Unsupervised machine learning is widely used to mine large, unlabeled datasets to make data-driven discoveries in critical domains such as climate science, biomedicine, astronomy, chemistry, and more. However, despite its widespread utilization, there is a lack of standardization in unsupervised learning workflows for making reliable and reproducible scientific discoveries. In this paper, we present a structured workflow for using unsupervised learning techniques in science. We highlight and discuss best practices starting with formulating validatable scientific questions, conducting robust data preparation and exploration, using a range of modeling techniques, performing rigorous validation by evaluating the stability and generalizability of unsupervised learning conclusions, and promoting effective communication and documentation of results to ensure reproducible scientific discoveries. To illustrate our proposed workflow, we present a case study from astronomy, seeking to refine globular clusters of Milky Way stars based upon their chemical composition. Our case study highlights the importance of validation and illustrates how the benefits of a carefully-designed workflow for unsupervised learning can advance scientific discovery.

Neural networks have demonstrated exceptional performance in supervised learning, benefiting from abundant high-quality annotated data. However, obtaining such data in real-world scenarios is costly and labor-intensive. Semi-supervised learning (SSL) offers a solution to this problem. Recent studies, such as Semi-ViT and Noisy Student, which employ consistency regularization or pseudo-labeling, have demonstrated significant achievements. However, they still face challenges, particularly in accurately selecting sufficient high-quality pseudo-labels due to their reliance on fixed thresholds. Recent methods such as FlexMatch and FreeMatch have introduced flexible or self-adaptive thresholding techniques, greatly advancing SSL research. Nonetheless, their process of updating thresholds at each iteration is deemed time-consuming, computationally intensive, and potentially unnecessary. To address these issues, we propose Self-training with Self-adaptive Thresholding (SST), a novel, effective, and efficient SSL framework. SST introduces an innovative Self-Adaptive Thresholding (SAT) mechanism that adaptively adjusts class-specific thresholds based on the model's learning progress. SAT ensures the selection of high-quality pseudo-labeled data, mitigating the risks of inaccurate pseudo-labels and confirmation bias. Extensive experiments demonstrate that SST achieves state-of-the-art performance with remarkable efficiency, generalization, and scalability across various architectures and datasets. Semi-SST-ViT-Huge achieves the best results on competitive ImageNet-1K SSL benchmarks, with 80.7% / 84.9% Top-1 accuracy using only 1% / 10% labeled data. Compared to the fully-supervised DeiT-III-ViT-Huge, which achieves 84.8% Top-1 accuracy using 100% labeled data, our method demonstrates superior performance using only 10% labeled data.

Additional Feedback: This paper introduces a method for efficient exploration in RL. The proposed method assumes an MDP with high-dimensional states that are generated by an underlying lower-dimensional process, such that these states can be compressed via an unsupervised learning algorithm/oracle. The method then (1) defines an MDP over the resulting low-dimensional state space; and (2) learns a policy by generating trajectories in low-dimensional space, which arguably facilitates exploration. At each iteration, the algorithm gathers data to compute a policy and also to improve the embedding model computed by the unsupervised algorithm. The authors show that as long as the unsupervised algorithm and the tabular RL algorithm have polynomial sample complexity, it is possible to find a near-optimal policy with polynomial complexity in the number of latent states, which is much smaller than the number of high-dimensional states.

Conventional semi-supervised learning (SSL) ideally assumes that labeled and unlabeled data share an identical class distribution, however in practice, this assumption is easily violated, as unlabeled data often includes unknown class data, i.e., outliers. The outliers are treated as noise, considerably degrading the performance of SSL models. To address this drawback, we propose a novel framework, Diversify and Conquer (DAC), to enhance SSL robustness in the context of open-set semi-supervised learning. In particular, we note that existing open-set SSL methods rely on prediction discrepancies between inliers and outliers from a single model trained on labeled data. This approach can be easily failed when the labeled data is insufficient, leading to performance degradation that is worse than naive SSL that do not account for outliers. In contrast, our approach exploits prediction disagreements among multiple models that are differently biased towards the unlabeled distribution. By leveraging the discrepancies arising from training on unlabeled data, our method enables robust outlier detection even when the labeled data is underspecified. Our key contribution is constructing a collection of differently biased models through a single training process. By encouraging divergent heads to be differently biased towards outliers while making consistent predictions for inliers, we exploit the disagreement among these heads as a measure to identify unknown concepts. Our code is available at https://github.com/heejokong/DivCon.

Strengths: (1) The paper proposes a new model named HiFi-GAN for efficient and high-fidelity raw waveform generation from mel-spectrogram. In addition to the existing Multi-Scale Discriminator (MSD), the discriminator also consists of a set of small sub-discriminators (called Multi-Period Discriminator, MPD). Each MPD handles a portion of periodic signals of input audio to capture the diverse periodic patterns underlying in the audio data.

This work initially received mixed reviews, but after the author feedback cleared up a misunderstanding, most reviewers are now recommending acceptance. Nevertheless, I think R2 (who has not raised their score) has some valid concerns, which I want to account for in my decision. I have decided to recommend acceptance. The experimental section of this work is fairly comprehensive, and adequately demonstrates that the proposed architecture is effective. However, it is important to point out that the majority of experiments was conducted using ground-truth mel-spectrogram conditioning, which does not match the usual practical setting of TTS systems, where the spectrograms are themselves generated by a model (and thus imperfect).

Open Relation Extraction (OpenRE) seeks to identify and extract novel relational facts between named entities from unlabeled data without pre-defined relation schemas. Traditional OpenRE methods typically assume that the unlabeled data consists solely of novel relations or is pre-divided into known and novel instances. However, in real-world scenarios, novel relations are arbitrarily distributed. In this paper, we propose a generalized OpenRE setting that considers unlabeled data as a mixture of both known and novel instances. To address this, we propose MixORE, a two-phase framework that integrates relation classification and clustering to jointly learn known and novel relations. Experiments on three benchmark datasets demonstrate that MixORE consistently outperforms competitive baselines in known relation classification and novel relation clustering. Our findings contribute to the advancement of generalized OpenRE research and real-world applications.

Self-supervised contrastive learning has emerged as a powerful tool in machine learning and computer vision to learn meaningful representations from unlabeled data. Meanwhile, its empirical success has encouraged many theoretical studies to reveal the learning mechanisms. However, in the existing theoretical research, the role of data augmentation is still under-exploited, especially the effects of specific augmentation types. To fill in the blank, we for the first time propose an augmentation-aware error bound for self-supervised contrastive learning, showing that the supervised risk is bounded not only by the unsupervised risk, but also explicitly by a trade-off induced by data augmentation. Then, under a novel semantic label assumption, we discuss how certain augmentation methods affect the error bound. Lastly, we conduct both pixel- and representation-level experiments to verify our proposed theoretical results.

Our examination of deep generative models (DGMs) developed for semi-supervised learning (SSL), mainly GANs and VAEs, reveals two problems. First, mode missing and mode covering phenomenons are observed in genertion with GANs and VAEs. Second, there exists an awkward conflict between good classification and good generation in SSL by employing directed generative models. To address these problems, we formally present joint-stochastic-approximation random fields (JRFs) -- a new family of algorithms for building deep undirected generative models, with application to SSL. It is found through synthetic experiments that JRFs work well in balancing mode covering and mode missing, and match the empirical data distribution well. Empirically, JRFs achieve good classification results comparable to the state-of-art methods on widely adopted datasets -- MNIST, SVHN, and CIFAR-10 in SSL, and simultaneously perform good generation.

Semi-Supervised Federated Learning (SSFL) is gaining popularity over conventional Federated Learning in many real-world applications. Due to the practical limitation of limited labeled data on the client side, SSFL considers that participating clients train with unlabeled data, and only the central server has the necessary resources to access limited labeled data, making it an ideal fit for real-world applications (e.g., healthcare). However, traditional SSFL assumes that the data distributions in the training phase and testing phase are the same. In practice, however, domain shifts frequently occur, making it essential for SSFL to incorporate generalization capabilities and enhance their practicality. The core challenge is improving model generalization to new, unseen domains while the client participate in SSFL. However, the decentralized setup of SSFL and unsupervised client training necessitates innovation to achieve improved generalization across domains. To achieve this, we propose a novel framework called the Unified Alignment Protocol (UAP), which consists of an alternating two-stage training process. The first stage involves training the server model to learn and align the features with a parametric distribution, which is subsequently communicated to clients without additional communication overhead. The second stage proposes a novel training algorithm that utilizes the server feature distribution to align client features accordingly. Our extensive experiments on standard domain generalization benchmark datasets across multiple model architectures reveal that proposed UAP successfully achieves SOTA generalization performance in SSFL setting.