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Jul 28

Distributional MIPLIB: a Multi-Domain Library for Advancing ML-Guided MILP Methods

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

  • 4 authors
·
Jun 11, 2024

R3PM-Net: Real-time, Robust, Real-world Point Matching Network

Accurate Point Cloud Registration (PCR) is an important task in 3D data processing, involving the estimation of a rigid transformation between two point clouds. While deep-learning methods have addressed key limitations of traditional non-learning approaches, such as sensitivity to noise, outliers, occlusion, and initialization, they are developed and evaluated on clean, dense, synthetic datasets (limiting their generalizability to real-world industrial scenarios). This paper introduces R3PM-Net, a lightweight, global-aware, object-level point matching network designed to bridge this gap by prioritizing both generalizability and real-time efficiency. To support this transition, two datasets, Sioux-Cranfield and Sioux-Scans, are proposed. They provide an evaluation ground for registering imperfect photogrammetric and event-camera scans to digital CAD models, and have been made publicly available. Extensive experiments demonstrate that R3PM-Net achieves competitive accuracy with unmatched speed. On ModelNet40, it reaches a perfect fitness score of 1 and inlier RMSE of 0.029 cm in only 0.007s, approximately 7 times faster than the state-of-the-art method RegTR. This performance carries over to the Sioux-Cranfield dataset, maintaining a fitness of 1 and inlier RMSE of 0.030 cm with similarly low latency. Furthermore, on the highly challenging Sioux-Scans dataset, R3PM-Net successfully resolves edge cases in under 50 ms. These results confirm that R3PM-Net offers a robust, high-speed solution for critical industrial applications, where precision and real-time performance are indispensable. The code and datasets are available at https://github.com/YasiiKB/R3PM-Net.

MIPHEI-ViT: Multiplex Immunofluorescence Prediction from H&E Images using ViT Foundation Models

Histopathological analysis is a cornerstone of cancer diagnosis, with Hematoxylin and Eosin (H&E) staining routinely acquired for every patient to visualize cell morphology and tissue architecture. On the other hand, multiplex immunofluorescence (mIF) enables more precise cell type identification via proteomic markers, but has yet to achieve widespread clinical adoption due to cost and logistical constraints. To bridge this gap, we introduce MIPHEI (Multiplex Immunofluorescence Prediction from H&E), a U-Net-inspired architecture that integrates state-of-the-art ViT foundation models as encoders to predict mIF signals from H&E images. MIPHEI targets a comprehensive panel of markers spanning nuclear content, immune lineages (T cells, B cells, myeloid), epithelium, stroma, vasculature, and proliferation. We train our model using the publicly available ORION dataset of restained H&E and mIF images from colorectal cancer tissue, and validate it on two independent datasets. MIPHEI achieves accurate cell-type classification from H&E alone, with F1 scores of 0.88 for Pan-CK, 0.57 for CD3e, 0.56 for SMA, 0.36 for CD68, and 0.30 for CD20, substantially outperforming both a state-of-the-art baseline and a random classifier for most markers. Our results indicate that our model effectively captures the complex relationships between nuclear morphologies in their tissue context, as visible in H&E images and molecular markers defining specific cell types. MIPHEI offers a promising step toward enabling cell-type-aware analysis of large-scale H&E datasets, in view of uncovering relationships between spatial cellular organization and patient outcomes.

  • 5 authors
·
May 15, 2025

Accurate Computation of the Logarithm of Modified Bessel Functions on GPUs

Bessel functions are critical in scientific computing for applications such as machine learning, protein structure modeling, and robotics. However, currently, available routines lack precision or fail for certain input ranges, such as when the order v is large, and GPU-specific implementations are limited. We address the precision limitations of current numerical implementations while dramatically improving the runtime. We propose two novel algorithms for computing the logarithm of modified Bessel functions of the first and second kinds by computing intermediate values on a logarithmic scale. Our algorithms are robust and never have issues with underflows or overflows while having relative errors on the order of machine precision, even for inputs where existing libraries fail. In C++/CUDA, our algorithms have median and maximum speedups of 45x and 6150x for GPU and 17x and 3403x for CPU, respectively, over the ranges of inputs and third-party libraries tested. Compared to SciPy, the algorithms have median and maximum speedups of 77x and 300x for GPU and 35x and 98x for CPU, respectively, over the tested inputs. The ability to robustly compute a solution and the low relative errors allow us to fit von Mises-Fisher, vMF, distributions to high-dimensional neural network features. This is, e.g., relevant for uncertainty quantification in metric learning. We obtain image feature data by processing CIFAR10 training images with the convolutional layers of a pre-trained ResNet50. We successfully fit vMF distributions to 2048-, 8192-, and 32768-dimensional image feature data using our algorithms. Our approach provides fast and accurate results while existing implementations in SciPy and mpmath fail to fit successfully. Our approach is readily implementable on GPUs, and we provide a fast open-source implementation alongside this paper.

  • 3 authors
·
Sep 13, 2024

MGMap: Mask-Guided Learning for Online Vectorized HD Map Construction

Currently, high-definition (HD) map construction leans towards a lightweight online generation tendency, which aims to preserve timely and reliable road scene information. However, map elements contain strong shape priors. Subtle and sparse annotations make current detection-based frameworks ambiguous in locating relevant feature scopes and cause the loss of detailed structures in prediction. To alleviate these problems, we propose MGMap, a mask-guided approach that effectively highlights the informative regions and achieves precise map element localization by introducing the learned masks. Specifically, MGMap employs learned masks based on the enhanced multi-scale BEV features from two perspectives. At the instance level, we propose the Mask-activated instance (MAI) decoder, which incorporates global instance and structural information into instance queries by the activation of instance masks. At the point level, a novel position-guided mask patch refinement (PG-MPR) module is designed to refine point locations from a finer-grained perspective, enabling the extraction of point-specific patch information. Compared to the baselines, our proposed MGMap achieves a notable improvement of around 10 mAP for different input modalities. Extensive experiments also demonstrate that our approach showcases strong robustness and generalization capabilities. Our code can be found at https://github.com/xiaolul2/MGMap.

  • 6 authors
·
Mar 31, 2024

Generalized Additive Modeling of TRPM4-Ribo Transcriptional Space in Prostate Cancer

TRPM4 is overexpressed in prostate cancer (PCa) associated with metastasis or recurrence. There is paucity of information pertaining to TRPM4 characterization and functions at single-cell level in PCa. In this study, generalized additive model (GAM) was utilized to model the relationship between TRPM4 and genes shortlisted using Spearman-Kendall dual-filter in aggressive PCa and benign prostate (BP) control cells derived from scRNA-seq dataset. Seven ribosomal genes (RPL10, RPL27, RPL28, RPS2, RPS8, RPS12, and RPS26; averaged into Ribo as the gene set), passed the dual-filter specifically in PCa cells. GAM modeling of TRPM4-Ribo significantly outperformed TRPM4 modeling with alternative cancer gene sets (GSK-3B, mTOR, NF-KB, PI3K/AKT, and Wnt). Cell explanatory power (CEP) classification was devised and verified by cross-validation to identify individual PCa cells most well-predicted by the model. CEP classification binarized PCa cells into top-ranked explanatory power (TREP; more well-predicted by the model) and non-TREP cells. In TRPM4-Ribo GAM plots, distribution pattern of TREP cells shifted at an inflection point (IP) i.e., the specific TRPM4 expression value that further binarized the plot into pre-IP (TRPM4 values below IP) and post-IP (TRPM4 values above IP) regions, producing a quadrant of TREP versus non-TREP cells for each PCa patient. Gene Ontology (GO) enrichment analysis showed that pre-IP TREP cells enriched for immune-related GOs, while post-IP TREP cells enriched for ribosomal, translation, and cell adhesion GOs. In conclusion, the CEP-IP framework based on pairwise genes produces quadrants of cancer cell subpopulations, enabling the identification of distinctive biology with potential therapeutic implications.

  • 1 authors
·
Sep 15, 2025

Maximizing Efficiency of Dataset Compression for Machine Learning Potentials With Information Theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets, and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

  • 3 authors
·
Nov 13, 2025

A general language model for peptide identification

Advances in peptide identification are revolutionizing our ability to decipher protein functions and accelerate therapeutic discovery. We present PDeepPP, a deep learning framework that integrates pretrained protein language models with parallel transformer-CNN architectures, achieving state-of-the-art performance in peptide characterization tasks. The model's hybrid architecture demonstrates unique capabilities in capturing both local sequence motifs and global structural features, as evidenced by 29% improved cluster separation in UMAP visualizations compared to conventional approaches. Evaluated across 33 biological recognition tasks - including post-translational modification site prediction and bioactive peptide identification - PDeepPP outperformed existing methods in 25 tasks with average AUC improvements of 4.2%. Notably, it achieved 0.9726 accuracy with PR AUC 0.9977 in antimicrobial peptide detection while reducing false negatives by 37.5% in antimalarial recognition scenarios. This framework enables accurate large-scale peptide analysis, achieving 218* acceleration over sequence-alignment-based methods while maintaining 99.5% specificity in critical glycosylation site detection.PDeepPP establishes a new paradigm for computational peptide analysis through its synergistic architecture design, enabling rapid yet precise functional annotation that bridges molecular pattern recognition with translational biomedical applications.We have made our implementation, including code, data, and pretrained models, publicly available via GitHub (https://github.com/fondress/PDeepPP) and Hugging Face (https://huggingface.co/fondress/PDeppPP).

  • 8 authors
·
Feb 21, 2025

Multi-resolution Networks For Flexible Irregular Time Series Modeling (Multi-FIT)

Missing values, irregularly collected samples, and multi-resolution signals commonly occur in multivariate time series data, making predictive tasks difficult. These challenges are especially prevalent in the healthcare domain, where patients' vital signs and electronic records are collected at different frequencies and have occasionally missing information due to the imperfections in equipment or patient circumstances. Researchers have handled each of these issues differently, often handling missing data through mean value imputation and then using sequence models over the multivariate signals while ignoring the different resolution of signals. We propose a unified model named Multi-resolution Flexible Irregular Time series Network (Multi-FIT). The building block for Multi-FIT is the FIT network. The FIT network creates an informative dense representation at each time step using signal information such as last observed value, time difference since the last observed time stamp and overall mean for the signal. Vertical FIT (FIT-V) is a variant of FIT which also models the relationship between different temporal signals while creating the informative dense representations for the signal. The multi-FIT model uses multiple FIT networks for sets of signals with different resolutions, further facilitating the construction of flexible representations. Our model has three main contributions: a.) it does not impute values but rather creates informative representations to provide flexibility to the model for creating task-specific representations b.) it models the relationship between different signals in the form of support signals c.) it models different resolutions in parallel before merging them for the final prediction task. The FIT, FIT-V and Multi-FIT networks improve upon the state-of-the-art models for three predictive tasks, including the forecasting of patient survival.

  • 7 authors
·
Apr 30, 2019

PyMAF-X: Towards Well-aligned Full-body Model Regression from Monocular Images

We present PyMAF-X, a regression-based approach to recovering parametric full-body models from monocular images. This task is very challenging since minor parametric deviation may lead to noticeable misalignment between the estimated mesh and the input image. Moreover, when integrating part-specific estimations into the full-body model, existing solutions tend to either degrade the alignment or produce unnatural wrist poses. To address these issues, we propose a Pyramidal Mesh Alignment Feedback (PyMAF) loop in our regression network for well-aligned human mesh recovery and extend it as PyMAF-X for the recovery of expressive full-body models. The core idea of PyMAF is to leverage a feature pyramid and rectify the predicted parameters explicitly based on the mesh-image alignment status. Specifically, given the currently predicted parameters, mesh-aligned evidence will be extracted from finer-resolution features accordingly and fed back for parameter rectification. To enhance the alignment perception, an auxiliary dense supervision is employed to provide mesh-image correspondence guidance while spatial alignment attention is introduced to enable the awareness of the global contexts for our network. When extending PyMAF for full-body mesh recovery, an adaptive integration strategy is proposed in PyMAF-X to produce natural wrist poses while maintaining the well-aligned performance of the part-specific estimations. The efficacy of our approach is validated on several benchmark datasets for body, hand, face, and full-body mesh recovery, where PyMAF and PyMAF-X effectively improve the mesh-image alignment and achieve new state-of-the-art results. The project page with code and video results can be found at https://www.liuyebin.com/pymaf-x.

  • 7 authors
·
Jul 13, 2022

MESA: Effective Matching Redundancy Reduction by Semantic Area Segmentation

We propose MESA and DMESA as novel feature matching methods, which utilize Segment Anything Model (SAM) to effectively mitigate matching redundancy. The key insight of our methods is to establish implicit-semantic area matching prior to point matching, based on advanced image understanding of SAM. Then, informative area matches with consistent internal semantic are able to undergo dense feature comparison, facilitating precise inside-area point matching. Specifically, MESA adopts a sparse matching framework and first obtains candidate areas from SAM results through a novel Area Graph (AG). Then, area matching among the candidates is formulated as graph energy minimization and solved by graphical models derived from AG. To address the efficiency issue of MESA, we further propose DMESA as its dense counterpart, applying a dense matching framework. After candidate areas are identified by AG, DMESA establishes area matches through generating dense matching distributions. The distributions are produced from off-the-shelf patch matching utilizing the Gaussian Mixture Model and refined via the Expectation Maximization. With less repetitive computation, DMESA showcases a speed improvement of nearly five times compared to MESA, while maintaining competitive accuracy. Our methods are extensively evaluated on five datasets encompassing indoor and outdoor scenes. The results illustrate consistent performance improvements from our methods for five distinct point matching baselines across all datasets. Furthermore, our methods exhibit promise generalization and improved robustness against image resolution variations. The code is publicly available at https://github.com/Easonyesheng/A2PM-MESA.

  • 3 authors
·
Aug 1, 2024

ProMap: Datasets for Product Mapping in E-commerce

The goal of product mapping is to decide, whether two listings from two different e-shops describe the same products. Existing datasets of matching and non-matching pairs of products, however, often suffer from incomplete product information or contain only very distant non-matching products. Therefore, while predictive models trained on these datasets achieve good results on them, in practice, they are unusable as they cannot distinguish very similar but non-matching pairs of products. This paper introduces two new datasets for product mapping: ProMapCz consisting of 1,495 Czech product pairs and ProMapEn consisting of 1,555 English product pairs of matching and non-matching products manually scraped from two pairs of e-shops. The datasets contain both images and textual descriptions of the products, including their specifications, making them one of the most complete datasets for product mapping. Additionally, the non-matching products were selected in two phases, creating two types of non-matches -- close non-matches and medium non-matches. Even the medium non-matches are pairs of products that are much more similar than non-matches in other datasets -- for example, they still need to have the same brand and similar name and price. After simple data preprocessing, several machine learning algorithms were trained on these and two the other datasets to demonstrate the complexity and completeness of ProMap datasets. ProMap datasets are presented as a golden standard for further research of product mapping filling the gaps in existing ones.

  • 2 authors
·
Sep 13, 2023

ProteinJEPA: Latent prediction complements protein language models

Protein language models are trained primarily with masked language modeling (MLM), which predicts amino-acid identities at masked positions. We ask whether latent-space prediction can complement these token-level objectives under matched wall-clock budget. Across pretrained and random-init protein sequence encoders at 35--150M parameters, we find that the best protein-JEPA design is not all-position latent prediction but a variant: predicting latent targets only at masked positions, and retaining the MLM cross-entropy. We call this recipe masked-position MLM+JEPA. On a 16-task downstream suite (15 frozen linear probes plus SCOPe-40 zero-shot fold retrieval), under matched wall-clock budgets, this recipe wins more tasks than it loses against MLM-only continuation: 10 wins / 3 losses / 3 ties (hereafter W/L/T) on pretrained ESM2-35M, 11/2/3 on ESM2-150M while results in pretraining from scratch are mixed (6/8/2). Gains are seen for multiple models on 11 of 16 tasks, including stability, etaβeta-lactamase fitness, variant effect, intrinsic disorder, remote homology, enzyme classification, and SCOPe-40 fold retrieval. Tasks with more losses than wins are Fluorescence (TAPE) and Peptide-HLA Binding. All-position MLM+JEPA matches MLM-only overall but does not reproduce the masked-position gains. JEPA-only (no MLM) collapses in nearly every experiment. We conclude that JEPA, when combined with MLM, is competitive and can outperform pure MLM in pretraining and continued training, even under matched wall-clock budgets.

  • 3 authors
·
May 7 1

SPOCKMIP: Segmentation of Vessels in MRAs with Enhanced Continuity using Maximum Intensity Projection as Loss

Identification of vessel structures of different sizes in biomedical images is crucial in the diagnosis of many neurodegenerative diseases. However, the sparsity of good-quality annotations of such images makes the task of vessel segmentation challenging. Deep learning offers an efficient way to segment vessels of different sizes by learning their high-level feature representations and the spatial continuity of such features across dimensions. Semi-supervised patch-based approaches have been effective in identifying small vessels of one to two voxels in diameter. This study focuses on improving the segmentation quality by considering the spatial correlation of the features using the Maximum Intensity Projection~(MIP) as an additional loss criterion. Two methods are proposed with the incorporation of MIPs of label segmentation on the single~(z-axis) and multiple perceivable axes of the 3D volume. The proposed MIP-based methods produce segmentations with improved vessel continuity, which is evident in visual examinations of ROIs. Patch-based training is improved by introducing an additional loss term, MIP loss, to penalise the predicted discontinuity of vessels. A training set of 14 volumes is selected from the StudyForrest dataset comprising of 18 7-Tesla 3D Time-of-Flight~(ToF) Magnetic Resonance Angiography (MRA) images. The generalisation performance of the method is evaluated using the other unseen volumes in the dataset. It is observed that the proposed method with multi-axes MIP loss produces better quality segmentations with a median Dice of 80.245 pm 0.129. Also, the method with single-axis MIP loss produces segmentations with a median Dice of 79.749 pm 0.109. Furthermore, a visual comparison of the ROIs in the predicted segmentation reveals a significant improvement in the continuity of the vessels when MIP loss is incorporated into training.

  • 8 authors
·
Jul 11, 2024

POINT^{2}: A Polymer Informatics Training and Testing Database

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT^{2} (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT^{2} database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.

  • 5 authors
·
Mar 30, 2025

Training Foundation Models on a Full-Stack AMD Platform: Compute, Networking, and System Design

We report on the first large-scale mixture-of-experts (MoE) pretraining study on pure AMD hardware, utilizing both MI300X GPUs with Pollara interconnect. We distill practical guidance for both systems and model design. On the systems side, we deliver a comprehensive cluster and networking characterization: microbenchmarks for all core collectives (all-reduce, reduce-scatter, all-gather, broadcast) across message sizes and GPU counts on Pollara. To our knowledge, this is the first at this scale. We further provide MI300X microbenchmarks on kernel sizing and memory bandwidth to inform model design. On the modeling side, we introduce and apply MI300X-aware transformer sizing rules for attention and MLP blocks and justify MoE widths that jointly optimize training throughput and inference latency. We describe our training stack in depth, including often-ignored utilities such as fault-tolerance and checkpoint-reshaping, as well as detailed information on our training recipe. We also provide a preview of our model architecture and base model - ZAYA1 (760M active, 8.3B total parameters MoE) - which will be further improved upon in forthcoming papers. ZAYA1-base achieves performance comparable to leading base models such as Qwen3-4B and Gemma3-12B at its scale and larger, and outperforms models including Llama-3-8B and OLMoE across reasoning, mathematics, and coding benchmarks. Together, these results demonstrate that the AMD hardware, network, and software stack are mature and optimized enough for competitive large-scale pretraining.

Zyphra Zyphra
·
Nov 21, 2025 1

Protein Multimer Structure Prediction via Prompt Learning

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a step-wise assembly fashion using provided dimer structures and predicted protein-protein interactions~(PPIs). However, due to the biological gap in the formation of dimers and larger multimers, directly applying PPI prediction techniques can often cause a poor generalization to the MSP task. To address this challenge, we aim to extend the PPI knowledge to multimers of different scales~(i.e., chain numbers). Specifically, we propose \textsc{PromptMSP}, a pre-training and Prompt tuning framework for Multimer Structure Prediction. First, we tailor the source and target tasks for effective PPI knowledge learning and efficient inference, respectively. We design PPI-inspired prompt learning to narrow the gaps of two task formats and generalize the PPI knowledge to multimers of different scales. We provide a meta-learning strategy to learn a reliable initialization of the prompt model, enabling our prompting framework to effectively adapt to limited data for large-scale multimers. Empirically, we achieve both significant accuracy (RMSD and TM-Score) and efficiency improvements compared to advanced MSP models. The code, data and checkpoints are released at https://github.com/zqgao22/PromptMSP.

  • 6 authors
·
Feb 28, 2024

In defense of parameter sharing for model-compression

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

  • 2 authors
·
Oct 17, 2023

MIBench: Evaluating Multimodal Large Language Models over Multiple Images

Built on the power of LLMs, numerous multimodal large language models (MLLMs) have recently achieved remarkable performance on various vision-language tasks across multiple benchmarks. However, most existing MLLMs and benchmarks primarily focus on single-image input scenarios, leaving the performance of MLLMs when handling realistic multiple images remain underexplored. Although a few benchmarks consider multiple images, their evaluation dimensions and samples are very limited. Therefore, in this paper, we propose a new benchmark MIBench, to comprehensively evaluate fine-grained abilities of MLLMs in multi-image scenarios. Specifically, MIBench categorizes the multi-image abilities into three scenarios: multi-image instruction (MII), multimodal knowledge-seeking (MKS) and multimodal in-context learning (MIC), and constructs 13 tasks with a total of 13K annotated samples. During data construction, for MII and MKS, we extract correct options from manual annotations and create challenging distractors to obtain multiple-choice questions. For MIC, to enable an in-depth evaluation, we set four sub-tasks and transform the original datasets into in-context learning formats. We evaluate several open-source MLLMs and close-source MLLMs on the proposed MIBench. The results reveal that although current models excel in single-image tasks, they exhibit significant shortcomings when faced with multi-image inputs, such as confused fine-grained perception, limited multi-image reasoning, and unstable in-context learning. The annotated data in MIBench is available at https://huggingface.co/datasets/StarBottle/MIBench.

  • 11 authors
·
Jul 21, 2024 3

PEAR: Pixel-aligned Expressive humAn mesh Recovery

Reconstructing detailed 3D human meshes from a single in-the-wild image remains a fundamental challenge in computer vision. Existing SMPLX-based methods often suffer from slow inference, produce only coarse body poses, and exhibit misalignments or unnatural artifacts in fine-grained regions such as the face and hands. These issues make current approaches difficult to apply to downstream tasks. To address these challenges, we propose PEAR-a fast and robust framework for pixel-aligned expressive human mesh recovery. PEAR explicitly tackles three major limitations of existing methods: slow inference, inaccurate localization of fine-grained human pose details, and insufficient facial expression capture. Specifically, to enable real-time SMPLX parameter inference, we depart from prior designs that rely on high resolution inputs or multi-branch architectures. Instead, we adopt a clean and unified ViT-based model capable of recovering coarse 3D human geometry. To compensate for the loss of fine-grained details caused by this simplified architecture, we introduce pixel-level supervision to optimize the geometry, significantly improving the reconstruction accuracy of fine-grained human details. To make this approach practical, we further propose a modular data annotation strategy that enriches the training data and enhances the robustness of the model. Overall, PEAR is a preprocessing-free framework that can simultaneously infer EHM-s (SMPLX and scaled-FLAME) parameters at over 100 FPS. Extensive experiments on multiple benchmark datasets demonstrate that our method achieves substantial improvements in pose estimation accuracy compared to previous SMPLX-based approaches. Project page: https://wujh2001.github.io/PEAR

  • 7 authors
·
Jan 30

Weighted least-squares approximation with determinantal point processes and generalized volume sampling

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

  • 2 authors
·
Dec 21, 2023

Speedy MASt3R

Image matching is a key component of modern 3D vision algorithms, essential for accurate scene reconstruction and localization. MASt3R redefines image matching as a 3D task by leveraging DUSt3R and introducing a fast reciprocal matching scheme that accelerates matching by orders of magnitude while preserving theoretical guarantees. This approach has gained strong traction, with DUSt3R and MASt3R collectively cited over 250 times in a short span, underscoring their impact. However, despite its accuracy, MASt3R's inference speed remains a bottleneck. On an A40 GPU, latency per image pair is 198.16 ms, mainly due to computational overhead from the ViT encoder-decoder and Fast Reciprocal Nearest Neighbor (FastNN) matching. To address this, we introduce Speedy MASt3R, a post-training optimization framework that enhances inference efficiency while maintaining accuracy. It integrates multiple optimization techniques, including FlashMatch-an approach leveraging FlashAttention v2 with tiling strategies for improved efficiency, computation graph optimization via layer and tensor fusion having kernel auto-tuning with TensorRT (GraphFusion), and a streamlined FastNN pipeline that reduces memory access time from quadratic to linear while accelerating block-wise correlation scoring through vectorized computation (FastNN-Lite). Additionally, it employs mixed-precision inference with FP16/FP32 hybrid computations (HybridCast), achieving speedup while preserving numerical precision. Evaluated on Aachen Day-Night, InLoc, 7-Scenes, ScanNet1500, and MegaDepth1500, Speedy MASt3R achieves a 54% reduction in inference time (198 ms to 91 ms per image pair) without sacrificing accuracy. This advancement enables real-time 3D understanding, benefiting applications like mixed reality navigation and large-scale 3D scene reconstruction.

  • 6 authors
·
Mar 12, 2025

Accurate Block Quantization in LLMs with Outliers

The demand for inference on extremely large scale LLMs has seen enormous growth in the recent months. It made evident the colossal shortage of dedicated hardware capable of efficient and fast processing of the involved compute and memory movement. The problem is aggravated by the exploding raise in the lengths of the sequences being processed, since those require efficient on-chip storage of the KV-cache of size proportional to the sequence length. To make the required compute feasible and fit the involved data into available memory, numerous quantization techniques have been proposed that allow accurate quantization for both weights and activations. One of the main recent breakthroughs in this direction was introduction of the family of Block Floating Point (BFP) formats characterized by a block of mantissas with a shared scale factor. These enable memory- power-, and compute- efficient hardware support of the tensor operations and provide extremely good quantization accuracy. The main issues preventing widespread application of block formats is caused by the presence of outliers in weights and activations since those affect the accuracy of the other values in the same block. In this paper, we focus on the most critical problem of limited KV-cache storage. We propose a novel approach enabling usage of low precision BFP formats without compromising the resulting model accuracy. We exploit the common channel-wise patterns exhibited by the outliers to rearrange them in such a way, that their quantization quality is significantly improved. The methodology yields 2x savings in the memory footprint without significant degradation of the model's accuracy. Importantly, the rearrangement of channels happens at the compile time and thus has no impact on the inference latency.

  • 2 authors
·
Mar 29, 2024

ML-SIM: A deep neural network for reconstruction of structured illumination microscopy images

Structured illumination microscopy (SIM) has become an important technique for optical super-resolution imaging because it allows a doubling of image resolution at speeds compatible for live-cell imaging. However, the reconstruction of SIM images is often slow and prone to artefacts. Here we propose a versatile reconstruction method, ML-SIM, which makes use of machine learning. The model is an end-to-end deep residual neural network that is trained on a simulated data set to be free of common SIM artefacts. ML-SIM is thus robust to noise and irregularities in the illumination patterns of the raw SIM input frames. The reconstruction method is widely applicable and does not require the acquisition of experimental training data. Since the training data are generated from simulations of the SIM process on images from generic libraries the method can be efficiently adapted to specific experimental SIM implementations. The reconstruction quality enabled by our method is compared with traditional SIM reconstruction methods, and we demonstrate advantages in terms of noise, reconstruction fidelity and contrast for both simulated and experimental inputs. In addition, reconstruction of one SIM frame typically only takes ~100ms to perform on PCs with modern Nvidia graphics cards, making the technique compatible with real-time imaging. The full implementation and the trained networks are available at http://ML-SIM.com.

  • 4 authors
·
Mar 24, 2020

Learning to Reconstruct 3D Human Pose and Shape via Model-fitting in the Loop

Model-based human pose estimation is currently approached through two different paradigms. Optimization-based methods fit a parametric body model to 2D observations in an iterative manner, leading to accurate image-model alignments, but are often slow and sensitive to the initialization. In contrast, regression-based methods, that use a deep network to directly estimate the model parameters from pixels, tend to provide reasonable, but not pixel accurate, results while requiring huge amounts of supervision. In this work, instead of investigating which approach is better, our key insight is that the two paradigms can form a strong collaboration. A reasonable, directly regressed estimate from the network can initialize the iterative optimization making the fitting faster and more accurate. Similarly, a pixel accurate fit from iterative optimization can act as strong supervision for the network. This is the core of our proposed approach SPIN (SMPL oPtimization IN the loop). The deep network initializes an iterative optimization routine that fits the body model to 2D joints within the training loop, and the fitted estimate is subsequently used to supervise the network. Our approach is self-improving by nature, since better network estimates can lead the optimization to better solutions, while more accurate optimization fits provide better supervision for the network. We demonstrate the effectiveness of our approach in different settings, where 3D ground truth is scarce, or not available, and we consistently outperform the state-of-the-art model-based pose estimation approaches by significant margins. The project website with videos, results, and code can be found at https://seas.upenn.edu/~nkolot/projects/spin.

  • 4 authors
·
Sep 27, 2019

Towards Metrical Reconstruction of Human Faces

Face reconstruction and tracking is a building block of numerous applications in AR/VR, human-machine interaction, as well as medical applications. Most of these applications rely on a metrically correct prediction of the shape, especially, when the reconstructed subject is put into a metrical context (i.e., when there is a reference object of known size). A metrical reconstruction is also needed for any application that measures distances and dimensions of the subject (e.g., to virtually fit a glasses frame). State-of-the-art methods for face reconstruction from a single image are trained on large 2D image datasets in a self-supervised fashion. However, due to the nature of a perspective projection they are not able to reconstruct the actual face dimensions, and even predicting the average human face outperforms some of these methods in a metrical sense. To learn the actual shape of a face, we argue for a supervised training scheme. Since there exists no large-scale 3D dataset for this task, we annotated and unified small- and medium-scale databases. The resulting unified dataset is still a medium-scale dataset with more than 2k identities and training purely on it would lead to overfitting. To this end, we take advantage of a face recognition network pretrained on a large-scale 2D image dataset, which provides distinct features for different faces and is robust to expression, illumination, and camera changes. Using these features, we train our face shape estimator in a supervised fashion, inheriting the robustness and generalization of the face recognition network. Our method, which we call MICA (MetrIC fAce), outperforms the state-of-the-art reconstruction methods by a large margin, both on current non-metric benchmarks as well as on our metric benchmarks (15% and 24% lower average error on NoW, respectively).

  • 3 authors
·
Apr 13, 2022

MedPMC: A Systematic Framework for Scaling High-Fidelity Medical Multimodal Data for Foundation Models

Medicine is inherently multimodal, requiring clinicians to synthesize information across diverse data streams. Yet the development of multimodal foundation models is constrained by limited access to large-scale, high-quality clinical data. Although PubMed Central (PMC) offers a complementary source of expert-authored image-text data, existing PMC-derived resources remain limited in fidelity, reproducibility, and clinical validation. We introduce MedPMC, an automated, continuously updatable framework that transforms permissively licensed literature into high-fidelity infrastructure for medical multimodal models. Applied to 6.1 million PMC articles, MedPMC curated 11 million medical image-text pairs. Component evaluations showed strong performance for initial screening (F1 = 93.2), multi-panel figure detection (F1 = 96.5), figure separation (mAP = 89.8), caption separation and alignment (F1 = 81.4; ROUGE-L = 85.3), and medical figure classification (F1 = 96.5). Manual review by five annotators, three with medical training, found 95.3% of MedPMC images medically relevant, versus 19.7% in a prior PMC-derived dataset. Across 26 benchmarks spanning 11 specialties, a MedPMC-trained CLIP-style model improved average zero-shot AUC by 7.1 percentage points over the strongest architecture-matched biomedical CLIP baseline despite using fewer than half as many image-text pairs. As the vision encoder in a multimodal large language model, it improved medical visual question-answering by 1.9 and 16.9 percentage points across two benchmarks. In 10,524 Yale New Haven Health System dermatology photographs, it improved morphology-to-image retrieval Recall@5 by 11.7 percentage points. These findings show that high-fidelity literature curation strengthens medical multimodal foundation models across benchmark and clinical settings. We publicly release the framework, corpus, benchmarks, and pretrained models.

HyMamba: Mamba with Hybrid Geometry-Feature Coupling for Efficient Point Cloud Classification

Point cloud classification is one of the essential technologies for achieving intelligent perception of 3D environments by machines, its core challenge is to efficiently extract local and global features. Mamba leverages state space models (SSMs) for global point cloud modeling. Although prior Mamba-based point cloud processing methods pay attention to the limitation of its flattened sequence modeling mechanism in fusing local and global features, the critical issue of weakened local geometric relevance caused by decoupling geometric structures and features in the input patches remains not fully revealed, and both jointly limit local feature extraction. Therefore, we propose HyMamba, a geometry and feature coupled Mamba framework featuring: (1) Geometry-Feature Coupled Pooling (GFCP), which achieves physically interpretable geometric information coupling by dynamically aggregating adjacent geometric information into local features; (2) Collaborative Feature Enhancer (CoFE), which enhances sparse signal capture through cross-path feature hybridization while effectively integrating global and local contexts. We conducted extensive experiments on ModelNet40 and ScanObjectNN datasets. The results demonstrate that the proposed model achieves superior classification performance, particularly on the ModelNet40, where it elevates accuracy to 95.99% with merely 0.03M additional parameters. Furthermore, it attains 98.9% accuracy on the ModelNetFewShot dataset, validating its robust generalization capabilities under sparse samples. Our code and weights are available at https://github.com/L1277471578/HyMamba

  • 5 authors
·
May 16, 2025

Harnessing Massive Satellite Imagery with Efficient Masked Image Modeling

Masked Image Modeling (MIM) has become an essential method for building foundational visual models in remote sensing (RS). However, the limitations in size and diversity of existing RS datasets restrict the ability of MIM methods to learn generalizable representations. Additionally, conventional MIM techniques, which require reconstructing all tokens, introduce unnecessary computational overhead. To address these issues, we present a new pre-training pipeline for RS models, featuring the creation of a large-scale RS dataset and an efficient MIM approach. We curated a high-quality dataset named OpticalRS-13M by collecting publicly available RS datasets and processing them through exclusion, slicing, and deduplication. OpticalRS-13M comprises 13 million optical images covering various RS tasks, such as object detection and pixel segmentation. To enhance efficiency, we propose SelectiveMAE, a pre-training method that dynamically encodes and reconstructs semantically rich patch tokens, thereby reducing the inefficiencies of traditional MIM models caused by redundant background pixels in RS images. Extensive experiments show that OpticalRS-13M significantly improves classification, detection, and segmentation performance, while SelectiveMAE increases training efficiency over 2times times. This highlights the effectiveness and scalability of our pipeline in developing RS foundational models. The dataset, source code, and trained models will be released at https://github.com/MiliLab/SelectiveMAE.

  • 8 authors
·
Jun 17, 2024

Revisiting the Parameter Efficiency of Adapters from the Perspective of Precision Redundancy

Current state-of-the-art results in computer vision depend in part on fine-tuning large pre-trained vision models. However, with the exponential growth of model sizes, the conventional full fine-tuning, which needs to store a individual network copy for each tasks, leads to increasingly huge storage and transmission overhead. Adapter-based Parameter-Efficient Tuning (PET) methods address this challenge by tuning lightweight adapters inserted into the frozen pre-trained models. In this paper, we investigate how to make adapters even more efficient, reaching a new minimum size required to store a task-specific fine-tuned network. Inspired by the observation that the parameters of adapters converge at flat local minima, we find that adapters are resistant to noise in parameter space, which means they are also resistant to low numerical precision. To train low-precision adapters, we propose a computational-efficient quantization method which minimizes the quantization error. Through extensive experiments, we find that low-precision adapters exhibit minimal performance degradation, and even 1-bit precision is sufficient for adapters. The experimental results demonstrate that 1-bit adapters outperform all other PET methods on both the VTAB-1K benchmark and few-shot FGVC tasks, while requiring the smallest storage size. Our findings show, for the first time, the significant potential of quantization techniques in PET, providing a general solution to enhance the parameter efficiency of adapter-based PET methods. Code: https://github.com/JieShibo/PETL-ViT

  • 3 authors
·
Jul 31, 2023

POMATO: Marrying Pointmap Matching with Temporal Motion for Dynamic 3D Reconstruction

3D reconstruction in dynamic scenes primarily relies on the combination of geometry estimation and matching modules where the latter task is pivotal for distinguishing dynamic regions which can help to mitigate the interference introduced by camera and object motion. Furthermore, the matching module explicitly models object motion, enabling the tracking of specific targets and advancing motion understanding in complex scenarios. Recently, the proposed representation of pointmap in DUSt3R suggests a potential solution to unify both geometry estimation and matching in 3D space, but it still struggles with ambiguous matching in dynamic regions, which may hamper further improvement. In this work, we present POMATO, a unified framework for dynamic 3D reconstruction by marrying pointmap matching with temporal motion. Specifically, our method first learns an explicit matching relationship by mapping RGB pixels from both dynamic and static regions across different views to 3D pointmaps within a unified coordinate system. Furthermore, we introduce a temporal motion module for dynamic motions that ensures scale consistency across different frames and enhances performance in tasks requiring both precise geometry and reliable matching, most notably 3D point tracking. We show the effectiveness of the proposed pointmap matching and temporal fusion paradigm by demonstrating the remarkable performance across multiple downstream tasks, including video depth estimation, 3D point tracking, and pose estimation. Code and models are publicly available at https://github.com/wyddmw/POMATO.

  • 7 authors
·
Apr 8, 2025

Revisiting Data Challenges of Computational Pathology: A Pack-based Multiple Instance Learning Framework

Computational pathology (CPath) digitizes pathology slides into whole slide images (WSIs), enabling analysis for critical healthcare tasks such as cancer diagnosis and prognosis. However, WSIs possess extremely long sequence lengths (up to 200K), significant length variations (from 200 to 200K), and limited supervision. These extreme variations in sequence length lead to high data heterogeneity and redundancy. Conventional methods often compromise on training efficiency and optimization to preserve such heterogeneity under limited supervision. To comprehensively address these challenges, we propose a pack-based MIL framework. It packs multiple sampled, variable-length feature sequences into fixed-length ones, enabling batched training while preserving data heterogeneity. Moreover, we introduce a residual branch that composes discarded features from multiple slides into a hyperslide which is trained with tailored labels. It offers multi-slide supervision while mitigating feature loss from sampling. Meanwhile, an attention-driven downsampler is introduced to compress features in both branches to reduce redundancy. By alleviating these challenges, our approach achieves an accuracy improvement of up to 8% while using only 12% of the training time in the PANDA(UNI). Extensive experiments demonstrate that focusing data challenges in CPath holds significant potential in the era of foundation models. The code is https://github.com/FangHeng/PackMIL

  • 5 authors
·
Sep 25, 2025

LeNEPA: No-Augmentation Next-Latent Prediction for Time-Series Representation Learning

Time series are central to modern data mining applications, from industrial telemetry and server metrics to finance and physiology, yet time-series self-supervised learning often depends on view and augmentation choices that encode domain-specific invariances. We study how an SSL recipe behaves when its method-specific configuration is reused unchanged after the pretraining signal family changes, framing this as a fixed-recipe stress test rather than a comparison against optimally tuned methods. We introduce Latent Euclidean Next-Embedding Prediction Architecture (LeNEPA), a no-augmentation next-latent-token objective with a causal backbone. LeNEPA replaces the stop-gradient/EMA stabilization used by vanilla NEPA with SIGReg-based isotropy regularization and computes the predictive loss in a lightweight projected space that is discarded for evaluation. We compare LeNEPA with an ECG-tuned JEPA recipe under a fixed-horizon frozen-probe protocol on PTB-XL and Diag, a synthetic diagnostic corpus generated with Aionoscope. Both methods are retrained independently on each dataset while keeping their method-specific recipes unchanged. In this protocol, the ECG-tuned JEPA recipe is strong in-domain on PTB-XL but weaker when reused unchanged on Diag, whereas LeNEPA preserves useful frozen-probe gains on both datasets. Learning curves suggest faster early representation acquisition: LeNEPA reaches 80% of its final AUROC/AUPRC gain after 2--5k updates, compared with 5--10k updates for the faster JEPA readout. As a separate external frozen-encoder check, a CauKer-pretrained LeNEPA variant reaches 77.65% mean UCR-128 Random-Forest accuracy in a single-seed, best-checkpoint run, within 1.16 points of Mantis and within 0.24 points of MOMENT (77.89%). Overall, the results support no-augmentation latent prediction as a useful candidate recipe for low-retuning time-series SSL.

  • 3 authors
·
Jun 30

DPM-Solver-v3: Improved Diffusion ODE Solver with Empirical Model Statistics

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

  • 4 authors
·
Oct 20, 2023 2

FishDet-M: A Unified Large-Scale Benchmark for Robust Fish Detection and CLIP-Guided Model Selection in Diverse Aquatic Visual Domains

Accurate fish detection in underwater imagery is essential for ecological monitoring, aquaculture automation, and robotic perception. However, practical deployment remains limited by fragmented datasets, heterogeneous imaging conditions, and inconsistent evaluation protocols. To address these gaps, we present FishDet-M, the largest unified benchmark for fish detection, comprising 13 publicly available datasets spanning diverse aquatic environments including marine, brackish, occluded, and aquarium scenes. All data are harmonized using COCO-style annotations with both bounding boxes and segmentation masks, enabling consistent and scalable cross-domain evaluation. We systematically benchmark 28 contemporary object detection models, covering the YOLOv8 to YOLOv12 series, R-CNN based detectors, and DETR based models. Evaluations are conducted using standard metrics including mAP, mAP@50, and mAP@75, along with scale-specific analyses (AP_S, AP_M, AP_L) and inference profiling in terms of latency and parameter count. The results highlight the varying detection performance across models trained on FishDet-M, as well as the trade-off between accuracy and efficiency across models of different architectures. To support adaptive deployment, we introduce a CLIP-based model selection framework that leverages vision-language alignment to dynamically identify the most semantically appropriate detector for each input image. This zero-shot selection strategy achieves high performance without requiring ensemble computation, offering a scalable solution for real-time applications. FishDet-M establishes a standardized and reproducible platform for evaluating object detection in complex aquatic scenes. All datasets, pretrained models, and evaluation tools are publicly available to facilitate future research in underwater computer vision and intelligent marine systems.

  • 3 authors
·
Jul 23, 2025

PySIFT: GPU-Resident Deterministic SIFT for Deep Learning Vision Pipelines

A widespread assumption in local feature research holds that classical handcrafted descriptors are accuracy-limited relics best replaced by learned alternatives. We show this is wrong. Through an 8-configuration ablation spanning four benchmarks (HPatches, ROxford5K, IMC Phototourism, MegaDepth), we demonstrate that classical SIFT with DSP multi-scale pooling outperforms neural descriptor and orientation replacements (HardNet, OriNet) on every accuracy metric--while running 2--18times faster--and that learned matchers (LightGlue) complement rather than supersede classical features. The conclusion reframes a decade of work: not "replace SIFT" but "compose with SIFT," classical extraction paired with learned matching only where geometric context demands it. This finding was invisible because no prior GPU SIFT kept the complete pipeline in VRAM or offered modularity for controlled classical-vs-learned ablations. We present PySIFT, the first fully GPU-resident SIFT, implemented in CuPy/Numba CUDA kernels with DLPack zero-copy handoff to downstream DL frameworks--submillisecond O(1) metadata swap regardless of keypoint count. On a laptop-grade NVIDIA RTX 3050 (4 GB VRAM), PySIFT achieves: (i) higher Mean Matching Accuracy (MMA) than OpenCV SIFT on HPatches, (ii) 383 ms faster per pair on high-resolution MegaDepth, (iii) higher geometric accuracy on cross-dataset benchmarks (+5.6 pp AUC@10{}^circ on MegaDepth, more inliers on IMC Phototourism), and (iv) bitwise deterministic output--identical keypoints and descriptors across runs, with detection reproducing identically even across GPU architectures: a guarantee that learned extractors cannot match without significant performance sacrifice, and cannot achieve at all across GPU architectures due to cuDNN's architecture-dependent algorithm selection. PySIFT is open-source, requiring no C++ compilation.

  • 3 authors
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May 17

MSWEP V3: Machine Learning-Powered Global Precipitation Estimates at 0.1^circ Hourly Resolution (1979-Present)

We introduce Version 3 (V3) of the gridded near real-time Multi-Source Weighted-Ensemble Precipitation (MSWEP) product -- the first fully global, historical machine learning powered precipitation (P) dataset, developed to meet the growing demand for timely and accurate P estimates amid escalating climate challenges. MSWEP V3 provides hourly data at 0.1^circ resolution from 1979 to the present, continuously updated with a latency of approximately two hours. Development follows a two-stage process. First, baseline P fields are generated using machine learning model stacks that integrate satellite- and (re)analysis-based P and air-temperature products, along with static variables. The models are trained using hourly and daily observations from 15,959 P gauges worldwide. Second, these baseline P fields are corrected using daily and monthly gauge observations from 57,666 and 86,000 stations globally. To assess MSWEP V3's baseline performance, we evaluated 19 (quasi-) global gridded P products -- including both uncorrected and gauge-based products -- using observations from an independent set of 15,958 gauges excluded from the first training stage. The MSWEP V3 baseline achieved a median daily Kling-Gupta Efficiency (KGE) of 0.69, outperforming all evaluated products. Other uncorrected products achieved median daily KGE values of 0.61 (ERA5), 0.46 (IMERG-L V7), 0.38 (GSMaP V8), and 0.31 (CHIRP). Using leave-one-out cross-validation, the daily gauge correction was found to improve the median daily correlation by 0.09, constrained by the already strong baseline performance. We anticipate that MSWEP V3 -- accessible at www.gloh2o.org/mswep -- will enable more reliable monitoring, forecasting, and management of water-related risks in a variable and changing climate.

  • 15 authors
·
Feb 1

SMASH: Sparse Matrix Atomic Scratchpad Hashing

Sparse matrices, more specifically SpGEMM kernels, are commonly found in a wide range of applications, spanning graph-based path-finding to machine learning algorithms (e.g., neural networks). A particular challenge in implementing SpGEMM kernels has been the pressure placed on DRAM memory. One approach to tackle this problem is to use an inner product method for the SpGEMM kernel implementation. While the inner product produces fewer intermediate results, it can end up saturating the memory bandwidth, given the high number of redundant fetches of the input matrix elements. Using an outer product-based SpGEMM kernel can reduce redundant fetches, but at the cost of increased overhead due to extra computation and memory accesses for producing/managing partial products. In this thesis, we introduce a novel SpGEMM kernel implementation based on the row-wise product approach. We leverage atomic instructions to merge intermediate partial products as they are generated. The use of atomic instructions eliminates the need to create partial product matrices. To evaluate our row-wise product approach, we map an optimized SpGEMM kernel to a custom accelerator designed to accelerate graph-based applications. The targeted accelerator is an experimental system named PIUMA, being developed by Intel. PIUMA provides several attractive features, including fast context switching, user-configurable caches, globally addressable memory, non-coherent caches, and asynchronous pipelines. We tailor our SpGEMM kernel to exploit many of the features of the PIUMA fabric. This thesis compares our SpGEMM implementation against prior solutions, all mapped to the PIUMA framework. We briefly describe some of the PIUMA architecture features and then delve into the details of our optimized SpGEMM kernel. Our SpGEMM kernel can achieve 9.4x speedup as compared to competing approaches.

  • 1 authors
·
May 28, 2021

Bayesian aggregation of average data: An application in drug development

Throughout the different phases of a drug development program, randomized trials are used to establish the tolerability, safety, and efficacy of a candidate drug. At each stage one aims to optimize the design of future studies by extrapolation from the available evidence at the time. This includes collected trial data and relevant external data. However, relevant external data are typically available as averages only, for example from trials on alternative treatments reported in the literature. Here we report on such an example from a drug development for wet age-related macular degeneration. This disease is the leading cause of severe vision loss in the elderly. While current treatment options are efficacious, they are also a substantial burden for the patient. Hence, new treatments are under development which need to be compared against existing treatments. The general statistical problem this leads to is meta-analysis, which addresses the question of how we can combine datasets collected under different conditions. Bayesian methods have long been used to achieve partial pooling. Here we consider the challenge when the model of interest is complex (hierarchical and nonlinear) and one dataset is given as raw data while the second dataset is given as averages only. In such a situation, common meta-analytic methods can only be applied when the model is sufficiently simple for analytic approaches. When the model is too complex, for example nonlinear, an analytic approach is not possible. We provide a Bayesian solution by using simulation to approximately reconstruct the likelihood of the external summary and allowing the parameters in the model to vary under the different conditions. We first evaluate our approach using fake-data simulations and then report results for the drug development program that motivated this research.

  • 6 authors
·
May 12, 2020

Optimizing Breast Cancer Detection in Mammograms: A Comprehensive Study of Transfer Learning, Resolution Reduction, and Multi-View Classification

Mammography, an X-ray-based imaging technique, remains central to the early detection of breast cancer. Recent advances in artificial intelligence have enabled increasingly sophisticated computer-aided diagnostic methods, evolving from patch-based classifiers to whole-image approaches and then to multi-view architectures that jointly analyze complementary projections. Despite this progress, several critical questions remain unanswered. In this study, we systematically investigate these issues by addressing five key research questions: (1) the role of patch classifiers in performance, (2) the transferability of natural-image-trained backbones, (3) the advantages of learn-to-resize over conventional downscaling, (4) the contribution of multi-view integration, and (5) the robustness of findings across varying image quality. Beyond benchmarking, our experiments demonstrate clear performance gains over prior work. For the CBIS-DDSM dataset, we improved single-view AUC from 0.8153 to 0.8343, and multiple-view AUC from 0.8483 to 0.8658. Using a new comparative method, we also observed a 0.0217 AUC increase when extending from single to multiple-view analysis. On the complete VinDr-Mammo dataset, the multiple-view approach further improved results, achieving a 0.0492 AUC increase over single view and reaching 0.8511 AUC overall. These results establish new state-of-the-art benchmarks, providing clear evidence of the advantages of multi-view architectures for mammogram interpretation. Beyond performance, our analysis offers principled insights into model design and transfer learning strategies, contributing to the development of more accurate and reliable breast cancer screening tools. The inference code and trained models are publicly available at https://github.com/dpetrini/multiple-view.

  • 2 authors
·
Mar 25, 2025

Solve for the Hyperparameter, Skip the Search: Kolmogorov-Optimal Scaling Laws for Spline Regression

Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.

  • 2 authors
·
Jun 21

MambaMIM: Pre-training Mamba with State Space Token Interpolation and its Application to Medical Image Segmentation

Recently, the state space model Mamba has demonstrated efficient long-sequence modeling capabilities, particularly for addressing long-sequence visual tasks in 3D medical imaging. However, existing generative self-supervised learning methods have not yet fully unleashed Mamba's potential for handling long-range dependencies because they overlook the inherent causal properties of state space sequences in masked modeling. To address this challenge, we propose a general-purpose pre-training framework called MambaMIM, a masked image modeling method based on a novel TOKen-Interpolation strategy (TOKI) for the selective structure state space sequence, which learns causal relationships of state space within the masked sequence. Further, MambaMIM introduces a bottom-up 3D hybrid masking strategy to maintain a masking consistency across different architectures and can be used on any single or hybrid Mamba architecture to enhance its multi-scale and long-range representation capability. We pre-train MambaMIM on a large-scale dataset of 6.8K CT scans and evaluate its performance across eight public medical segmentation benchmarks. Extensive downstream experiments reveal the feasibility and advancement of using Mamba for medical image pre-training. In particular, when we apply the MambaMIM to a customized architecture that hybridizes MedNeXt and Vision Mamba, we consistently obtain the state-of-the-art segmentation performance. The code is available at: https://github.com/FengheTan9/MambaMIM.

  • 7 authors
·
Aug 15, 2024

IndustryBench-MIPU: Benchmarking Multi-Image Attribute Value Extraction for Industrial Products

Industrial products such as valves and circuit breakers are defined by dense technical specifications that govern procurement, compatibility, and safety across supply chains. These specifications are scattered across multiple heterogeneous product images, including specification tables, nameplates, and technical drawings, yet whether Multimodal Large Language Models (MLLMs) can reliably recover them remains underexplored. To fill this gap, we introduce IndustryBench-MIPU, the first large-scale benchmark for multi-image industrial product understanding, built around structured attribute extraction -- recovering property-value pairs from product images. This task jointly probes text recognition on specification tables and nameplates, visual reasoning over technical drawings, domain knowledge to decode industrial terminology, and cross-image evidence integration to assemble scattered specifications. Concretely, the benchmark comprises 4,559 products across 27,652 images with 103,703 annotations spanning 18 industrial categories, constructed through multi-model consensus and three-tier quality assurance. Evaluating nine MLLMs under both single-image and product-level multi-image settings reveals a stark completeness gap: models achieve high precision (86--94%) but the best recovers only 49.9% of product-level attributes; moving from single-image to multi-image extraction costs 15--34 percentage points of recall. Multi-image completeness, not single-image accuracy, is the core bottleneck. Dataset and code are publicly available.

Mixed Magnification Aggregation for Generalizable Region-Level Representations in Computational Pathology

In recent years, a standard computational pathology workflow has emerged where whole slide images are cropped into tiles, these tiles are processed using a foundation model, and task-specific models are built using the resulting representations. At least 15 different foundation models have been proposed, and the vast majority are trained exclusively with tiles using the 20times magnification. However, it is well known that certain histologic features can only be discerned with larger context windows and requires a pathologist to zoom in and out when analyzing a whole slide image. Furthermore, creating 224times224 pixel crops at 20times leads to a large number of tiles per slide, which can be gigapixel in size. To more accurately capture multi-resolution features and investigate the possibility of reducing the number of representations per slide, we propose a region-level mixing encoder. Our approach jointly fuses image tile representations of a mixed magnification foundation model using a masked embedding modeling pretraining step. We explore a design space for pretraining the proposed mixed-magnification region aggregators and evaluate our models on transfer to biomarker prediction tasks representing various cancer types. Results demonstrate cancer dependent improvements in predictive performance, highlighting the importance of spatial context and understanding.

  • 10 authors
·
Feb 24

MIFNet: Learning Modality-Invariant Features for Generalizable Multimodal Image Matching

Many keypoint detection and description methods have been proposed for image matching or registration. While these methods demonstrate promising performance for single-modality image matching, they often struggle with multimodal data because the descriptors trained on single-modality data tend to lack robustness against the non-linear variations present in multimodal data. Extending such methods to multimodal image matching often requires well-aligned multimodal data to learn modality-invariant descriptors. However, acquiring such data is often costly and impractical in many real-world scenarios. To address this challenge, we propose a modality-invariant feature learning network (MIFNet) to compute modality-invariant features for keypoint descriptions in multimodal image matching using only single-modality training data. Specifically, we propose a novel latent feature aggregation module and a cumulative hybrid aggregation module to enhance the base keypoint descriptors trained on single-modality data by leveraging pre-trained features from Stable Diffusion models. We validate our method with recent keypoint detection and description methods in three multimodal retinal image datasets (CF-FA, CF-OCT, EMA-OCTA) and two remote sensing datasets (Optical-SAR and Optical-NIR). Extensive experiments demonstrate that the proposed MIFNet is able to learn modality-invariant feature for multimodal image matching without accessing the targeted modality and has good zero-shot generalization ability. The source code will be made publicly available.

  • 7 authors
·
Jan 20, 2025

MIST: Mutual Information Via Supervised Training

We propose a fully data-driven approach to designing mutual information (MI) estimators. Since any MI estimator is a function of the observed sample from two random variables, we parameterize this function with a neural network (MIST) and train it end-to-end to predict MI values. Training is performed on a large meta-dataset of 625,000 synthetic joint distributions with known ground-truth MI. To handle variable sample sizes and dimensions, we employ a two-dimensional attention scheme ensuring permutation invariance across input samples. To quantify uncertainty, we optimize a quantile regression loss, enabling the estimator to approximate the sampling distribution of MI rather than return a single point estimate. This research program departs from prior work by taking a fully empirical route, trading universal theoretical guarantees for flexibility and efficiency. Empirically, the learned estimators largely outperform classical baselines across sample sizes and dimensions, including on joint distributions unseen during training. The resulting quantile-based intervals are well-calibrated and more reliable than bootstrap-based confidence intervals, while inference is orders of magnitude faster than existing neural baselines. Beyond immediate empirical gains, this framework yields trainable, fully differentiable estimators that can be embedded into larger learning pipelines. Moreover, exploiting MI's invariance to invertible transformations, meta-datasets can be adapted to arbitrary data modalities via normalizing flows, enabling flexible training for diverse target meta-distributions.

  • 5 authors
·
Nov 24, 2025 2

SlimMoE: Structured Compression of Large MoE Models via Expert Slimming and Distillation

The Mixture of Experts (MoE) architecture has emerged as a powerful paradigm for scaling large language models (LLMs) while maintaining inference efficiency. However, their enormous memory requirements make them prohibitively expensive to fine-tune or deploy in resource-constrained environments. To address this challenge, we introduce SlimMoE, a multi-stage compression framework for transforming large MoE models into much smaller, efficient variants without incurring the prohibitive costs of training from scratch. Our method systematically reduces parameter counts by slimming experts and transferring knowledge through intermediate stages, effectively mitigating the performance degradation common in one-shot pruning approaches. Using this framework, we compress Phi 3.5-MoE (41.9B total/6.6B activated parameters) to create Phi-mini-MoE (7.6B total/2.4B activated parameters) and Phi-tiny-MoE (3.8B total/1.1B activated parameters) using only 400B tokens--less than 10% of the original model's training data. These compressed models can be fine-tuned on a single GPU (A100 for Phi-mini-MoE, A6000 for Phi-tiny-MoE), making them highly suitable for academic and resource-limited settings. Our experiments demonstrate that these compressed models outperform others of similar size and remain competitive with larger models. For instance, Phi-mini-MoE achieves similar or better performance to Phi-3-mini using only 2/3 of the activated parameters and yields comparable MMLU scores to Llama 3.1 8B despite having significantly lower latency. Our findings demonstrate that structured pruning combined with staged distillation offers an effective path to creating high-quality, compact MoE models, paving the way for broader adoption of MoE architectures. We make our models publicly available at https://huggingface.co/microsoft/Phi-mini-MoE-instruct and https://huggingface.co/microsoft/Phi-tiny-MoE-instruct .

  • 7 authors
·
Jun 23, 2025 2

Intrinsic Selection and Particle Resampling for Inference-Time Scaling Beyond Domain Verifiability

Inference-Time Scaling (ITS) has largely succeeded in verifiable domains like math and coding, where cheap verification enables scalable output selection. However, extending ITS to tasks prone to systematic failure - driven by faulty initial assumptions or unmet multidimensional constraints - typically relies on costly external solvers or brittle, model-based verifiers. Our key insight is that the intrinsic statistics of parallel sample sets, specifically length-adjusted tail entropy, provide a robust discriminative signal for solution quality without access to ground truth. Crucially, these statistics serve as a difficulty gate for adaptive compute allocation, dynamically routing problems across scaling regimes. First, Intrinsic Selection (iS) ranks candidates post-hoc, matching consensus-based algorithms across three domains and improving engineering design selection by 20% over pass@1 baselines. Second, Intrinsic Particle Filtering (iPF) generalizes this to step-level resampling, guiding generation toward high-confidence reasoning trajectories to improve pass@1 by 6.1 points on average on hard math problems. Finally, Particle Distillation (dPF) injects privileged guidance via early logit blending and KL-guided resampling, steering generation past systematic reasoning errors to satisfy expert rubrics, yielding up to 26.5% gains on complex clinical responses. Our pipeline applies seamlessly across broad-purpose, domain-specialized, and multimodal architectures, successfully extending ITS to open-ended domains without requiring trained reward models or exact ground-truth verification.

  • 8 authors
·
Jun 6

Verified Uncertainty Calibration

Applications such as weather forecasting and personalized medicine demand models that output calibrated probability estimates---those representative of the true likelihood of a prediction. Most models are not calibrated out of the box but are recalibrated by post-processing model outputs. We find in this work that popular recalibration methods like Platt scaling and temperature scaling are (i) less calibrated than reported, and (ii) current techniques cannot estimate how miscalibrated they are. An alternative method, histogram binning, has measurable calibration error but is sample inefficient---it requires O(B/ε^2) samples, compared to O(1/ε^2) for scaling methods, where B is the number of distinct probabilities the model can output. To get the best of both worlds, we introduce the scaling-binning calibrator, which first fits a parametric function to reduce variance and then bins the function values to actually ensure calibration. This requires only O(1/ε^2 + B) samples. Next, we show that we can estimate a model's calibration error more accurately using an estimator from the meteorological community---or equivalently measure its calibration error with fewer samples (O(B) instead of O(B)). We validate our approach with multiclass calibration experiments on CIFAR-10 and ImageNet, where we obtain a 35% lower calibration error than histogram binning and, unlike scaling methods, guarantees on true calibration. In these experiments, we also estimate the calibration error and ECE more accurately than the commonly used plugin estimators. We implement all these methods in a Python library: https://pypi.org/project/uncertainty-calibration

  • 3 authors
·
Sep 23, 2019

AdaptSplat: Adapting Vision Foundation Models for Feed-Forward 3D Gaussian Splatting

This work explores a simple yet powerful lightweight adapter design for feed-forward 3D Gaussian Splatting (3DGS). Existing methods typically apply complex, architecture-specific designs on top of the generic pipeline of image feature extraction rightarrow multi-view interaction rightarrow feature decoding. However, constrained by the scale bottleneck of 3D training data and the low-pass filtering effect of deep networks, these methods still fall short in cross-domain generalization and high-frequency geometric fidelity. To address these problems, we propose AdaptSplat, which demonstrates that without complex component engineering, introducing a single adapter of only 1.5M parameters into the generic architecture is sufficient to achieve superior performance. Specifically, we design a lightweight Frequency-Preserving Adapter (FPA) that extracts direction-aware high-frequency structural priors from the shallow features of a powerful vision foundation model backbone, and seamlessly integrates them into the generic pipeline via high-frequency positional encodings and adaptive residual modulation. This effectively compensates for the high-frequency attenuation caused by over-smoothing in deep features, improving the fitting accuracy of Gaussian primitives on complex surfaces and sharp boundaries. Extensive experiments demonstrate that AdaptSplat achieves state-of-the-art feed-forward reconstruction performance on multiple standard benchmarks, with stable generalization across domains. Code available at: https://github.com/xmw666/AdaptSplat.

  • 3 authors
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May 17

SegTME-UNI2: A Foundation Model-Based Framework for Generalisable Multiclass Cell Segmentation and LLM-Driven Tumour Microenvironment Characterisation in Histopathology

Characterising the tumour microenvironment (TME) from routine H&E-stained histology images requires simultaneous cell segmentation, feature extraction, and interpretable clinical reporting. We present SEGTME-UNI2, a unified framework addressing these requirements. Its core is UNI2-UPERHOVER, a dual-head segmentation model pairing the UNI2-H pathology foundation model (ViT-Giant, pretrained on >100M tiles from 100K slides) with two parallel UperNet decoders: one for six-class semantic segmentation and one for horizontal-vertical gradient regression enabling watershed-based nuclear instance separation. To address the lack of pixel-level annotations in large real-world repositories, UNI2-UPERHOVER undergoes a three-stage progressive pseudo-label curriculum. Each stage trains a fresh model without weight transfer, driving improvement entirely via increased pseudo-label quality: Stage 1: Uses human-annotated PanNuke (7,901 images, 189,744 nuclei, 0.25 um/pixel). Stage 2: Uses entropy-filtered pseudo-labels from the Stage 1 model on 271,711 TCGA-UT scale-0 patches (0.5 um/pixel). Stage 3: Uses pseudo-labels from the Stage 2 model on all 1,608,060 TCGA-UT patches across six resolution scales (0.5-1.0 um/pixel). Segmentation outputs feed a structured TME feature extraction pipeline computing 20+ per-patch compositional, morphological, spatial entropy, and intercellular distance metrics. These are encoded as JSON and passed to a fine-tuned NVIDIA BioNeMo GPT model to generate clinically interpretable TME narratives. Preliminary validation on held-out PanNuke and TCGA-UT partitions demonstrates framework feasibility and internal consistency. The pseudo-labelled TCGA-UT dataset and UNI2-UPERHOVER checkpoint are publicly released to support large-scale TME profiling and spatial biology research.

  • 6 authors
·
Jun 15

Likelihood Adjusted Semidefinite Programs for Clustering Heterogeneous Data

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

  • 3 authors
·
Sep 29, 2022