Unsupervised Learning

Techniques for concept extraction, such as sparse autoencoders and transcoders, aim to extract high-level symbolic concepts from low-level nonsymbolic representations. When these extracted concepts are used for downstream tasks such as model steering and unlearning, it is essential to understand their guarantees, or lack thereof. In this work, we present a unified theoretical framework for unsupervised concept extraction, in which we frame the task of concept extraction as identifying a generative model. We present a general meta-theorem for identifiability, which reduces the problem of establishing identifiability guarantees to the problem of characterizing the intersection of two sets. As we demonstrate on a range of widely-used approaches, this meta-theorem substantially simplifies the task of proving such guarantees, thus paving the way for the development of new, principled approaches for concept extraction.

Supervised No Free Lunch Theorems (NFLTs) are well studied, yet unsupervised NFLTs remain underexplored. For elliptical distributions, we prove that there exist two equally optimal, scientifically meaningful bump-hunting strategies that are exact opposites, with no universal winner. Specifically, peeling $k$ orthogonal dimensions from $\mathbb{R}^d$ ($d \ge k$), retaining an inter-quantile region of probability $1-α$ per peeled dimension, maximizes total variance and Frobenius norm when the $k$ smallest principal components (called pettiest components) are selected, and minimizes them when the selected dimensions are the $k$ leading principal components. These optima inspire PRIM-based bump-hunting algorithms either by minimizing variance or by minimizing volume, thereby motivating an NFLT. We test our results on the Fashion-MNIST database, showing that peeling the largest principal components captures multiplicity, while peeling the smallest principal components isolates popular styles.

Sketch techniques have been extensively studied in recent years and are especially well-suited to data streaming scenarios, where the sketch summary is updated quickly and compactly. However, it is challenging to recover the current state from these summaries in a way that is accurate, fast, and real. In this paper, we seek a solution that reconciles this tension, aiming for near-perfect recovery with lightweight computational procedures. Focusing on linear sketching problems of the form $\boldsymbolΦf \rightarrow f$, our study proceeds in three stages. First, we dissect existing techniques and show the root cause of the sketching dilemma: an orthogonal information loss. Second, we examine how generative priors can be leveraged to bridge the information gap. Third, we propose FLORE, a novel generative sketching framework that embraces these analyses to achieve the best of all worlds. More importantly, FLORE can be trained without access to ground-truth data. Comprehensive evaluations demonstrate FLORE's ability to provide high-quality recovery, and support summary with low computing overhead, outperforming previous methods by up to 1000 times in error reduction and 100 times in processing speed compared to learning-based solutions.

Unsupervised representations are widely assumed to be neutral with respect to sensitive attributes when those attributes are withheld from training. We show that this assumption is false. Using SOMtime, a topology-preserving representation method based on high-capacity Self-Organizing Maps, we demonstrate that sensitive attributes such as age and income emerge as dominant latent axes in purely unsupervised embeddings, even when explicitly excluded from the input. On two large-scale real-world datasets (the World Values Survey across five countries and the Census-Income dataset), SOMtime recovers monotonic orderings aligned with withheld sensitive attributes, achieving Spearman correlations of up to 0.85, whereas PCA and UMAP typically remain below 0.23 (with a single exception reaching 0.31), and against t-SNE and autoencoders which achieve at most 0.34. Furthermore, unsupervised segmentation of SOMtime embeddings produces demographically skewed clusters, demonstrating downstream fairness risks without any supervised task. These findings establish that \textit{fairness through unawareness} fails at the representation level for ordinal sensitive attributes and that fairness auditing must extend to unsupervised components of machine learning pipelines. We have made the code available at~ https://github.com/JosephBingham/SOMtime

As unsupervised pretraining becomes increasingly ubiquitous in reinforcement learning, a more thorough theoretical understanding of these methods becomes of equal importance to their empirical success. We focus on the setting of unsupervised learning via interaction, where the forward-backward (FB) representation learning serves as a prototypical and popular example. In this paper, we shed light on FB by formally contextualizing the method within a broader class of recent methods that use regression to obtain a low-rank approximation of a successor measure ratio. Our analysis clarifies when FB representations can exist and how the low-rank approximation converges in practice. Building upon the theory, we propose a variant of FB that is both more amenable to theoretical understanding and simpler to optimize in practice. Experiments in didactic settings, as well as in $10$ state-based and image-based continuous control domains, demonstrate that our method converges to desired representations with $10^5 \times$ smaller errors than FB, achieving $+24\%$ improved zero-shot performance on average. We also demonstrate that zero-shot policies inferred by our algorithm provide an efficient initialization if the user prefers further fine-tuning on downstream tasks. Our project website is available at https://chongyi-zheng.github.io/onestep-fb.

The unsupervised discovery of features that are both semantically meaningful and stable across runs remains a central challenge in representation learning. We introduce entropy-ordered flows (EOFlows), a normalizing flow (NF) framework that augments standard maximum likelihood training with an orthogonality regularizer on the decoder Jacobian. The regularizer is rooted in Independent Mechanism Analysis and encourages geometric disentanglement, and a stochastic estimator makes it tractable at image scale (CelebA at $D=2352$ and $12288$). Learned features form near-orthogonal curvilinear coordinates and can be ordered by their $\textit{explained (manifold) entropy}$ after training, analogous to the ranking by explained variance in PCA, which turns EOFlows into a non-linear generalization of PCA. EOFlows identify an order of magnitude more stable features than existing methods, and these features emerge in distinguishable categories (global, local, and generic) and support tentative semantic interpretations. The local features have strikingly sparse support in pixel space, although our method never enforces this. Retaining only the most important, i.e. highest entropy, features turns the bijective flow into an autoencoder with adjustable bottleneck, rivaling the rate-distortion performance of dedicated autoencoders.

Joint-embedding self-supervised learning (SSL), the key paradigm for unsupervised representation learning from visual data, learns from invariances between semantically-related data pairs. We study the one-to-many mapping problem in SSL, where each datum may be mapped to multiple valid targets. This arises when data pairs come from naturally occurring generative processes, e.g., successive video frames. We show that existing methods struggle to flexibly capture this conditional uncertainty. As a remedy, we introduce a latent variable to account for this uncertainty and derive a variational lower bound on the mutual information between paired embeddings. Our derivation yields a simple regularization term for standard SSL objectives. The resulting method, which we call AdaSSL, applies to both contrastive and distillation-based SSL objectives, and we empirically show its versatility in causal representation learning, fine-grained image understanding, and world modeling on videos.

A central problem in self-supervised learning is preventing representation collapse. Most methods avoid it through global mechanisms, such as contrastive expansion, variance constraints, decorrelating dimensions, or enforcing certain output distributions. In this work, we study a different design: short-range repulsion. We introduce Hypersolid, a self-supervised objective that combines view alignment with local collision avoidance. Our method induces a latent geometry of compact, semantically aligned neighborhoods with low anisotropy. This geometry is especially effective for unsupervised clustering and fine-grained separation, although it comes at the cost of weaker transferability.

In unsupervised learning, the training data for deep learning does not come with any labels, thus forcing the algorithm to discover hidden patterns in the data for discerning useful information. This, in principle, could be a powerful tool in identifying topological order since topology does not always manifest in obvious physical ways (e.g., topological superconductivity) for its decisive confirmation. The problem, however, is that unsupervised learning is a difficult challenge, necessitating huge computing resources, which may not always work. In the current work, we combine unsupervised and supervised learning to establish that unlabeled (simulated) data in the Majorana splitting in realistic short disordered nanowires may enable not only a distinction between topological' and trivial', but also where their crossover happens in the relevant parameter space. This may be a useful tool in identifying topology in experimental Majorana nanowires.

Large Language Models (LLMs) often produce inconsistent answers when faced with different phrasings of the same prompt. In this paper, we propose Flip-Flop Consistency ($F^2C$), an unsupervised training method that improves robustness to such perturbations. $F^2C$ is composed of two key components. The first, Consensus Cross-Entropy (CCE), uses a majority vote across prompt variations to create a hard pseudo-label. The second is a representation alignment loss that pulls lower-confidence and non-majority predictors toward the consensus established by high-confidence, majority-voting variations. We evaluate our method on 11 datasets spanning four NLP tasks, with 4-15 prompt variations per dataset. On average, $F^2C$ raises observed agreement by 11.62%, improves mean $F_1$ by 8.94%, and reduces performance variance across formats by 3.29%. In out-of-domain evaluations, $F^2C$ generalizes effectively, increasing $\overline{F_1}$ and agreement while decreasing variance across most source-target pairs. Finally, when trained on only a subset of prompt perturbations and evaluated on held-out formats, $F^2C$ consistently improves both performance and agreement while reducing variance. These findings highlight $F^2C$ as an effective unsupervised method for enhancing LLM consistency, performance, and generalization under prompt perturbations. Code is available at https://github.com/ParsaHejabi/Flip-Flop-Consistency-Unsupervised-Training-for-Robustness-to-Prompt-Perturbations-in-LLMs.

Unsupervised feature selection is critical for improving clustering performance in high-dimensional data, where irrelevant features can obscure meaningful structure. In this work, we propose the Minkowski weighted $k$-means++, a novel initialisation strategy for the Minkowski Weighted $k$-means. Our initialisation selects centroids probabilistically using feature relevance estimates derived from the data itself. Building on this, we propose two new feature selection algorithms, FS-MWK++, which aggregates feature weights across a range of Minkowski exponents identifying stable and informative features, and SFS-MWK++, a scalable variant based on subsampling. We support our approach with a theoretical analysis, demonstrating that, under explicit assumptions on noise features and cluster structure, relevant features are assigned consistently higher weights than noise features across a range of Minkowski exponents. Our software can be found at https://github.com/xzhang4-ops1/FSMWK.