Daily Papers

Pre-training large language models is dominated by the memory cost of storing full-rank weights, gradients, and optimizer states. Low-rank pre-training has emerged to address this, and the space of methods has grown rapidly. A central question remains open: do low-rank methods produce models that generalize comparably to full-rank training, or does the rank constraint fundamentally alter the solutions reached? Existing comparisons rely almost entirely on validation perplexity from single-seed runs, often carried forward from prior literature. Yet perplexity is a poor proxy for solution quality; two methods can match on perplexity while converging to different loss landscape regions and internal representations. We close this gap by characterizing the solutions found by five low-rank pre-training methods, GaLore and Fira (memory-efficient optimizers), CoLA and SLTrain (architecture reparameterizations), and ReLoRA (adapter-style updates with periodic resets), against full-rank training at three model scales (60M, 130M, 350M). We evaluate each along 16 metrics across four dimensions: 1-D loss landscape along random/top-K PCA directions, 1-D interpolation between checkpoints, spectral structure of the weights and learned updates, and activation similarity to full-rank training. We show that low-rank methods are not equivalent to full-rank training, nor to one another, even when validation perplexity is close. Full-rank training settles into a sharper basin than low-rank methods along random directions, while the reverse holds for the top-1 PCA direction. Each method converges to a geometrically distinct basin. Low-rank activations diverge from full-rank in later layers as training progresses, with GaLore tracking full-rank most closely. Further, validation perplexity does not translate to downstream performance at every scale. Adding geometric and spectral metrics improves the prediction.

With the proliferation of the Internet of Things (IoT) and the rising interconnectedness of devices, network security faces significant challenges, especially from anomalous activities. While traditional machine learning-based intrusion detection systems (ML-IDS) effectively employ supervised learning methods, they possess limitations such as the requirement for labeled data and challenges with high dimensionality. Recent unsupervised ML-IDS approaches such as AutoEncoders and Generative Adversarial Networks (GAN) offer alternative solutions but pose challenges in deployment onto resource-constrained IoT devices and in interpretability. To address these concerns, this paper proposes a novel federated unsupervised anomaly detection framework, FedPCA, that leverages Principal Component Analysis (PCA) and the Alternating Directions Method Multipliers (ADMM) to learn common representations of distributed non-i.i.d. datasets. Building on the FedPCA framework, we propose two algorithms, FEDPE in Euclidean space and FEDPG on Grassmann manifolds. Our approach enables real-time threat detection and mitigation at the device level, enhancing network resilience while ensuring privacy. Moreover, the proposed algorithms are accompanied by theoretical convergence rates even under a subsampling scheme, a novel result. Experimental results on the UNSW-NB15 and TON-IoT datasets show that our proposed methods offer performance in anomaly detection comparable to nonlinear baselines, while providing significant improvements in communication and memory efficiency, underscoring their potential for securing IoT networks.

Pre-trained language models (PLMs) are widely used to derive semantic representations from item metadata in recommendation and search. In sequential recommendation, PLMs enhance ID-based embeddings through textual metadata, while in product search, they align item characteristics with user intent. Recent studies suggest task and domain-specific fine-tuning are needed to improve representational power. This paper challenges this assumption, showing that Generalist Text Embedding Models (GTEs), pre-trained on large-scale corpora, can guarantee strong zero-shot performance without specialized adaptation. Our experiments demonstrate that GTEs outperform traditional and fine-tuned models in both sequential recommendation and product search. We attribute this to a superior representational power, as they distribute features more evenly across the embedding space. Finally, we show that compressing embedding dimensions by focusing on the most informative directions (e.g., via PCA) effectively reduces noise and improves the performance of specialized models. To ensure reproducibility, we provide our repository at https://split.to/gte4ps.

Instruction tuning aligns large language models, including multimodal ones, with diverse user intents, but scaling to heterogeneous mixtures is hindered by gradient interference and bandwidth-heavy synchronization. We ask whether these two bottlenecks can be addressed jointly by training parts of the mixture independently and reconciling them once in parameter space. We develop a local quadratic theory inside a shared flat basin that yields three results: weight merging produces a curvature-weighted variance reduction; PCA-aligned conflict splitting maximizes this gain along high-curvature directions; and merging additionally acts as spectral filtering with implicit norm regularization. These results directly motivate MERIT, a decentralized merge-ready instruction-tuning pipeline that estimates dataset-level gradient conflicts, partitions the mixture along the top PCA conflict axes, fine-tunes each partition independently with no inter-partition communication, and merges once via token-weighted averaging. On Qwen2.5-VL-3B with 136 Vision-FLAN tasks, MERIT improves the 8-benchmark average from 54.3 (joint training) to 57.0. The same recipe scales to a 7B model on a 1.6M-example, 176-source mixture -- matching or exceeding centralized joint training with minimal cost overhead -- and transfers to text-only FLAN. Our code is available at https://github.com/naver-ai/merit.

Understanding and controlling the behavior of large language models (LLMs) is an increasingly important topic in multilingual NLP. Beyond prompting or fine-tuning, , i.e.,~manipulating internal representations during inference, has emerged as a more efficient and interpretable technique for adapting models to a target language. Yet, no dedicated benchmarks or evaluation protocols exist to quantify the effectiveness of steering techniques. We introduce CLaS-Bench, a lightweight parallel-question benchmark for evaluating language-forcing behavior in LLMs across 32 languages, enabling systematic evaluation of multilingual steering methods. We evaluate a broad array of steering techniques, including residual-stream DiffMean interventions, probe-derived directions, language-specific neurons, PCA/LDA vectors, Sparse Autoencoders, and prompting baselines. Steering performance is measured along two axes: language control and semantic relevance, combined into a single harmonic-mean steering score. We find that across languages simple residual-based DiffMean method consistently outperforms all other methods. Moreover, a layer-wise analysis reveals that language-specific structure emerges predominantly in later layers and steering directions cluster based on language family. CLaS-Bench is the first standardized benchmark for multilingual steering, enabling both rigorous scientific analysis of language representations and practical evaluation of steering as a low-cost adaptation alternative.

Principal component analysis (PCA) is a mainstay of modern data analysis - a black box that is widely used but (sometimes) poorly understood. The goal of this paper is to dispel the magic behind this black box. This manuscript focuses on building a solid intuition for how and why principal component analysis works. This manuscript crystallizes this knowledge by deriving from simple intuitions, the mathematics behind PCA. This tutorial does not shy away from explaining the ideas informally, nor does it shy away from the mathematics. The hope is that by addressing both aspects, readers of all levels will be able to gain a better understanding of PCA as well as the when, the how and the why of applying this technique.

One technique to visualize the training of neural networks is to perform PCA on the parameters over the course of training and to project to the subspace spanned by the first few PCA components. In this paper we compare this technique to the PCA of a high dimensional random walk. We compute the eigenvalues and eigenvectors of the covariance of the trajectory and prove that in the long trajectory and high dimensional limit most of the variance is in the first few PCA components, and that the projection of the trajectory onto any subspace spanned by PCA components is a Lissajous curve. We generalize these results to a random walk with momentum and to an Ornstein-Uhlenbeck processes (i.e., a random walk in a quadratic potential) and show that in high dimensions the walk is not mean reverting, but will instead be trapped at a fixed distance from the minimum. We finally compare the distribution of PCA variances and the PCA projected training trajectories of a linear model trained on CIFAR-10 and ResNet-50-v2 trained on Imagenet and find that the distribution of PCA variances resembles a random walk with drift.

Principal Component Analysis (PCA) is a popular tool for dimensionality reduction and feature extraction in data analysis. There is a probabilistic version of PCA, known as Probabilistic PCA (PPCA). However, standard PCA and PPCA are not robust, as they are sensitive to outliers. To alleviate this problem, this paper introduces the Self-Paced Learning mechanism into PPCA, and proposes a novel method called Self-Paced Probabilistic Principal Component Analysis (SP-PPCA). Furthermore, we design the corresponding optimization algorithm based on the alternative search strategy and the expectation-maximization algorithm. SP-PPCA looks for optimal projection vectors and filters out outliers iteratively. Experiments on both synthetic problems and real-world datasets clearly demonstrate that SP-PPCA is able to reduce or eliminate the impact of outliers.

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly defined as the locus of points which are weighted means of k+1 reference points. As this definition relies on points and not on tangent vectors, it can also be extended to geodesic spaces which are not Riemannian. For instance, in stratified spaces, it naturally allows principal subspaces that span several strata, which is impossible in previous generalizations of PCA. We show that barycentric subspaces locally define a submanifold of dimension k which generalizes geodesic subspaces.Second, we rephrase PCA in Euclidean spaces as an optimization on flags of linear subspaces (a hierarchy of properly embedded linear subspaces of increasing dimension). We show that the Euclidean PCA minimizes the Accumulated Unexplained Variances by all the subspaces of the flag (AUV). Barycentric subspaces are naturally nested, allowing the construction of hierarchically nested subspaces. Optimizing the AUV criterion to optimally approximate data points with flags of affine spans in Riemannian manifolds lead to a particularly appealing generalization of PCA on manifolds called Barycentric Subspaces Analysis (BSA).

Principal component analysis (PCA) is a tool to capture factors that explain variation in data. Across domains, data are now collected across multiple contexts (for example, individuals with different diseases, cells of different types, or words across texts). While the factors explaining variation in data are undoubtedly shared across subsets of contexts, no tools currently exist to systematically recover such factors. We develop multi-context principal component analysis (MCPCA), a theoretical and algorithmic framework that decomposes data into factors shared across subsets of contexts. Applied to gene expression, MCPCA reveals axes of variation shared across subsets of cancer types and an axis whose variability in tumor cells, but not mean, is associated with lung cancer progression. Applied to contextualized word embeddings from language models, MCPCA maps stages of a debate on human nature, revealing a discussion between science and fiction over decades. These axes are not found by combining data across contexts or by restricting to individual contexts. MCPCA is a principled generalization of PCA to address the challenge of understanding factors underlying data across contexts.

In this article, we develop an asymptotic method for constructing confidence regions for the set of all linear subspaces arising from PCA, from which we derive hypothesis tests on this set. Our method is based on the geometry of Riemannian manifolds with which some sets of linear subspaces are endowed.

We analyze the Accelerated Noisy Power Method, an algorithm for Principal Component Analysis in the setting where only inexact matrix-vector products are available, which can arise for instance in decentralized PCA. While previous works have established that acceleration can improve convergence rates compared to the standard Noisy Power Method, these guarantees require overly restrictive upper bounds on the magnitude of the perturbations, limiting their practical applicability. We provide an improved analysis of this algorithm, which preserves the accelerated convergence rate under much milder conditions on the perturbations. We show that our new analysis is worst-case optimal, in the sense that the convergence rate cannot be improved, and that the noise conditions we derive cannot be relaxed without sacrificing convergence guarantees. We demonstrate the practical relevance of our results by deriving an accelerated algorithm for decentralized PCA, which has similar communication costs to non-accelerated methods. To our knowledge, this is the first decentralized algorithm for PCA with provably accelerated convergence.

We study principal component analysis (PCA), where given a dataset in R^d from a distribution, the task is to find a unit vector v that approximately maximizes the variance of the distribution after being projected along v. Despite being a classical task, standard estimators fail drastically if the data contains even a small fraction of outliers, motivating the problem of robust PCA. Recent work has developed computationally-efficient algorithms for robust PCA that either take super-linear time or have sub-optimal error guarantees. Our main contribution is to develop a nearly-linear time algorithm for robust PCA with near-optimal error guarantees. We also develop a single-pass streaming algorithm for robust PCA with memory usage nearly-linear in the dimension.

Denoising Diffusion Models (DDMs) have emerged as a strong competitor to Generative Adversarial Networks (GANs). However, despite their widespread use in image synthesis and editing applications, their latent space is still not as well understood. Recently, a semantic latent space for DDMs, coined `h-space', was shown to facilitate semantic image editing in a way reminiscent of GANs. The h-space is comprised of the bottleneck activations in the DDM's denoiser across all timesteps of the diffusion process. In this paper, we explore the properties of h-space and propose several novel methods for finding meaningful semantic directions within it. We start by studying unsupervised methods for revealing interpretable semantic directions in pretrained DDMs. Specifically, we show that global latent directions emerge as the principal components in the latent space. Additionally, we provide a novel method for discovering image-specific semantic directions by spectral analysis of the Jacobian of the denoiser w.r.t. the latent code. Next, we extend the analysis by finding directions in a supervised fashion in unconditional DDMs. We demonstrate how such directions can be found by relying on either a labeled data set of real images or by annotating generated samples with a domain-specific attribute classifier. We further show how to semantically disentangle the found direction by simple linear projection. Our approaches are applicable without requiring any architectural modifications, text-based guidance, CLIP-based optimization, or model fine-tuning.

Recent space-borne and ground-based observations provide photometric measurements as time series. The effect of interstellar dust extinction in the near-infrared range is only 10% of that measured in the V band. However, the sensitivity of the light curve shape to the physical parameters in the near-infrared is much lower. So, interpreting these types of data sets requires new approaches like the different large-scale surveys, which create similar problems with big data. Using a selected data set, we provide a method for applying routines implemented in R to extract most information of measurements to determine physical parameters, which can also be used in automatic classification schemes and pipeline processing. We made a multivariate classification of 131 Cepheid light curves (LC) in J, H, and K colors, where all the LCs were represented in 20D parameter space in these colors separately. Performing a Principal Component Analysis (PCA), we got an orthogonal coordinate system and squared Euclidean distances between LCs, with 6 significant eigenvalues, reducing the 20-dimension to 6. We also estimated the optimal number of partitions of similar objects and found it to be equal to 7 in each color; their dependence on the period, absolute magnitude, amplitude, and metallicity are also discussed. We computed the Spearman rank correlations, showing that periods and absolute magnitudes correlate with the first three PCs significantly. The first two PC are also found to have a relationship with the amplitude, but the metallicity effects are only marginal. The method shown can be generalized and implemented in unsupervised classification schemes and analysis of mixed and biased samples. The analysis of our Classical Cepheid near-infrared LC sample showed that the J, H, K curves are insufficient for determination of stellar metallicity, with mass being the key factor shaping them.

Finding interpretable directions in language-model representations is critical for understanding and controlling model behavior. Sparse autoencoders (SAEs) have become the standard tool for this purpose, but using them as the default first lens often requires training, storing, and evaluating large overcomplete dictionaries. This bottleneck limits rapid exploration and raises a fundamental question: how much interpretable structure is already visible from activation geometry before training another neural dictionary? Our intuition is simple: many interpretable directions are selective on tokens, and these directions should look less Gaussian than random directions. We therefore revisit independent component analysis (ICA), a classical method for finding non-Gaussian directions, as a compact lens for language-model interpretability. We find that ICA has been underestimated for LLM interpretability, because prior uses often relied on off-the-shelf ICA implementations that are brittle on LLM activations and lacked systematic tools for inspecting and evaluating the recovered directions. To bridge these gaps, we introduce ICALens, the first practical workflow for stable, efficient, and auditable ICA analysis of LLM representations. It combines an optimized GPU-parallel FastICA pipeline with LLM-specific stability recipes and better fitting diagnostics, enabling efficient and reliable layer-wise analysis. Across GPT-2 Small, Gemma 2 2B, and Qwen 3.5 2B Base, ICALens efficiently recovers compact, human-interpretable directions without per-layer gradient-based dictionary training. On SAEBench, ICA is competitive with public SAEs in sparse probing and outperforms them in targeted probe perturbation under small-to-medium budgets. These results suggest that ICA should not be viewed as a weak baseline, but as an efficient and complementary first lens for exploring language-model representations.

Existing point cloud completion methods struggle to balance high-quality reconstruction with computational efficiency. To address this, we propose PPC-MT, a novel parallel framework for point cloud completion leveraging a hybrid Mamba-Transformer architecture. Our approach introduces an innovative parallel completion strategy guided by Principal Component Analysis (PCA), which imposes a geometrically meaningful structure on unordered point clouds, transforming them into ordered sets and decomposing them into multiple subsets. These subsets are reconstructed in parallel using a multi-head reconstructor. This structured parallel synthesis paradigm significantly enhances the uniformity of point distribution and detail fidelity, while preserving computational efficiency. By integrating Mamba's linear complexity for efficient feature extraction during encoding with the Transformer's capability to model fine-grained multi-sequence relationships during decoding, PPC-MT effectively balances efficiency and reconstruction accuracy. Extensive quantitative and qualitative experiments on benchmark datasets, including PCN, ShapeNet-55/34, and KITTI, demonstrate that PPC-MT outperforms state-of-the-art methods across multiple metrics, validating the efficacy of our proposed framework.

By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.

A principal component analysis of the TCGA data for 15 cancer localizations unveils the following qualitative facts about tumors: 1) The state of a tissue in gene expression space may be described by a few variables. In particular, there is a single variable describing the progression from a normal tissue to a tumor. 2) Each cancer localization is characterized by a gene expression profile, in which genes have specific weights in the definition of the cancer state. There are no less than 2500 differentially-expressed genes, which lead to power-like tails in the expression distribution functions. 3) Tumors in different localizations share hundreds or even thousands of differentially expressed genes. There are 6 genes common to the 15 studied tumor localizations. 4) The tumor region is a kind of attractor. Tumors in advanced stages converge to this region independently of patient age or genetic variability. 5) There is a landscape of cancer in gene expression space with an approximate border separating normal tissues from tumors.

In this paper, we study the problem of principal component analysis with generative modeling assumptions, adopting a general model for the observed matrix that encompasses notable special cases, including spiked matrix recovery and phase retrieval. The key assumption is that the underlying signal lies near the range of an L-Lipschitz continuous generative model with bounded k-dimensional inputs. We propose a quadratic estimator, and show that it enjoys a statistical rate of order frac{klog L{m}}, where m is the number of samples. We also provide a near-matching algorithm-independent lower bound. Moreover, we provide a variant of the classic power method, which projects the calculated data onto the range of the generative model during each iteration. We show that under suitable conditions, this method converges exponentially fast to a point achieving the above-mentioned statistical rate. We perform experiments on various image datasets for spiked matrix and phase retrieval models, and illustrate performance gains of our method to the classic power method and the truncated power method devised for sparse principal component analysis.

Domain Generalization (DG) aims to learn representations robust to distribution shifts. Recent geometric alignment methods, such as CPCANet, extract domain-invariant structures through batch-wise Common Principal Component Analysis (CPCA). However, CPCANet suffers from rank-deficient covariance estimation due to the small-sample-size issue in mini-batch training. To address this limitation, we propose Projection Pursuit CPCANet (PP-CPCANet), a covariance-free framework that learns a global orthogonal basis on the Stiefel manifold and jointly optimizes it with network parameters via the Cayley transform. We further introduce a symmetry-breaking detached-median PP dispersion objective to extract common principal components (CPCs) with dense and robust optimization signals. Experiments on four DG benchmarks show that PP-CPCANet achieves SOTA performance while maintaining stable training.

The recent introduction of synthetic correlated diffusion (CDI^s) imaging has demonstrated significant potential in the realm of clinical decision support for prostate cancer (PCa). CDI^s is a new form of magnetic resonance imaging (MRI) designed to characterize tissue characteristics through the joint correlation of diffusion signal attenuation across different Brownian motion sensitivities. Despite the performance improvement, the CDI^s data for PCa has not been previously made publicly available. In our commitment to advance research efforts for PCa, we introduce Cancer-Net PCa-Data, an open-source benchmark dataset of volumetric CDI^s imaging data of PCa patients. Cancer-Net PCa-Data consists of CDI^s volumetric images from a patient cohort of 200 patient cases, along with full annotations (gland masks, tumor masks, and PCa diagnosis for each tumor). We also analyze the demographic and label region diversity of Cancer-Net PCa-Data for potential biases. Cancer-Net PCa-Data is the first-ever public dataset of CDI^s imaging data for PCa, and is a part of the global open-source initiative dedicated to advancement in machine learning and imaging research to aid clinicians in the global fight against cancer.

Low-Rank Adaptation (LoRA) merging can efficiently combine diverse generative capabilities from multiple trained LoRAs for a diffusion model. However, existing LoRA merging techniques often suffer from severe parameter interference, causing destructive collisions in the shared parameter space. To address this, we propose Subspace Signal Routing (SSR), which resolves interference by routing internal signals instead of performing parameter-space merge. Specifically, SSR first constructs a unified subspace by concatenating candidate LoRAs along the rank dimension. Next, SSR employs an inverse correlation matrix to decorrelate mixed signals within this space. Finally, a directional guide matrix steers these purified signals into their respective task-specific subspaces. We provide a rigorous theoretical analysis proving that SSR aligns with the Ordinary Least Squares (OLS) solution, thereby ensuring mathematical optimality. We utilize the additivity of sufficient statistics to design a streaming algorithm. This enables on-the-fly updates that significantly reduce memory overhead and computation time. Extensive experiments validate that SSR significantly outperforms state-of-the-art methods while maintaining comparable efficiency. Code is available at https://github.com/nagara214/SSR-Merge.

The rapidly growing field of single-cell transcriptomic sequencing (scRNAseq) presents challenges for data analysis due to its massive datasets. A common method in manifold learning consists in hypothesizing that datasets lie on a lower dimensional manifold. This allows to study the geometry of point clouds by extracting meaningful descriptors like curvature. In this work, we will present Adaptive Local PCA (AdaL-PCA), a data-driven method for accurately estimating various notions of intrinsic curvature on data manifolds, in particular principal curvatures for surfaces. The model relies on local PCA to estimate the tangent spaces. The evaluation of AdaL-PCA on sampled surfaces shows state-of-the-art results. Combined with a PHATE embedding, the model applied to single-cell RNA sequencing data allows us to identify key variations in the cellular differentiation.

Detecting visual anomalies in industrial inspection often requires training with only a few normal images per category. Recent few-shot methods achieve strong results employing foundation-model features, but typically rely on memory banks, auxiliary datasets, or multi-modal tuning of vision-language models. We therefore question whether such complexity is necessary given the feature representations of vision foundation models. To answer this question, we introduce SubspaceAD, a training-free method, that operates in two simple stages. First, patch-level features are extracted from a small set of normal images by a frozen DINOv2 backbone. Second, a Principal Component Analysis (PCA) model is fit to these features to estimate the low-dimensional subspace of normal variations. At inference, anomalies are detected via the reconstruction residual with respect to this subspace, producing interpretable and statistically grounded anomaly scores. Despite its simplicity, SubspaceAD achieves state-of-the-art performance across one-shot and few-shot settings without training, prompt tuning, or memory banks. In the one-shot anomaly detection setting, SubspaceAD achieves image-level and pixel-level AUROC of 97.1% and 97.5% on the MVTec-AD dataset, and 93.4% and 98.2% on the VisA dataset, respectively, surpassing prior state-of-the-art results. Code and demo are available at https://github.com/CLendering/SubspaceAD.

Identifying low-dimensional latent structures within high-dimensional data has long been a central topic in the machine learning community, driven by the need for data compression, storage, transmission, and deeper data understanding. Traditional methods, such as principal component analysis (PCA) and autoencoders (AE), operate in an unsupervised manner, ignoring label information even when it is available. In this work, we introduce a unified method capable of learning latent spaces in both unsupervised and supervised settings. We formulate the problem as a nonlinear multiple-response regression within an index model context. By applying the generalized Stein's lemma, the latent space can be estimated without knowing the nonlinear link functions. Our method can be viewed as a nonlinear generalization of PCA. Moreover, unlike AE and other neural network methods that operate as "black boxes", our approach not only offers better interpretability but also reduces computational complexity while providing strong theoretical guarantees. Comprehensive numerical experiments and real data analyses demonstrate the superior performance of our method.

In this paper we demonstrate how sub-Riemannian geometry can be used for manifold learning and surface reconstruction by combining local linear approximations of a point cloud to obtain lower dimensional bundles. Local approximations obtained by local PCAs are collected into a rank k tangent subbundle on R^d, k<d, which we call a principal subbundle. This determines a sub-Riemannian metric on R^d. We show that sub-Riemannian geodesics with respect to this metric can successfully be applied to a number of important problems, such as: explicit construction of an approximating submanifold M, construction of a representation of the point-cloud in R^k, and computation of distances between observations, taking the learned geometry into account. The reconstruction is guaranteed to equal the true submanifold in the limit case where tangent spaces are estimated exactly. Via simulations, we show that the framework is robust when applied to noisy data. Furthermore, the framework generalizes to observations on an a priori known Riemannian manifold.

When a long-horizon agent execution fails, outcome-level evaluation reveals the unsuccessful result but not where the decisive error entered the trajectory. Developers must then inspect the full execution to identify the responsible role and localize the earliest decisive root-cause step. Existing failure-attribution benchmarks largely focus on shorter traces, leaving diagnosis across hundreds of recorded steps underexplored. We introduce LongRCA Bench, comprising 1,140 failed trajectories across five domains without injected errors. It provides independently scored human labels for the responsible role and earliest decisive root-cause step. The median trajectory contains 145 steps, and the strongest baseline reaches only 13.2% exact root-step accuracy. We further present Root-Cause Trajectory Attribution (RCTA), a training-free method that retrieves candidate error steps from segment summaries and traces them to available earlier handoff instructions. Using the same backbone, benchmark instances, and scoring protocol, RCTA reaches 51.1% responsible-role accuracy and 24.1% exact root-step accuracy. These results highlight the need to evaluate responsible-role attribution and exact root-step localization as separate targets in long-trajectory failure diagnosis.

Respiratory motion complicates accurate irradiation of thoraco-abdominal tumors during radiotherapy, as treatment-system latency entails target-location uncertainties. This work addresses frame forecasting in chest and liver cine MRI to compensate for such delays. We investigate RNNs trained with online learning algorithms, enabling adaptation to changing respiratory patterns via on-the-fly parameter updates, and transformers, increasingly common in time-series forecasting for their ability to capture long-term dependencies. Experiments used 12 sagittal thoracic and upper-abdominal cine-MRI sequences from ETH Zürich and OvGU; the OvGU data exhibited higher motion variability, noise, and lower contrast. PCA decomposes the Lucas-Kanade optical-flow field into static deformation modes and low-dimensional, time-dependent weights. We compare various methods for forecasting these weights: linear filters, population and sequence-specific transformer encoders, and RNNs trained with real-time recurrent learning (RTRL), unbiased online recurrent optimization, decoupled neural interfaces, and sparse one-step approximation (SnAp-1). Predicted displacements were used to warp the reference frame and generate future images. Prediction accuracy decreased with the horizon h. Linear regression performed best at short horizons (1.3mm geometrical error at h=0.32s, ETH Zürich dataset), while RTRL and SnAp-1 outperformed the other algorithms at medium-to-long horizons, with geometrical errors below 1.4mm and 2.8mm on the sequences from ETH Zürich and OvGU, respectively. The sequence-specific transformer was competitive for low-to-medium horizons, but transformers remained overall limited by data scarcity and domain shift between datasets. Predicted frames visually resembled the ground truth, with notable errors occurring near the diaphragm at end-inspiration and regions affected by out-of-plane motion.

Anti-Money Laundering (AML) is a crucial task in ensuring the integrity of financial systems. One keychallenge in AML is identifying high-risk groups based on their behavior. Unsupervised learning, particularly clustering, is a promising solution for this task. However, the use of hundreds of features todescribe behavior results in a highdimensional dataset that negatively impacts clustering performance.In this paper, we investigate the effectiveness of combining clustering method agglomerative hierarchicalclustering with four dimensionality reduction techniques -Independent Component Analysis (ICA), andKernel Principal Component Analysis (KPCA), Singular Value Decomposition (SVD), Locality Preserving Projections (LPP)- to overcome the issue of high-dimensionality in AML data and improve clusteringresults. This study aims to provide insights into the most effective way of reducing the dimensionality ofAML data and enhance the accuracy of clustering-based AML systems. The experimental results demonstrate that KPCA outperforms other dimension reduction techniques when combined with agglomerativehierarchical clustering. This superiority is observed in the majority of situations, as confirmed by threedistinct validation indices.

This paper introduces Least Volume-a simple yet effective regularization inspired by geometric intuition-that can reduce the necessary number of latent dimensions needed by an autoencoder without requiring any prior knowledge of the intrinsic dimensionality of the dataset. We show that the Lipschitz continuity of the decoder is the key to making it work, provide a proof that PCA is just a linear special case of it, and reveal that it has a similar PCA-like importance ordering effect when applied to nonlinear models. We demonstrate the intuition behind the regularization on some pedagogical toy problems, and its effectiveness on several benchmark problems, including MNIST, CIFAR-10 and CelebA.

We tackle the problem of estimating a Manhattan frame, i.e. three orthogonal vanishing points, and the unknown focal length of the camera, leveraging a prior vertical direction. The direction can come from an Inertial Measurement Unit that is a standard component of recent consumer devices, e.g., smartphones. We provide an exhaustive analysis of minimal line configurations and derive two new 2-line solvers, one of which does not suffer from singularities affecting existing solvers. Additionally, we design a new non-minimal method, running on an arbitrary number of lines, to boost the performance in local optimization. Combining all solvers in a hybrid robust estimator, our method achieves increased accuracy even with a rough prior. Experiments on synthetic and real-world datasets demonstrate the superior accuracy of our method compared to the state of the art, while having comparable runtimes. We further demonstrate the applicability of our solvers for relative rotation estimation. The code is available at https://github.com/cvg/VP-Estimation-with-Prior-Gravity.

In the era of Internet of Things (IoT), network-wide anomaly detection is a crucial part of monitoring IoT networks due to the inherent security vulnerabilities of most IoT devices. Principal Components Analysis (PCA) has been proposed to separate network traffics into two disjoint subspaces corresponding to normal and malicious behaviors for anomaly detection. However, the privacy concerns and limitations of devices' computing resources compromise the practical effectiveness of PCA. We propose a federated PCA-based Grassmannian optimization framework that coordinates IoT devices to aggregate a joint profile of normal network behaviors for anomaly detection. First, we introduce a privacy-preserving federated PCA framework to simultaneously capture the profile of various IoT devices' traffic. Then, we investigate the alternating direction method of multipliers gradient-based learning on the Grassmann manifold to guarantee fast training and the absence of detecting latency using limited computational resources. Empirical results on the NSL-KDD dataset demonstrate that our method outperforms baseline approaches. Finally, we show that the Grassmann manifold algorithm is highly adapted for IoT anomaly detection, which permits drastically reducing the analysis time of the system. To the best of our knowledge, this is the first federated PCA algorithm for anomaly detection meeting the requirements of IoT networks.

A basic algorithmic task in automated video surveillance is to separate background and foreground objects. Camera tampering, noisy videos, low frame rate, etc., pose difficulties in solving the problem. A general approach that classifies the tampered frames, and performs subsequent analysis on the remaining frames after discarding the tampered ones, results in loss of information. Several robust methods based on robust principal component analysis (PCA) have been introduced to solve this problem. To date, considerable effort has been expended to develop robust PCA via Principal Component Pursuit (PCP) methods with reduced computational cost and visually appealing foreground detection. However, the convex optimizations used in these algorithms do not scale well to real-world large datasets due to large matrix inversion steps. Also, an integral component of these foreground detection algorithms is singular value decomposition which is nonrobust. In this paper, we present a new video surveillance background modelling algorithm based on a new robust singular value decomposition technique rSVDdpd which takes care of both these issues. We also demonstrate the superiority of our proposed algorithm on a benchmark dataset and a new real-life video surveillance dataset in the presence of camera tampering. Software codes and additional illustrations are made available at the accompanying website rSVDdpd Homepage (https://subroy13.github.io/rsvddpd-home/)

This paper presents a new, provably-convergent algorithm for computing the flag-mean and flag-median of a set of points on a flag manifold under the chordal metric. The flag manifold is a mathematical space consisting of flags, which are sequences of nested subspaces of a vector space that increase in dimension. The flag manifold is a superset of a wide range of known matrix spaces, including Stiefel and Grassmanians, making it a general object that is useful in a wide variety computer vision problems. To tackle the challenge of computing first order flag statistics, we first transform the problem into one that involves auxiliary variables constrained to the Stiefel manifold. The Stiefel manifold is a space of orthogonal frames, and leveraging the numerical stability and efficiency of Stiefel-manifold optimization enables us to compute the flag-mean effectively. Through a series of experiments, we show the competence of our method in Grassmann and rotation averaging, as well as principal component analysis. We release our source code under https://github.com/nmank/FlagAveraging.

Post-training quantization (PTQ) of large language models (LLMs) holds the promise in reducing the prohibitive computational cost at inference time. Quantization of all weight, activation and key-value (KV) cache tensors to 4-bit without significantly degrading generalizability is challenging, due to the high quantization error caused by extreme outliers in activations. To tackle this problem, we propose ResQ, a PTQ method that pushes further the state-of-the-art. By means of principal component analysis (PCA), it identifies a low-rank subspace (in practice 1/8 of the hidden dimension) in which activation variances are highest, and keep the coefficients within this subspace in high precision, e.g. 8-bit, while quantizing the rest to 4-bit. Within each subspace, invariant random rotation is applied to further suppress outliers. We show that this is a provably optimal mixed precision quantization scheme that minimizes error. With the Llama and Qwen2.5 families of models, we demonstrate that ResQ outperforms recent uniform and mixed precision PTQ methods on a variety of benchmarks, achieving up to 33\% lower perplexity on Wikitext than the next best method SpinQuant, and upto 3\times speedup over 16-bit baseline. Code is available at https://github.com/utkarsh-dmx/project-resq.

Recently, a wide range of memory-efficient LLM training algorithms have gained substantial popularity. These methods leverage the low-rank structure of gradients to project optimizer states into a subspace using projection matrix found by singular value decomposition (SVD). However, convergence of these algorithms is highly dependent on the update rules of their projection matrix. In this work, we provide the first convergence guarantee for arbitrary update rules of projection matrix. This guarantee is generally applicable to optimizers that can be analyzed with Hamiltonian Descent, including most common ones, such as LION, Adam. Inspired by our theoretical understanding, we propose Online Subspace Descent, a new family of subspace descent optimizer without SVD. Instead of updating the projection matrix with eigenvectors, Online Subspace Descent updates the projection matrix with online PCA. Online Subspace Descent is flexible and introduces only minimum overhead to training. We show that for the task of pretraining LLaMA models ranging from 60M to 7B parameters on the C4 dataset, Online Subspace Descent achieves lower perplexity and better downstream tasks performance than state-of-the-art low-rank training methods across different settings and narrows the gap with full-rank baselines.

Credit cards play an exploding role in modern economies. Its popularity and ubiquity have created a fertile ground for fraud, assisted by the cross boarder reach and instantaneous confirmation. While transactions are growing, the fraud percentages are also on the rise as well as the true cost of a dollar fraud. Volume of transactions, uniqueness of frauds and ingenuity of the fraudster are main challenges in detecting frauds. The advent of machine learning, artificial intelligence and big data has opened up new tools in the fight against frauds. Given past transactions, a machine learning algorithm has the ability to 'learn' infinitely complex characteristics in order to identify frauds in real-time, surpassing the best human investigators. However, the developments in fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data, absence of benchmarks and standard evaluation metrics to identify better performing classifiers, lack of sharing and disclosure of research findings and the difficulties in getting access to confidential transaction data for research. This work investigates the properties of typical massively imbalanced fraud data sets, their availability, suitability for research use while exploring the widely varying nature of fraud distributions. Furthermore, we show how human annotation errors compound with machine classification errors. We also carry out experiments to determine the effect of PCA obfuscation (as a means of disseminating sensitive transaction data for research and machine learning) on algorithmic performance of classifiers and show that while PCA does not significantly degrade performance, care should be taken to use the appropriate principle component size (dimensions) to avoid overfitting.

Most single-channel separators estimate a source by applying a real gain to the mixture in each time-frequency bin. The optimum of that format, which the oracle masks used as bounds do not attain, is the orthogonal projection of the source onto the line spanned by the mixture, its residual set by the angle between them. Locating an estimator reduces to the block structure of a real-linear operator on stacked spectra, giving a chain of four nested classes whose three larger terms match three assumptions on the prior: zero means, circularity and absence of inter-frequency coupling. Held fixed the chain is a cascade of four orthogonal projections; refitted per frame it collapses onto its first term, attributing the whole residual to one missing real parameter per bin, the phase. When the phase posterior is symmetric about the mixture direction, the minimum mean-square estimate falls back onto the line, with gain the posterior mean of the oracle gain and excess error its variance. On MUSDB18 a posterior mean under a non-circular Gaussian-mixture prior leaves the class yet stays 11.44 dB under the per-frame ceiling, which four times as many components and 7.5x the data do not close; a closed-form gate attributes some 70% of it, in decibels, to the predicted variance. The widest fixed class stays 6.70 dB under the same ceiling. Leaving the class and minimising squared error are conflicting requests: the barrier lies in the criterion rather than in the prior.

This paper makes a formal connection between two families of widely used matrix factorization algorithms in numerical linear algebra. One family consists of the Jacobi eigenvalue algorithm and its variants for computing the Hermitian eigendecomposition and singular value decomposition. The other consists of Gaussian elimination and the Gram-Schmidt procedure with various pivoting rules for computing the Cholesky decomposition and QR decomposition respectively. Both families are cast as special cases of a more general class of factorization algorithms. We provide a randomized pivoting rule that applies to this general class (which differs substantially from the usual pivoting rules for Gaussian elimination / Gram-Schmidt) which results in the same linear rate of convergence for each algorithm, irrespective of which factorization it computes. A second important consequence of this randomized pivoting rule is a provable, effective bound on the numerical stability of the Jacobi eigenvalue algorithm, which addresses a longstanding open problem of Demmel and Veseli\'c `92.

Robust principal component analysis (RPCA) decomposes an observation matrix into low-rank background and sparse object components. This capability has enabled its application in tasks ranging from image restoration to segmentation. However, traditional RPCA models suffer from computational burdens caused by matrix operations, reliance on finely tuned hyperparameters, and rigid priors that limit adaptability in dynamic scenarios. To solve these limitations, we propose RPCANet++, a sparse object segmentation framework that fuses the interpretability of RPCA with efficient deep architectures. Our approach unfolds a relaxed RPCA model into a structured network comprising a Background Approximation Module (BAM), an Object Extraction Module (OEM), and an Image Restoration Module (IRM). To mitigate inter-stage transmission loss in the BAM, we introduce a Memory-Augmented Module (MAM) to enhance background feature preservation, while a Deep Contrast Prior Module (DCPM) leverages saliency cues to expedite object extraction. Extensive experiments on diverse datasets demonstrate that RPCANet++ achieves state-of-the-art performance under various imaging scenarios. We further improve interpretability via visual and numerical low-rankness and sparsity measurements. By combining the theoretical strengths of RPCA with the efficiency of deep networks, our approach sets a new baseline for reliable and interpretable sparse object segmentation. Codes are available at our Project Webpage https://fengyiwu98.github.io/rpcanetx.

Sparse Autoencoders (SAEs) are widely used for mechanistic interpretability in large language models, yet their formulation assigns each latent feature a single decoder direction, implicitly assuming features to be one-dimensional. We show that this assumption mismatches with the multi-dimensional structure of model features, provably inducing feature splitting through two distinct mechanisms. Geometrically, reconstructing a feature of intrinsic dimension d_i ge 2 to error varepsilon with single-direction decoders forces a number of atoms that is exponential in d_i. From an end-to-end optimization perspective, this splitting is not merely possible but actively preferred. We prove that there exists a continuous path from the true d_i-dimensional basis to a strictly lower risk of the ell_1-regularized SAE objective, whose descent directions drive any trained dictionary into that exponential regime. A single coherent feature is therefore fragmented across many near-collinear latents, producing spurious multiplicity and obscuring the intrinsic geometry. Motivated by this, we introduce Subspace-Aware Sparse Autoencoders (SASA), which replace single-vector decoders with learned decoder subspaces, enforce block sparsity via Top-s group gating, and adapt each group's effective rank with a nuclear-norm regularizer. We then show that once the block size satisfies r ge d_i, a single group not only can represent the entire feature slice but is the global minimizer of the SASA objective. This consolidation yields a sample complexity polynomial in d_i rather than exponential -- a decisive advantage given that every training activation costs an LLM forward pass. Empirically, on GPT-2 and Mistral-7B, SASA reduces feature splitting and absorption, improves monosemanticity and interpretability, and matches or exceeds standard SAEs while training on roughly half the token budget.

Radiotherapy often involves a prolonged treatment period. During this time, patients may experience organ motion due to breathing and other physiological factors. Predicting and modeling this motion before treatment is crucial for ensuring precise radiation delivery. However, existing pre-treatment organ motion prediction methods primarily rely on deformation analysis using principal component analysis (PCA), which is highly dependent on registration quality and struggles to capture periodic temporal dynamics for motion modeling.In this paper, we observe that organ motion prediction closely resembles an autoregressive process, a technique widely used in natural language processing (NLP). Autoregressive models predict the next token based on previous inputs, naturally aligning with our objective of predicting future organ motion phases. Building on this insight, we reformulate organ motion prediction as an autoregressive process to better capture patient-specific motion patterns. Specifically, we acquire 4D CT scans for each patient before treatment, with each sequence comprising multiple 3D CT phases. These phases are fed into the autoregressive model to predict future phases based on prior phase motion patterns. We evaluate our method on a real-world test set of 4D CT scans from 50 patients who underwent radiotherapy at our institution and a public dataset containing 4D CT scans from 20 patients (some with multiple scans), totaling over 1,300 3D CT phases. The performance in predicting the motion of the lung and heart surpasses existing benchmarks, demonstrating its effectiveness in capturing motion dynamics from CT images. These results highlight the potential of our method to improve pre-treatment planning in radiotherapy, enabling more precise and adaptive radiation delivery.

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper introduces a novel approach that bridges this gap by combining the interpretability of linear methods with the expressiveness of non-linear transformations. The proposed algorithm constructs a non-linear mapping between high-dimensional and low-dimensional spaces through a combination of linear transformations, each weighted by Gaussian functions. This architecture enables complex non-linear transformations while preserving the interpretability advantages of linear methods, as each transformation can be analyzed independently. The resulting model provides both powerful dimensionality reduction and transparent insights into the transformed space. Techniques for interpreting the learned transformations are presented, including methods for identifying suppressed dimensions and how space is expanded and contracted. These tools enable practitioners to understand how the algorithm preserves and modifies geometric relationships during dimensionality reduction. To ensure the practical utility of this algorithm, the creation of user-friendly software packages is emphasized, facilitating its adoption in both academia and industry.

The Distributional Principal Autoencoder (DPA) combines distributionally correct reconstruction with principal-component-like interpretability of the encodings. In this work, we provide exact theoretical guarantees on both fronts. First, we derive a closed-form relation linking each optimal level-set geometry to the data-distribution score. This result explains DPA's empirical ability to disentangle factors of variation of the data, as well as allows the score to be recovered directly from samples. When the data follows the Boltzmann distribution, we demonstrate that this relation yields an approximation of the minimum free-energy path for the Mueller-Brown potential in a single fit. Second, we prove that if the data lies on a manifold that can be approximated by the encoder, latent components beyond the manifold dimension are conditionally independent of the data distribution - carrying no additional information - and thus reveal the intrinsic dimension. Together, these results show that a single model can learn the data distribution and its intrinsic dimension with exact guarantees simultaneously, unifying two longstanding goals of unsupervised learning.

Cross-entropy pretraining and preference alignment update the same transformer weights, but leave geometrically distinct traces. We characterise this asymmetry with a relative-subspace-fraction probe that tracks how weight deltas align with residual-stream activation subspaces and with the prediction subspace defined by the unembedding. Alignment deltas concentrate in the read pathway (W_Q, W_K), along principal directions of attention-input activations, while remaining near-isotropic in the write pathway (W_O, W_2) relative to the prediction subspace. We explain this pattern through anisotropic gradient accumulation: updates to a matrix W are sums of outer products δ_t a_t^top, and inherit directional structure from whichever side has concentrated covariance. For read-pathway matrices, this side is the input activation a_t, whose covariance is spiked in trained transformers and therefore produces objective-agnostic concentration. For write-pathway matrices, the relevant side is the upstream gradient δ_t, whose anisotropy depends on the loss. Cross-entropy supplies the canonical sharp per-sample signal, inducing write-pathway prediction geometry during pretraining; alignment objectives typically add little further write-side concentration. We support this explanation with a within-checkpoint trajectory, a graded contrastive-objective control, and a closed-form rank-1 intervention with matched direction controls, providing causal evidence for the proposed weight-space geometry.

We present MotionDiffuser, a diffusion based representation for the joint distribution of future trajectories over multiple agents. Such representation has several key advantages: first, our model learns a highly multimodal distribution that captures diverse future outcomes. Second, the simple predictor design requires only a single L2 loss training objective, and does not depend on trajectory anchors. Third, our model is capable of learning the joint distribution for the motion of multiple agents in a permutation-invariant manner. Furthermore, we utilize a compressed trajectory representation via PCA, which improves model performance and allows for efficient computation of the exact sample log probability. Subsequently, we propose a general constrained sampling framework that enables controlled trajectory sampling based on differentiable cost functions. This strategy enables a host of applications such as enforcing rules and physical priors, or creating tailored simulation scenarios. MotionDiffuser can be combined with existing backbone architectures to achieve top motion forecasting results. We obtain state-of-the-art results for multi-agent motion prediction on the Waymo Open Motion Dataset.

Training-free guided sampling in diffusion models leverages off-the-shelf pre-trained networks, such as an aesthetic evaluation model, to guide the generation process. Current training-free guided sampling algorithms obtain the guidance energy function based on a one-step estimate of the clean image. However, since the off-the-shelf pre-trained networks are trained on clean images, the one-step estimation procedure of the clean image may be inaccurate, especially in the early stages of the generation process in diffusion models. This causes the guidance in the early time steps to be inaccurate. To overcome this problem, we propose Symplectic Adjoint Guidance (SAG), which calculates the gradient guidance in two inner stages. Firstly, SAG estimates the clean image via n function calls, where n serves as a flexible hyperparameter that can be tailored to meet specific image quality requirements. Secondly, SAG uses the symplectic adjoint method to obtain the gradients accurately and efficiently in terms of the memory requirements. Extensive experiments demonstrate that SAG generates images with higher qualities compared to the baselines in both guided image and video generation tasks.

Generative Adversarial Networks (GANs), especially the recent style-based generators (StyleGANs), have versatile semantics in the structured latent space. Latent semantics discovery methods emerge to move around the latent code such that only one factor varies during the traversal. Recently, an unsupervised method proposed a promising direction to directly use the eigenvectors of the projection matrix that maps latent codes to features as the interpretable directions. However, one overlooked fact is that the projection matrix is non-orthogonal and the number of eigenvectors is too large. The non-orthogonality would entangle semantic attributes in the top few eigenvectors, and the large dimensionality might result in meaningless variations among the directions even if the matrix is orthogonal. To avoid these issues, we propose Householder Projector, a flexible and general low-rank orthogonal matrix representation based on Householder transformations, to parameterize the projection matrix. The orthogonality guarantees that the eigenvectors correspond to disentangled interpretable semantics, while the low-rank property encourages that each identified direction has meaningful variations. We integrate our projector into pre-trained StyleGAN2/StyleGAN3 and evaluate the models on several benchmarks. Within only 1% of the original training steps for fine-tuning, our projector helps StyleGANs to discover more disentangled and precise semantic attributes without sacrificing image fidelity.

Significant recent work has studied the ability of gradient descent to recover a hidden planted direction θ^star in S^{d-1} in different high-dimensional settings, including tensor PCA and single-index models. The key quantity that governs the ability of gradient descent to traverse these landscapes is the information exponent k^star (Ben Arous et al., (2021)), which corresponds to the order of the saddle at initialization in the population landscape. Ben Arous et al., (2021) showed that n gtrsim d^{max(1, k^star-1)} samples were necessary and sufficient for online SGD to recover θ^star, and Ben Arous et al., (2020) proved a similar lower bound for Langevin dynamics. More recently, Damian et al., (2023) showed it was possible to circumvent these lower bounds by running gradient descent on a smoothed landscape, and that this algorithm succeeds with n gtrsim d^{max(1, k^star/2)} samples, which is optimal in the worst case. This raises the question of whether it is possible to achieve the same rate without explicit smoothing. In this paper, we show that Langevin dynamics can succeed with n gtrsim d^{ k^star/2 } samples if one considers the average iterate, rather than the last iterate. The key idea is that the combination of noise-injection and iterate averaging is able to emulate the effect of landscape smoothing. We apply this result to both the tensor PCA and single-index model settings. Finally, we conjecture that minibatch SGD can also achieve the same rate without adding any additional noise.

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

Vibration-based condition monitoring systems are receiving increasing attention due to their ability to accurately identify different conditions by capturing dynamic features over a broad frequency range. However, there is little research on clustering approaches in vibration data and the resulting solutions are often optimized for a single data set. In this work, we present an extensive comparison of the clustering algorithms K-means clustering, OPTICS, and Gaussian mixture model clustering (GMM) applied to statistical features extracted from the time and frequency domains of vibration data sets. Furthermore, we investigate the influence of feature combinations, feature selection using principal component analysis (PCA), and the specified number of clusters on the performance of the clustering algorithms. We conducted this comparison in terms of a grid search using three different benchmark data sets. Our work showed that averaging (Mean, Median) and variance-based features (Standard Deviation, Interquartile Range) performed significantly better than shape-based features (Skewness, Kurtosis). In addition, K-means outperformed GMM slightly for these data sets, whereas OPTICS performed significantly worse. We were also able to show that feature combinations as well as PCA feature selection did not result in any significant performance improvements. With an increase in the specified number of clusters, clustering algorithms performed better, although there were some specific algorithmic restrictions.

This work presents a novel online model-predictive trajectory planner for robotic manipulators called BoundMPC. This planner allows the collision-free following of Cartesian reference paths in the end-effector's position and orientation, including via-points, within desired asymmetric bounds of the orthogonal path error. The path parameter synchronizes the position and orientation reference paths. The decomposition of the path error into the tangential direction, describing the path progress, and the orthogonal direction, which represents the deviation from the path, is well known for the position from the path-following control in the literature. This paper extends this idea to the orientation by utilizing the Lie theory of rotations. Moreover, the orthogonal error plane is further decomposed into basis directions to define asymmetric Cartesian error bounds easily. Using piecewise linear position and orientation reference paths with via-points is computationally very efficient and allows replanning the pose trajectories during the robot's motion. This feature makes it possible to use this planner for dynamically changing environments and varying goals. The flexibility and performance of BoundMPC are experimentally demonstrated by two scenarios on a 7-DoF Kuka LBR iiwa 14 R820 robot. The first scenario shows the transfer of a larger object from a start to a goal pose through a confined space where the object must be tilted. The second scenario deals with grasping an object from a table where the grasping point changes during the robot's motion, and collisions with other obstacles in the scene must be avoided.

Model merging aims to integrate multiple task-specific fine-tuned models derived from a shared pre-trained checkpoint into a single multi-task model without additional training. Despite extensive research, task interference remains a major obstacle that often undermines the performance of merged models. In this paper, we propose ESM (Essential Subspace Merging) , a robust framework for effective model merging. We begin by performing Principal Component Analysis (PCA) on feature shifts induced by parameter updates. The resulting principal directions span an essential subspace that dominantly influences feature representations. Each task's parameter update matrix is projected onto its respective essential subspace for low-rank decomposition before merging. This methodology mitigates inter-task interference while preserving core task-specific functionality. Furthermore, we introduce a multi-level polarized scaling strategy that amplifies parameters containing critical knowledge and suppresses redundant ones, preventing essential knowledge from being overwhelmed during fusion. Extensive experiments across multiple task sets and model scales demonstrate that our method achieves state-of-the-art performance in multi-task model merging.

A typical human strategy for giving navigation guidance is to sketch route maps based on the environmental layout. Inspired by this, we introduce Sketch map-based visual Navigation (SkeNa), an embodied navigation task in which an agent must reach a goal in an unseen environment using only a hand-drawn sketch map as guidance. To support research for SkeNa, we present a large-scale dataset named SoR, comprising 54k trajectory and sketch map pairs across 71 indoor scenes. In SoR, we introduce two navigation validation sets with varying levels of abstraction in hand-drawn sketches, categorized based on their preservation of spatial scales in the environment, to facilitate future research. To construct SoR, we develop an automated sketch-generation pipeline that efficiently converts floor plans into hand-drawn representations. To solve SkeNa, we propose SkeNavigator, a navigation framework that aligns visual observations with hand-drawn maps to estimate navigation targets. It employs a Ray-based Map Descriptor (RMD) to enhance sketch map valid feature representation using equidistant sampling points and boundary distances. To improve alignment with visual observations, a Dual-Map Aligned Goal Predictor (DAGP) leverages the correspondence between sketch map features and on-site constructed exploration map features to predict goal position and guide navigation. SkeNavigator outperforms prior floor plan navigation methods by a large margin, improving SPL on the high-abstract validation set by 105% relatively. Our code and dataset will be released.

KV cache has become a de facto technique for the inference of large language models (LLMs), where tensors of shape (layer number, head number, sequence length, feature dimension) are introduced to cache historical information for self-attention. As the size of the model and data grows, the KV cache can quickly become a bottleneck within the system in both storage and memory transfer. To address this, prior studies usually focus on the first three axes of the cache tensors for compression. This paper supplements them, focusing on the feature dimension axis, by utilizing low-rank projection matrices to transform the cache features into spaces with reduced dimensions. We begin by investigating the canonical orthogonal projection method for data compression through principal component analysis (PCA). We observe the issue with PCA projection where significant performance degradation is observed at low compression rates. To bridge the gap, we propose to directly tune the orthogonal projection matrices with a distillation objective using an elaborate Matryoshka training strategy. After training, we adaptively search for the optimal compression rates for various layers and heads given varying compression budgets. Compared to previous works, our method can easily embrace pre-trained LLMs and hold a smooth tradeoff between performance and compression rate. We empirically witness the high data efficiency of our training procedure and find that our method can sustain over 90% performance with an average KV cache compression rate of 60% (and up to 75% in certain extreme scenarios) for popular LLMs like LLaMA2-7B-base and Mistral-7B-v0.3-base.

Social simulations built from language-model agents need role-conditioned behavior that can be checked before agents are placed into a simulated population. We introduce an activation-steering screening workflow for role-conditioned agents: define a role profile, extract a role-specific direction, sweep four steering coefficients, evaluate role-profile alignment, and pass or flag each candidate configuration. On OLMo-3-7B-Instruct, we apply the workflow to a mixed 275-role inventory with 228 role-agnostic questions, GPT-4.1-mini prompted role references, and GPT-4.1-mini judges. Role-specific directions receive higher judged role-profile alignment than an assistant-axis directional control from prior persona-vector work, with mean overall scores of 63.2 versus 41.1 across the tested grid. They also preserve high lexical diversity, while the control drops sharply at larger coefficients. The role-level screen is the main practical output: most roles improve as steering increases, but 38 roles decline across all six measured dimensions, showing why simulation builders should choose coefficients per role rather than deploy a uniform high-strength setting. We make our code and evaluation artifacts available at https://anonymous.4open.science/r/anonymous-research-code-5F03/.

Denoisers play a central role in many applications, from noise suppression in low-grade imaging sensors, to empowering score-based generative models. The latter category of methods makes use of Tweedie's formula, which links the posterior mean in Gaussian denoising (\ie the minimum MSE denoiser) with the score of the data distribution. Here, we derive a fundamental relation between the higher-order central moments of the posterior distribution, and the higher-order derivatives of the posterior mean. We harness this result for uncertainty quantification of pre-trained denoisers. Particularly, we show how to efficiently compute the principal components of the posterior distribution for any desired region of an image, as well as to approximate the full marginal distribution along those (or any other) one-dimensional directions. Our method is fast and memory-efficient, as it does not explicitly compute or store the high-order moment tensors and it requires no training or fine tuning of the denoiser. Code and examples are available on the project webpage in https://hilamanor.github.io/GaussianDenoisingPosterior/ .

We give a new algorithm for best arm identification in linearly parameterised bandits in the fixed confidence setting. The algorithm generalises the well-known LUCB algorithm of Kalyanakrishnan et al. (2012) by playing an arm which minimises a suitable notion of geometric overlap of the statistical confidence set for the unknown parameter, and is fully adaptive and computationally efficient as compared to several state-of-the methods. We theoretically analyse the sample complexity of the algorithm for problems with two and three arms, showing optimality in many cases. Numerical results indicate favourable performance over other algorithms with which we compare.

Recent advances in masked diffusion models (MDMs) have established them as powerful non-autoregressive alternatives for sequence generation. Nevertheless, our preliminary experiments reveal that the generation quality of MDMs is still highly sensitive to the choice of decoding strategy. In particular, widely adopted uncertainty-based samplers suffer from two key limitations: a lack of global trajectory control and a pronounced bias toward trivial tokens in the early stages of decoding. These shortcomings restrict the full potential of MDMs. In this work, we introduce Position-Aware Confidence-Calibrated Sampling (PC-Sampler), a novel decoding strategy that unifies global trajectory planning with content-aware informativeness maximization. PC-Sampler incorporates a position-aware weighting mechanism to regulate the decoding path and a calibrated confidence score to suppress the premature selection of trivial tokens. Extensive experiments on three advanced MDMs across seven challenging benchmarks-including logical reasoning and planning tasks-demonstrate that PC-Sampler consistently outperforms existing MDM decoding strategies by more than 10% on average, significantly narrowing the performance gap with state-of-the-art autoregressive models. All codes are available at https://github.com/NEUIR/PC-Sampler.

Low-precision number formats are widely used in modern machine learning systems due to their efficiency. Accurate direction representation is key to the accuracy of vector operations. This work precisely explores the extent to which the direction of a vector can be represented by selecting its scalar elements from a common finite alphabet of a given size. This is standard practice in machine learning, where low-precision significands may be narrow-width floating-point or integer values. A geometric framework is introduced for analyzing the directional coverage of such product-structured codes. This work analytically quantifies the suboptimality gap between such product-structured codes and spherical codes for the vector as a whole, in both low and asymptotically high dimensions. Furthermore, within the product code class, it is proven that the standard formats of two's complement, fixed-point, and floating-point are suboptimal, again with quantified gap, pointing to the potential to develop new scalar number formats. Such scalar alphabets are numerically optimized across multiple block dimensions for directional coverage, including the dimension used in NVIDIA's NVFP4 format. Experimental results are presented comparing the performance of standard formats and the optimized alphabet. We find that for four bits, NVIDIA's choice of E2M1 closely approximates the optimized alphabet, providing a geometric explanation for its strong performance in low-precision machine learning workloads and an analytical understanding of the link between that superiority and block size. We provide open-source formal proofs in Lean for the theorems in this work, along with the experimental code and the optimized alphabets obtained.

Attention Deficit Hyperactive Disorder (ADHD) is a common behavioral problem affecting children. In this work, we investigate the automatic classification of ADHD subjects using the resting state Functional Magnetic Resonance Imaging (fMRI) sequences of the brain. We show that the brain can be modeled as a functional network, and certain properties of the networks differ in ADHD subjects from control subjects. We compute the pairwise correlation of brain voxels' activity over the time frame of the experimental protocol which helps to model the function of a brain as a network. Different network features are computed for each of the voxels constructing the network. The concatenation of the network features of all the voxels in a brain serves as the feature vector. Feature vectors from a set of subjects are then used to train a PCA-LDA (principal component analysis-linear discriminant analysis) based classifier. We hypothesized that ADHD-related differences lie in some specific regions of the brain and using features only from those regions is sufficient to discriminate ADHD and control subjects. We propose a method to create a brain mask that includes the useful regions only and demonstrate that using the feature from the masked regions improves classification accuracy on the test data set. We train our classifier with 776 subjects and test on 171 subjects provided by The Neuro Bureau for the ADHD-200 challenge. We demonstrate the utility of graph-motif features, specifically the maps that represent the frequency of participation of voxels in network cycles of length 3. The best classification performance (69.59%) is achieved using 3-cycle map features with masking. Our proposed approach holds promise in being able to diagnose and understand the disorder.

I study whether emotionally framed evaluation follow-ups change both the behavior and the calm-relative internal representations of small, locally deployed language models. Our main benchmark uses Qwen 3.5 0.8B on four impossible-constraint coding tasks and eight follow-up framings: calm, pressure, urgency, approval, shame, curiosity, encouragement, and threat. In the 0.8B eight-condition sweep (160 conversations), pressure produces the strongest shortcut markers (11/20 runs) and the clearest overfit pattern (3/20), while calm and curiosity preserve explicit honesty more often (7/20 and 6/20). For all seven non-baseline conditions, the corresponding calm-relative direction vectors peak at the final transformer layer. An exploratory PCA of the layer-23 direction vectors reveals a dominant first component (59.5% explained variance) aligned with a hand-labeled positive/negative split (cosine alignment 0.951); approval and urgency are nearly identical internally (cosine 0.957), whereas curiosity points away from urgency (-0.252). In a separate calm-vs.-pressure rerun used for scale comparison, Qwen 3.5 2B shows higher honest rates under calm framing and directionally consistent activation steering on a small 4-prompt A/B probe, whereas the 0.8B steering result reverses. I interpret these results as evidence for measurable prompt-sensitive control directions in small open models, while stopping short of claiming intrinsic emotional states.

The singular value decomposition (SVD) is a powerful tool in modern numerical linear algebra, which underpins computational methods such as principal component analysis (PCA), low-rank approximations, and randomized algorithms. Many practical scenarios require solving numerous small SVD problems, a regime generally referred to as "batch SVD". Existing programming models can handle this efficiently on parallel CPU architectures, but high-performance solutions for GPUs remain immature. A GPU-oriented batch SVD solver is introduced. This solver exploits the one-sided Jacobi algorithm to exploit fine-grained parallelism, and a number of algorithmic and design optimizations achieve unmatched performance. Starting from a baseline solver, a sequence of optimizations is applied to obtain incremental performance gains. Numerical experiments show that the new solver is robust across problems with different numerical properties, matrix shapes, and arithmetic precisions. Performance benchmarks on both NVIDIA and AMD systems show significant performance speedups over vendor solutions as well as existing open-source solvers.

Causal discovery with latent confounders is an important but challenging task in many scientific areas. Despite the success of some overcomplete independent component analysis (OICA) based methods in certain domains, they are computationally expensive and can easily get stuck into local optima. We notice that interestingly, by making use of higher-order cumulants, there exists a closed-form solution to OICA in specific cases, e.g., when the mixing procedure follows the One-Latent-Component structure. In light of the power of the closed-form solution to OICA corresponding to the One-Latent-Component structure, we formulate a way to estimate the mixing matrix using the higher-order cumulants, and further propose the testable One-Latent-Component condition to identify the latent variables and determine causal orders. By iteratively removing the share identified latent components, we successfully extend the results on the One-Latent-Component structure to the Multi-Latent-Component structure and finally provide a practical and asymptotically correct algorithm to learn the causal structure with latent variables. Experimental results illustrate the asymptotic correctness and effectiveness of the proposed method.

t-distributed Stochastic Neighborhood Embedding (t-SNE) is a method for dimensionality reduction and visualization that has become widely popular in recent years. Efficient implementations of t-SNE are available, but they scale poorly to datasets with hundreds of thousands to millions of high dimensional data-points. We present Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE), which dramatically accelerates the computation of t-SNE. The most time-consuming step of t-SNE is a convolution that we accelerate by interpolating onto an equispaced grid and subsequently using the fast Fourier transform to perform the convolution. We also optimize the computation of input similarities in high dimensions using multi-threaded approximate nearest neighbors. We further present a modification to t-SNE called "late exaggeration," which allows for easier identification of clusters in t-SNE embeddings. Finally, for datasets that cannot be loaded into the memory, we present out-of-core randomized principal component analysis (oocPCA), so that the top principal components of a dataset can be computed without ever fully loading the matrix, hence allowing for t-SNE of large datasets to be computed on resource-limited machines.

In this paper, we have studied the performance and role of local optimizers in quantum variational circuits. We studied the performance of the two most popular optimizers and compared their results with some popular classical machine learning algorithms. The classical algorithms we used in our study are support vector machine (SVM), gradient boosting (GB), and random forest (RF). These were compared with a variational quantum classifier (VQC) using two sets of local optimizers viz AQGD and COBYLA. For experimenting with VQC, IBM Quantum Experience and IBM Qiskit was used while for classical machine learning models, sci-kit learn was used. The results show that machine learning on noisy immediate scale quantum machines can produce comparable results as on classical machines. For our experiments, we have used a popular restaurant sentiment analysis dataset. The extracted features from this dataset and then after applying PCA reduced the feature set into 5 features. Quantum ML models were trained using 100 epochs and 150 epochs on using EfficientSU2 variational circuit. Overall, four Quantum ML models were trained and three Classical ML models were trained. The performance of the trained models was evaluated using standard evaluation measures viz, Accuracy, Precision, Recall, F-Score. In all the cases AQGD optimizer-based model with 100 Epochs performed better than all other models. It produced an accuracy of 77% and an F-Score of 0.785 which were highest across all the trained models.

In language models, what a representation encodes is determined by the geometry of its representation space: distances, not activations, carry meaning. Existing tools characterize the shape of this geometry but do not ask what that shape is organized for. We introduce Subspace PGA, a metric that tests whether a layer's distance structure aligns with the readout subspace of the unembedding matrix W_U more than with random subspaces of equal size. Across seven Pythia models (70M--6.9B) and three cross-family models, intermediate geometry is significantly organized for prediction (peak z = 9--24), but the degree is scale-dependent: small models (d leq 1024) progressively lose it at late layers during training -- even as loss keeps improving -- while large models (d geq 2048) preserve it throughout. We trace this to a capacity trade-off: a few dominant directions migrate away from W_U's readout, masking rather than destroying the predictive structure beneath, and removing them restores alignment. Neither spectral metrics nor loss curves capture this distinction. Scale thus determines not only how well a model predicts, but how its representation geometry is organized to do so.

Hyperspectral unmixing (HU) plays a fundamental role in a wide range of hyperspectral applications. It is still challenging due to the common presence of outlier channels and the large solution space. To address the above two issues, we propose a novel model by emphasizing both robust representation and learning-based sparsity. Specifically, we apply the ell_{2,1}-norm to measure the representation error, preventing outlier channels from dominating our objective. In this way, the side effects of outlier channels are greatly relieved. Besides, we observe that the mixed level of each pixel varies over image grids. Based on this observation, we exploit a learning-based sparsity method to simultaneously learn the HU results and a sparse guidance map. Via this guidance map, the sparsity constraint in the ell_{p}!left(!0!<! p!leq!1right)-norm is adaptively imposed according to the learnt mixed level of each pixel. Compared with state-of-the-art methods, our model is better suited to the real situation, thus expected to achieve better HU results. The resulted objective is highly non-convex and non-smooth, and so it is hard to optimize. As a profound theoretical contribution, we propose an efficient algorithm to solve it. Meanwhile, the convergence proof and the computational complexity analysis are systematically provided. Extensive evaluations verify that our method is highly promising for the HU task---it achieves very accurate guidance maps and much better HU results compared with state-of-the-art methods.

Multi-channel sensor networks in industrial IoT often exceed available bandwidth. We propose PCA-Triage, a streaming algorithm that converts incremental PCA loadings into proportional per-channel sampling rates under a bandwidth budget. PCA-Triage runs in O(wdk) time with zero trainable parameters (0.67 ms per decision). We evaluate on 7 benchmarks (8--82 channels) against 9 baselines. PCA-Triage is the best unsupervised method on 3 of 6 datasets at 50% bandwidth, winning 5 of 6 against every baseline with large effect sizes (r = 0.71--0.91). On TEP, it achieves F1 = 0.961 +/- 0.001 -- within 0.1% of full-data performance -- while maintaining F1 > 0.90 at 30% budget. Targeted extensions push F1 to 0.970. The algorithm is robust to packet loss and sensor noise (3.7--4.8% degradation under combined worst-case).

Neural network models of early sensory processing typically reduce the dimensionality of streaming input data. Such networks learn the principal subspace, in the sense of principal component analysis (PCA), by adjusting synaptic weights according to activity-dependent learning rules. When derived from a principled cost function these rules are nonlocal and hence biologically implausible. At the same time, biologically plausible local rules have been postulated rather than derived from a principled cost function. Here, to bridge this gap, we derive a biologically plausible network for subspace learning on streaming data by minimizing a principled cost function. In a departure from previous work, where cost was quantified by the representation, or reconstruction, error, we adopt a multidimensional scaling (MDS) cost function for streaming data. The resulting algorithm relies only on biologically plausible Hebbian and anti-Hebbian local learning rules. In a stochastic setting, synaptic weights converge to a stationary state which projects the input data onto the principal subspace. If the data are generated by a nonstationary distribution, the network can track the principal subspace. Thus, our result makes a step towards an algorithmic theory of neural computation.

Sparse Matrix-Sparse Vector Multiplication (SpMSpV) is a core primitive in graph traversal, sparse linear algebra, and sparse model inference. Its input vector is often dynamically sparse, so the best GPU execution path depends on both global sparsity and the local vector-block distribution. Existing GPU SpMSpV methods often bind storage layouts, push/pull traversal, and kernels together, making fine-grained adaptation difficult without extra storage or scheduling overhead. This paper presents DB-SpMSpV, a dual-view blocked SpMSpV framework for dynamic GPU workloads. DB-SpMSpV partitions the matrix into fixed-size 2D blocks, maintains block-level CSR/CSC views at the high level, and reuses a single low-level block payload to support both row-driven pull and column-driven push. At runtime, it selects the global traversal path based on input block sparsity, chooses block microkernels from the local matrix/vector block structure, and uses load balancing, asynchronous prefetching, and hierarchical writeback to reduce irregular memory accesses, writeback conflicts, and load imbalance. We further integrate the framework into DB-BFS and DB-Decoding. We evaluate DB-SpMSpV on NVIDIA A100 and RTX 4090 using SuiteSparse matrices, symmetric graphs, and three open-source LLMs. Across input sparsities, DB-SpMSpV achieves average speedups of 5.48times--64.34times over cuSPARSE and 2.36times--14.01times over TileSpMSpV on A100, with similar gains on RTX 4090. DB-BFS further improves end-to-end graph traversal by 2.66times over TileBFS on A100 and 3.60times on RTX 4090 on average, while DB-Decoding accelerates single-token linear layers by up to 4.50times.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

The clustering problem, and more generally, latent factor discovery --or latent space inference-- is formulated in terms of the Wasserstein barycenter problem from optimal transport. The objective proposed is the maximization of the variability attributable to class, further characterized as the minimization of the variance of the Wasserstein barycenter. Existing theory, which constrains the transport maps to rigid translations, is extended to affine transformations. The resulting non-parametric clustering algorithms include k-means as a special case and exhibit more robust performance. A continuous version of these algorithms discovers continuous latent variables and generalizes principal curves. The strength of these algorithms is demonstrated by tests on both artificial and real-world data sets.

The wide-scale use of sparse autoencoders (SAEs) as interpretability tools is limited by inconsistent links between SAE features and model behavior. Features with clear activation descriptions may have weak or unexpected causal effects; steering can vary across prompts or oppose the intended direction; and activation-based feature selection can miss features that produce the desired output change. Prior work has studied feature geometry inside the model, where features are computed. We instead study the geometry of changes in model logits caused by feature interventions. We introduce Feature-Effect Geometry Analysis (FEGA), an unsupervised framework that removes the same active SAE feature across contexts and analyzes the resulting cloud of logit changes. Across SAE variants, consistent one-dimensional effects are rare: few features behave like reusable directions. To interpret this variation, we distinguish value-like features, tied to static information such as factual attributes, from pointer-like features, associated with context-dependent operations. Value-like features more often exhibit structured, low-dimensional effects, although these effects typically span several directions. Pointer-like features, by contrast, predominantly exhibit diffuse effects. Our results show that a feature can be interpretable and causally relevant without providing a stable direction for steering.

Dimensionality reduction is critical for deploying dense retrieval systems at scale, yet mainstream post-hoc methods face a fundamental trade-off: principal component analysis (PCA) preserves dominant variance but underutilizes representational capacity, while whitening enforces isotropy at the cost of amplifying noise in the heavy-tailed eigenspectrum of retrieval embeddings. Intermediate spectral scaling methods unify these extremes by reweighting dimensions with a power coefficient γ, but treat γ as a fixed hyperparameter that requires task-specific tuning. We show that the optimal scaling strength γ is not a global constant: it varies systematically with target dimensionality k and is governed by the signal-to-noise ratio (SNR) of the retained subspace. Based on this insight, we propose Spectral Tempering (SpecTemp), a learning-free method that derives an adaptive γ(k) directly from the corpus eigenspectrum using local SNR analysis and knee-point normalization, requiring no labeled data or validation-based search. Extensive experiments demonstrate that Spectral Tempering consistently achieves near-oracle performance relative to grid-searched γ^*(k) while remaining fully learning-free and model-agnostic. Our code is publicly available at https://anonymous.4open.science/r/SpecTemp-0D37.

ProSper is a python library containing probabilistic algorithms to learn dictionaries. Given a set of data points, the implemented algorithms seek to learn the elementary components that have generated the data. The library widens the scope of dictionary learning approaches beyond implementations of standard approaches such as ICA, NMF or standard L1 sparse coding. The implemented algorithms are especially well-suited in cases when data consist of components that combine non-linearly and/or for data requiring flexible prior distributions. Furthermore, the implemented algorithms go beyond standard approaches by inferring prior and noise parameters of the data, and they provide rich a-posteriori approximations for inference. The library is designed to be extendable and it currently includes: Binary Sparse Coding (BSC), Ternary Sparse Coding (TSC), Discrete Sparse Coding (DSC), Maximal Causes Analysis (MCA), Maximum Magnitude Causes Analysis (MMCA), and Gaussian Sparse Coding (GSC, a recent spike-and-slab sparse coding approach). The algorithms are scalable due to a combination of variational approximations and parallelization. Implementations of all algorithms allow for parallel execution on multiple CPUs and multiple machines for medium to large-scale applications. Typical large-scale runs of the algorithms can use hundreds of CPUs to learn hundreds of dictionary elements from data with tens of millions of floating-point numbers such that models with several hundred thousand parameters can be optimized. The library is designed to have minimal dependencies and to be easy to use. It targets users of dictionary learning algorithms and Machine Learning researchers.

The discovery of the disentanglement properties of the latent space in GANs motivated a lot of research to find the semantically meaningful directions on it. In this paper, we suggest that the disentanglement property is closely related to the geometry of the latent space. In this regard, we propose an unsupervised method for finding the semantic-factorizing directions on the intermediate latent space of GANs based on the local geometry. Intuitively, our proposed method, called Local Basis, finds the principal variation of the latent space in the neighborhood of the base latent variable. Experimental results show that the local principal variation corresponds to the semantic factorization and traversing along it provides strong robustness to image traversal. Moreover, we suggest an explanation for the limited success in finding the global traversal directions in the latent space, especially W-space of StyleGAN2. We show that W-space is warped globally by comparing the local geometry, discovered from Local Basis, through the metric on Grassmannian Manifold. The global warpage implies that the latent space is not well-aligned globally and therefore the global traversal directions are bound to show limited success on it.

We investigate the relationship between representation geometry and neural network performance. Analyzing 52 pretrained ImageNet models across 13 architecture families, we show that effective dimension -- an unsupervised geometric metric -- strongly predicts accuracy. Output effective dimension achieves partial r=0.75 (p < 10^(-10)) after controlling for model capacity, while total compression achieves partial r=-0.72. These findings replicate across ImageNet and CIFAR-10, and generalize to NLP: effective dimension predicts performance for 8 encoder models on SST-2/MNLI and 15 decoder-only LLMs on AG News (r=0.69, p=0.004), while model size does not (r=0.07). We establish bidirectional causality: degrading geometry via noise causes accuracy loss (r=-0.94, p < 10^(-9)), while improving geometry via PCA maintains accuracy across architectures (-0.03pp at 95% variance). This relationship is noise-type agnostic -- Gaussian, Uniform, Dropout, and Salt-and-pepper noise all show |r| > 0.90. These results establish that effective dimension provides domain-agnostic predictive and causal information about neural network performance, computed entirely without labels.

Activation decomposition methods in language models are tightly coupled to geometric assumptions on how concepts are realized in activation space. Existing approaches search for individual global directions, implicitly assuming linear separability, which overlooks concepts with nonlinear or multi-dimensional structure. In this work, we leverage Mixture of Factor Analyzers (MFA) as a scalable, unsupervised alternative that models the activation space as a collection of Gaussian regions with their local covariance structure. MFA decomposes activations into two compositional geometric objects: the region's centroid in activation space, and the local variation from the centroid. We train large-scale MFAs for Llama-3.1-8B and Gemma-2-2B, and show they capture complex, nonlinear structures in activation space. Moreover, evaluations on localization and steering benchmarks show that MFA outperforms unsupervised baselines, is competitive with supervised localization methods, and often achieves stronger steering performance than sparse autoencoders. Together, our findings position local geometry, expressed through subspaces, as a promising unit of analysis for scalable concept discovery and model control, accounting for complex structures that isolated directions fail to capture.

The Evidence Lower Bound (ELBO) is a quantity that plays a key role in variational inference. It can also be used as a criterion in model selection. However, though extremely popular in practice in the variational Bayes community, there has never been a general theoretic justification for selecting based on the ELBO. In this paper, we show that the ELBO maximization strategy has strong theoretical guarantees, and is robust to model misspecification while most works rely on the assumption that one model is correctly specified. We illustrate our theoretical results by an application to the selection of the number of principal components in probabilistic PCA.

Deep neural networks perform remarkably well on image classification tasks but remain vulnerable to carefully crafted adversarial perturbations. This work revisits linear dimensionality reduction as a simple, data-adapted defense. We empirically compare standard Principal Component Analysis (PCA) with its sparse variant (SPCA) as front-end feature extractors for downstream classifiers, and we complement these experiments with a theoretical analysis. On the theory side, we derive exact robustness certificates for linear heads applied to SPCA features: for both ell_infty and ell_2 threat models (binary and multiclass), the certified radius grows as the dual norms of W^top u shrink, where W is the projection and u the head weights. We further show that for general (non-linear) heads, sparsity reduces operator-norm bounds through a Lipschitz composition argument, predicting lower input sensitivity. Empirically, with a small non-linear network after the projection, SPCA consistently degrades more gracefully than PCA under strong white-box and black-box attacks while maintaining competitive clean accuracy. Taken together, the theory identifies the mechanism (sparser projections reduce adversarial leverage) and the experiments verify that this benefit persists beyond the linear setting. Our code is available at https://github.com/killian31/SPCARobustness.

The raster-ordered image token sequence exhibits a significant Euclidean distance between index-adjacent tokens at line breaks, making it unsuitable for autoregressive generation. To address this issue, this paper proposes Direction-Aware Diagonal Autoregressive Image Generation (DAR) method, which generates image tokens following a diagonal scanning order. The proposed diagonal scanning order ensures that tokens with adjacent indices remain in close proximity while enabling causal attention to gather information from a broader range of directions. Additionally, two direction-aware modules: 4D-RoPE and direction embeddings are introduced, enhancing the model's capability to handle frequent changes in generation direction. To leverage the representational capacity of the image tokenizer, we use its codebook as the image token embeddings. We propose models of varying scales, ranging from 485M to 2.0B. On the 256times256 ImageNet benchmark, our DAR-XL (2.0B) outperforms all previous autoregressive image generators, achieving a state-of-the-art FID score of 1.37.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

Trajectory-based data attribution methods estimate the influence of training samples on model predictions by unrolling the training trajectory. They are widely used in applications such as data selection, data valuation, and model diagnosis, but there is a lack of comprehensive error analysis of these methods, raising concerns about method faithfulness and hindering reliable deployment. In this work, we provide the first systematic analysis of error sources in trajectory-based data attribution, together with concrete remedies to mitigate them and practical guidelines for downstream use. We organize the total error into three categories, config-level, algorithm-level, and system-level. We make three contributions. First, we identify optimizer mismatch as the dominant config-level error: existing methods derive their attribution under the assumption of SGD, even for models trained with the modern de facto optimizer AdamW. We propose AdamW-influence to fully account for AdamW's optimization dynamics, yielding improvements from 10% to over 300% in Spearman correlation between estimated and ground-truth influence across four settings spanning MLP, CNN, GPT-2, and Llama 3.2-1B. Second, we isolate the remaining algorithm-level error arising from the first-order Taylor approximation, identify the learning rate and trajectory length as factors governing the error magnitude, and derive a closed-form error proxy that can be evaluated along the original trajectory without retraining. Third, we translate these insights into practical guidelines for data selection by unifying offline and online strategies under a K-step look-ahead framework. Under this framework, online selection with a short horizon often matches or exceeds offline, and the optimal horizon can be tuned jointly with the learning rate. Together, these results turn the framework into an actionable selection recipe for practitioners.

We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere mathbb S^{d-1}. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on mathbb S^{d-1} to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on (mathbb S^{d-1})^L both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The combination of vMF and PC sampling significantly improves results on Sudoku and language modeling.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.