fine-tuning approach. When transferring a fixed set of parameters to initialize different models, TLEG presents better flexibility and competitive performance while reducing around 2.9× parameters stored to initialize, compared to the pre-training approach.
Black-box domain adaptation (BDA) targets to learn a classifier on an unsupervised target domain while assuming only access to black-box predictors trained from unseen source data. Although a few BDA approaches have demonstrated promise by manipulating the transferred labels, they largely overlook the rich underlying structure in the target domain. To address this problem, we introduce a novel separation and alignment framework for BDA. Firstly, we locate those well-adapted samples via loss ranking and a flexible confidence-thresholding procedure. Then, we introduce a novel graph contrastive learning objective that aligns under-adapted samples to their local neighbors and well-adapted samples. Lastly, the adaptation is finally achieved by a nearest-centroid-augmented objective that exploits the clustering effect in the feature space. Extensive experiments demonstrate that our proposed method outperforms best baselines on benchmark datasets, e.g. improving the averaged per-class accuracy by 4.1% on the VisDA dataset. The source code is available at: https://github.com/MingxuanXia/SEAL.
Financial simulators play an important role in enhancing forecasting accuracy, managing risks, and fostering strategic financial decision-making. Despite the development of financial market simulation methodologies, existing frameworks often struggle with adapting to specialized simulation context. We pinpoint the challenges as i) current financial datasets do not contain context labels; ii) current techniques are not designed to generate financial data with context as control, which demands greater precision compared to other modalities; iii) the inherent difficulties in generating context-aligned, high-fidelity data given the non-stationary, noisy nature of financial data. To address these challenges, our contributions are: i) we proposed the Contextual Market Dataset with market dynamics, stock ticker, and history state as context, leveraging a market dynamics modeling method that combines linear regression and clustering to extract market dynamics; ii) we present Market-GAN, a novel architecture incorporating a Generative Adversarial Networks (GAN) for the controllable generation with context, an autoencoder for learning low-dimension features, and supervisors for knowledge transfer; iii) we introduce a two-stage training scheme to ensure that Market-GAN captures the intrinsic market distribution with multiple objectives. In the pertaining stage, with the use of the autoencoder and supervisors, we prepare the generator with a better initialization for the adversarial training stage. We propose a set of holistic evaluation metrics that consider alignment, fidelity, data usability on downstream tasks, and market facts. We evaluate Market-GAN with the Dow Jones Industrial Average data from 2000 to 2023 and showcase superior performance in comparison to 4 state-of-the-art time-series generative models.
Self-training based few-shot node classification (FSNC) methods have shown excellent performance in real applications, but they cannot make the full use of the information in the base set and are easily affected by the quality of pseudo-labels. To address these issues, this paper proposes a new self-training FSNC method by involving the representation distillation and the pseudo-label distillation. Specifically, the representation distillation includes two knowledge distillation methods (i.e., the local representation distillation and the global representation distillation) to transfer the information in the base set to the novel set. The pseudo-label distillation is designed to conduct knowledge distillation on the pseudo-labels to improve their quality. Experimental results showed that our method achieves supreme performance, compared with state-of-the-art methods. Our code and a comprehensive theoretical version are available at https://github.com/zongqianwu/KD-FSNC.
We characterize offline data poisoning attacks on Multi-Agent Reinforcement Learning (MARL), where an attacker may change a data set in an attempt to install a (potentially fictitious) unique Markov-perfect Nash equilibrium for a two-player zero-sum Markov game. We propose the unique Nash set, namely the set of games, specified by their Q functions, with a specific joint policy being the unique Nash equilibrium. The unique Nash set is central to poisoning attacks because the attack is successful if and only if data poisoning pushes all plausible games inside it. The unique Nash set generalizes the reward polytope commonly used in inverse reinforcement learning to MARL. For zero-sum Markov games, both the inverse Nash set and the set of plausible games induced by data are polytopes in the Q function space. We exhibit a linear program to efficiently compute the optimal poisoning attack. Our work sheds light on the structure of data poisoning attacks on offline MARL, a necessary step before one can design more robust MARL algorithms.
Multi-source transfer learning is an effective solution to data scarcity by utilizing multiple source tasks for the learning of the target task. However, access to source data and model details is limited in the era of commercial models, giving rise to the setting of multi-source-free (MSF) transfer learning that aims to leverage source domain knowledge without such access. As a newly defined problem paradigm, MSF transfer learning remains largely underexplored and not clearly formulated. In this work, we adopt an information theoretic perspective on it and propose a framework named H-ensemble, which dynamically learns the optimal linear combination, or ensemble, of source models for the target task, using a generalization of maximal correlation regression. The ensemble weights are optimized by maximizing an information theoretic metric for transferability. Compared to previous works, H-ensemble is characterized by: 1) its adaptability to a novel and realistic MSF setting for few-shot target tasks, 2) theoretical reliability, 3) a lightweight structure easy to interpret and adapt. Our method is empirically validated by ablation studies, along with extensive comparative analysis with other task ensemble and transfer learning methods. We show that the H-ensemble can successfully learn the optimal task ensemble, as well as outperform prior arts.
Test-time domain adaptation aims to adapt the model trained on source domains to unseen target domains using a few unlabeled images. Emerging research has shown that the label and domain information is separately embedded in the weight matrix and batch normalization (BN) layer. Previous works normally update the whole network naively without explicitly decoupling the knowledge between label and domain. As a result, it leads to knowledge interference and defective distribution adaptation. In this work, we propose to reduce such learning interference and elevate the domain knowledge learning by only manipulating the BN layer. However, the normalization step in BN is intrinsically unstable when the statistics are re-estimated from a few samples. We find that ambiguities can be greatly reduced when only updating the two affine parameters in BN while keeping the source domain statistics. To further enhance the domain knowledge extraction from unlabeled data, we construct an auxiliary branch with label-independent self-supervised learning (SSL) to provide supervision. Moreover, we propose a bi-level optimization based on meta-learning to enforce the alignment of two learning objectives of auxiliary and main branches. The goal is to use the auxiliary branch to adapt the domain and benefit main task for subsequent inference. Our method keeps the same computational cost at inference as the auxiliary branch can be thoroughly discarded after adaptation. Extensive experiments show that our method outperforms the prior works on five WILDS real-world domain shift datasets. Our method can also be integrated with methods with label-dependent optimization to further push the performance boundary. Our code is available at https://github.com/ynanwu/MABN.
Incomplete Multiple Kernel Clustering algorithms, which aim to learn a common latent representation from pre-constructed incomplete multiple kernels from the original data, followed by k-means for clustering. They have attracted intensive attention due to their high computational efficiency. However, our observation reveals that the imputation of these approaches for each kernel ignores the influence of other incomplete kernels. In light of this, we present a novel method called Low-Rank Kernel Tensor Learning for Incomplete Multiple Views Clustering (LRKT-IMVC) to address the above issue. Specifically, LRKT-IMVC first introduces the concept of kernel tensor to explore the inter-view correlations, and then the low-rank kernel tensor constraint is used to further capture the consistency information to impute missing kernel elements, thereby improving the quality of clustering. Moreover, we carefully design an alternative optimization method with promising convergence to solve the resulting optimization problem. The proposed method is compared with recent advances in experiments with different missing ratios on seven well-known datasets, demonstrating its effectiveness and the advantages of the proposed interpolation method.
FedA3I: Annotation Quality-Aware Aggregation for Federated Medical Image Segmentation against Heterogeneous Annotation Noise
PDF ↗Federated learning (FL) has emerged as a promising paradigm for training segmentation models on decentralized medical data, owing to its privacy-preserving property. However, existing research overlooks the prevalent annotation noise encountered in real-world medical datasets, which limits the performance ceilings of FL. In this paper, we, for the first time, identify and tackle this problem. For problem formulation, we propose a contour evolution for modeling non-independent and identically distributed (Non-IID) noise across pixels within each client and then extend it to the case of multi-source data to form a heterogeneous noise model (i.e., Non-IID annotation noise across clients). For robust learning from annotations with such two-level Non-IID noise, we emphasize the importance of data quality in model aggregation, allowing high-quality clients to have a greater impact on FL. To achieve this, we propose Federated learning with Annotation quAlity-aware AggregatIon, named FedA3I, by introducing a quality factor based on client-wise noise estimation. Specifically, noise estimation at each client is accomplished through the Gaussian mixture model and then incorporated into model aggregation in a layer-wise manner to up-weight high-quality clients. Extensive experiments on two real-world medical image segmentation datasets demonstrate the superior performance of FedA3I against the state-of-the-art approaches in dealing with cross-client annotation noise. The code is available at https://github.com/wnn2000/FedAAAI.
Despite many breakthroughs in recent years, it is still hard for MultiAgent Reinforcement Learning (MARL) algorithms to directly solve complex tasks in MultiAgent Systems (MASs) from scratch. In this work, we study how to use Automatic Curriculum Learning (ACL) to reduce the number of environmental interactions required to learn a good policy. In order to solve a difficult task, ACL methods automatically select a sequence of tasks (i.e., curricula). The idea is to obtain maximum learning progress towards the final task by continuously learning on tasks that match the current capabilities of the learners. The key question is how to measure the learning progress of the learner for better curriculum selection. We propose a novel ACL framework, PrOgRessive mulTiagent Automatic curricuLum (PORTAL), for MASs. PORTAL selects curricula according to two critera: 1) How difficult is a task, relative to the learners’ current abilities? 2) How similar is a task, relative to the final task? By learning a shared feature space between tasks, PORTAL is able to characterize different tasks based on the distribution of features and select those that are similar to the final task. Also, the shared feature space can effectively facilitate the policy transfer between curricula. Experimental results show that PORTAL can train agents to master extremely hard cooperative tasks, which can not be achieved with previous state-of-the-art MARL algorithms.
Self-supervised representation learning methods have achieved significant success in computer vision and natural language processing (NLP), where data samples exhibit explicit spatial or semantic dependencies. However, applying these methods to tabular data is challenging due to the less pronounced dependencies among data samples. In this paper, we address this limitation by introducing SwitchTab, a novel self-supervised method specifically designed to capture latent dependencies in tabular data. SwitchTab leverages an asymmetric encoder-decoder framework to decouple mutual and salient features among data pairs, resulting in more representative embeddings. These embeddings, in turn, contribute to better decision boundaries and lead to improved results in downstream tasks. To validate the effectiveness of SwitchTab, we conduct extensive experiments across various domains involving tabular data. The results showcase superior performance in end-to-end prediction tasks with fine-tuning. Moreover, we demonstrate that pre-trained salient embeddings can be utilized as plug-and-play features to enhance the performance of various traditional classification methods (e.g., Logistic Regression, XGBoost, etc.). Lastly, we highlight the capability of SwitchTab to create explainable representations through visualization of decoupled mutual and salient features in the latent space.
With the growing use of machine learning (ML) models in critical domains such as finance and healthcare, the need to offer recourse for those adversely affected by the decisions of ML models has become more important; individuals ought to be provided with recommendations on actions to take for improving their situation and thus receiving a favorable decision. Prior work on sequential algorithmic recourse---which recommends a series of changes---focuses on action feasibility and uses the proximity of feature changes to determine action costs. However, the uncertainties of feature changes and the risk of higher than average costs in recourse have not been considered. It is undesirable if a recourse could (with some probability) result in a worse situation from which recovery requires an extremely high cost. It is essential to incorporate risks when computing and evaluating recourse. We call the recourse computed with such risk considerations as Safe Algorithmic Recourse (SafeAR). The objective is to empower people to choose a recourse based on their risk tolerance. In this work, we discuss and show how existing recourse desiderata can fail to capture the risk of higher costs. We present a method to compute recourse policies that consider variability in cost and connect algorithmic recourse literature with risk-sensitive reinforcement learning. We also adopt measures "Value at Risk" and "Conditional Value at Risk" from the financial literature to summarize risk concisely. We apply our method to two real-world datasets and compare policies with different risk-aversion levels using risk measures and recourse desiderata (sparsity and proximity).
Efficiently modeling spatio-temporal (ST) physical processes and observations presents a challenging problem for the deep learning community. Many recent studies have concentrated on meticulously reconciling various advantages, leading to designed models that are neither simple nor practical. To address this issue, this paper presents a systematic study on existing shortcomings faced by off-the-shelf models, including lack of local fidelity, poor prediction performance over long time-steps, low scalability, and inefficiency. To systematically address the aforementioned problems, we propose an EarthFarseer, a concise framework that combines parallel local convolutions and global Fourier-based transformer architectures, enabling dynamically capture the local-global spatial interactions and dependencies. EarthFarseer also incorporates a multi-scale fully convolutional and Fourier architectures to efficiently and effectively capture the temporal evolution. Our proposal demonstrates strong adaptability across various tasks and datasets, with fast convergence and better local fidelity in long time-steps predictions. Extensive experiments and visualizations over eight human society physical and natural physical datasets demonstrates the state-of-the-art performance of EarthFarseer. We release our code at https://github.com/easylearningscores/EarthFarseer.
Model-based offline reinforcement learning (RL) algorithms have emerged as a promising paradigm for offline RL. These algorithms usually learn a dynamics model from a static dataset of transitions, use the model to generate synthetic trajectories, and perform conservative policy optimization within these trajectories. However, our observations indicate that policy optimization methods used in these model-based offline RL algorithms are not effective at exploring the learned model and induce biased exploration, which ultimately impairs the performance of the algorithm. To address this issue, we propose Offline Conservative ExplorAtioN (OCEAN), a novel rollout approach to model-based offline RL. In our method, we incorporate additional exploration techniques and introduce three conservative constraints based on uncertainty estimation to mitigate the potential impact of significant dynamic errors resulting from exploratory transitions. Our work is a plug-in method and can be combined with classical model-based RL algorithms, such as MOPO, COMBO, and RAMBO. Experiment results of our method on the D4RL MuJoCo benchmark show that OCEAN significantly improves the performance of existing algorithms.
Partial label learning (PLL) refers to the classification task where each training instance is ambiguously annotated with a set of candidate labels. Despite substantial advancements in tackling this challenge, limited attention has been devoted to a more specific and realistic setting, denoted as instance-dependent partial label learning (IDPLL). Within this contex, the assignment of partial labels depends on the distinct features of individual instances, rather than being random. In this paper, we initiate an exploration into a self-distillation framework for this problem, driven by the proven effectiveness and stability of this framework. Nonetheless, a crucial shortfall is identified: the foundational assumption central to IDPLL, involving what we term as partial label knowledge stipulating that candidate labels should exhibit superior confidence compared to non-candidates, is not fully upheld within the distillation process. To address this challenge, we introduce DIRK, a novel distillation approach that leverages a rectification process to DIstill Reliable Knowledge, while concurrently preserves informative fine-grained label confidence. In addition, to harness the rectified confidence to its fullest potential, we propose a knowledge-based representation refinement module, seamlessly integrated into the DIRK framework. This module effectively transmits the essence of similarity knowledge from the label space to the feature space, thereby amplifying representation learning and subsequently engendering marked improvements in model performance. Experiments and analysis on multiple datasets validate the rationality and superiority of our proposed approach.
Solving Spectrum Unmixing as a Multi-Task Bayesian Inverse Problem with Latent Factors for Endmember Variability
PDF ↗With the increasing customization of spectrometers, spectral unmixing has become a widely used technique in fields such as remote sensing, textiles, and environmental protection. However, endmember variability is a common issue for unmixing, where changes in lighting, atmospheric, temporal conditions, or the intrinsic spectral characteristics of materials, can all result in variations in the measured spectrum. Recent studies have employed deep neural networks to tackle endmember variability. However, these approaches rely on generic networks to implicitly resolve the issue, which struggles with the ill-posed nature and lack of effective convergence constraints for endmember variability. This paper proposes a streamlined multi-task learning model to rectify this problem, incorporating abundance regression and multi-label classification with Unmixing as a Bayesian Inverse Problem, denoted as BIPU. To address the issue of the ill-posed nature, the uncertainty of unmixing is quantified and minimized through the Laplace approximation in a Bayesian inverse solver. In addition, to improve convergence under the influence of endmember variability, the paper introduces two types of constraints. The first separates background factors of variants from the initial factors for each endmember, while the second identifies and eliminates the influence of non-existent endmembers via multi-label classification during convergence. The effectiveness of this model is demonstrated not only on a self-collected near-infrared spectral textile dataset (FENIR), but also on three commonly used remote sensing hyperspectral image datasets, where it achieves state-of-the-art unmixing performance and exhibits strong generalization capabilities.
Deep reinforcement learning (RL) has shown remarkable success in specific offline decision-making scenarios, yet its theoretical guarantees are still under development. Existing works on offline RL theory primarily emphasize a few trivial settings, such as linear MDP or general function approximation with strong assumptions and independent data, which lack guidance for practical use. The coupling of deep learning and Bellman residuals makes this problem challenging, in addition to the difficulty of data dependence. In this paper, we establish a non-asymptotic estimation error of pessimistic offline RL using general neural network approximation with C-mixing data regarding the structure of networks, the dimension of datasets, and the concentrability of data coverage, under mild assumptions. Our result shows that the estimation error consists of two parts: the first converges to zero at a desired rate on the sample size with partially controllable concentrability, and the second becomes negligible if the residual constraint is tight. This result demonstrates the explicit efficiency of deep adversarial offline RL frameworks. We utilize the empirical process tool for C-mixing sequences and the neural network approximation theory for the Holder class to achieve this. We also develop methods to bound the Bellman estimation error caused by function approximation with empirical Bellman constraint perturbations. Additionally, we present a result that lessens the curse of dimensionality using data with low intrinsic dimensionality and function classes with low complexity. Our estimation provides valuable insights into the development of deep offline RL and guidance for algorithm model design.
We consider training decision trees using noisily labeled data, focusing on loss functions that can lead to robust learning algorithms. Our contributions are threefold. First, we offer novel theoretical insights on the robustness of many existing loss functions in the context of decision tree learning. We show that some of the losses belong to a class of what we call conservative losses, and the conservative losses lead to an early stopping behavior during training and noise-tolerant predictions during testing. Second, we introduce a framework for constructing robust loss functions, called distribution losses. These losses apply percentile-based penalties based on an assumed margin distribution, and they naturally allow adapting to different noise rates via a robustness parameter. In particular, we introduce a new loss called the negative exponential loss, which leads to an efficient greedy impurity-reduction learning algorithm. Lastly, our experiments on multiple datasets and noise settings validate our theoretical insight and the effectiveness of our adaptive negative exponential loss.
Reproducibility is a desirable property of scientific research. On the one hand, it increases confidence in results. On the other hand, reproducible results can be extended on a solid basis. In rapidly developing fields such as machine learning, the latter is particularly important to ensure the reliability of research. In this paper, we present a systematic approach to reproducing (using the available implementation), replicating (using an alternative implementation) and reevaluating (using different datasets) state-of-the-art experiments. This approach enables the early detection and correction of deficiencies and thus the development of more robust and transparent machine learning methods. We detail the independent reproduction, replication, and reevaluation of the initially published experiments with a method that we want to extend. For each step, we identify issues and draw lessons learned. We further discuss solutions that have proven effective in overcoming the encountered problems. This work can serve as a guide for further reproducibility studies and generally improve reproducibility in machine learning.