We propose WS-DINO as a novel framework to use weak label information in learning phenotypic representations from high-content fluorescent images of cells. Our model is based on a knowledge distillation approach with a vision transformer backbone (DINO), and we use this as a benchmark model for our study. Using WS-DINO, we fine-tuned with weak label information available in high-content microscopy screens (treatment and compound), and achieve state-of-the-art performance in not-same-compound mechanism of action prediction on the BBBC021 dataset (98%), and not-same-compound-and-batch performance (96%) using the compound as the weak label. Our method bypasses single cell cropping as a pre-processing step, and using self-attention maps we show that the model learns structurally meaningful phenotypic profiles.
We consider the problem of recovering the three-dimensional atomic structure of a flexible macromolecule from a heterogeneous cryo-EM dataset. The dataset contains noisy tomographic projections of the electrostatic potential of the macromolecule, taken from different viewing directions, and in the heterogeneous case, each image corresponds to a different conformation of the macromolecule. Under the assumption that the macromolecule can be modelled as a chain, or discrete curve (as it is for instance the case for a protein backbone with a single chain of amino-acids), we introduce a method to estimate the deformation of the atomic model with respect to a given conformation, which is assumed to be known a priori. Our method consists on estimating the torsion and bond angles of the atomic model in each conformation as a linear combination of the eigenfunctions of the Laplace operator in the manifold of conformations. These eigenfunctions can be approximated by means of a well-known technique in manifold learning, based on the construction of a graph Laplacian using the cryo-EM dataset. Finally, we test our approach with synthetic datasets, for which we recover the atomic model of two-dimensional and three-dimensional flexible structures from noisy tomographic projections.
From early image processing to modern computational imaging, successful models and algorithms have relied on a fundamental property of natural signals: symmetry. Here symmetry refers to the invariance property of signal sets to transformations such as translation, rotation or scaling. Symmetry can also be incorporated into deep neural networks in the form of equivariance, allowing for more data-efficient learning. While there has been important advances in the design of end-to-end equivariant networks for image classification in recent years, computational imaging introduces unique challenges for equivariant network solutions since we typically only observe the image through some noisy ill-conditioned forward operator that itself may not be equivariant. We review the emerging field of equivariant imaging and show how it can provide improved generalization and new imaging opportunities. Along the way we show the interplay between the acquisition physics and group actions and links to iterative reconstruction, blind compressed sensing and self-supervised learning.
In this work we propose a new paradigm for designing efficient deep unrolling networks using dimensionality reduction schemes, including minibatch gradient approximation and operator sketching. The deep unrolling networks are currently the state-of-the-art solutions for imaging inverse problems. However, for high-dimensional imaging tasks, especially X-ray CT and MRI imaging, the deep unrolling schemes typically become inefficient both in terms of memory and computation, due to the need of computing multiple times the high-dimensional forward and adjoint operators. Recently researchers have found that such limitations can be partially addressed by unrolling the stochastic gradient descent (SGD), inspired by the success of stochastic first-order optimization. In this work, we explore further this direction and propose first a more expressive and practical stochastic primal-dual unrolling, based on the state-of-the-art Learned Primal-Dual (LPD) network, and also a further acceleration upon stochastic primal-dual unrolling, using sketching techniques to approximate products in the high-dimensional image space. The operator sketching can be jointly applied with stochastic unrolling for the best acceleration and compression performance. Our numerical experiments on X-ray CT image reconstruction demonstrate the remarkable effectiveness of our accelerated unrolling schemes.
Practical image segmentation tasks concern images which must be reconstructed from noisy, distorted, and/or incomplete observations. A recent approach for solving such tasks is to perform this reconstruction jointly with the segmentation, using each to guide the other. However, this work has so far employed relatively simple segmentation methods, such as the Chan--Vese algorithm. In this paper, we present a method for joint reconstruction-segmentation using graph-based segmentation methods, which have been seeing increasing recent interest. Complications arise due to the large size of the matrices involved, and we show how these complications can be managed. We then analyse the convergence properties of our scheme. Finally, we apply this scheme to distorted versions of ``two cows'' images familiar from previous graph-based segmentation literature, first to a highly noised version and second to a blurred version, achieving highly accurate segmentations in both cases. We compare these results to those obtained by sequential reconstruction-segmentation approaches, finding that our method competes with, or even outperforms, those approaches in terms of reconstruction and segmentation accuracy.
In this work we propose a stochastic primal-dual preconditioned three-operator splitting algorithm for solving a class of convex three-composite optimization problems. Our proposed scheme is a direct three-operator splitting extension of the SPDHG algorithm [Chambolle et al. 2018]. We provide theoretical convergence analysis showing ergodic O(1/K) convergence rate, and demonstrate the effectiveness of our approach in imaging inverse problems.
Diffusion models have emerged as one of the most promising frameworks for deep generative modeling. In this work, we explore the potential of non-uniform diffusion models. We show that non-uniform diffusion leads to multi-scale diffusion models which have similar structure to this of multi-scale normalizing flows. We experimentally find that in the same or less training time, the multi-scale diffusion model achieves better FID score than the standard uniform diffusion model. More importantly, it generates samples $4.4$ times faster in $128\times 128$ resolution. The speed-up is expected to be higher in higher resolutions where more scales are used. Moreover, we show that non-uniform diffusion leads to a novel estimator for the conditional score function which achieves on par performance with the state-of-the-art conditional denoising estimator. Our theoretical and experimental findings are accompanied by an open source library MSDiff which can facilitate further research of non-uniform diffusion models.
Classifying samples in incomplete datasets is a common aim for machine learning practitioners, but is non-trivial. Missing data is found in most real-world datasets and these missing values are typically imputed using established methods, followed by classification of the now complete, imputed, samples. The focus of the machine learning researcher is then to optimise the downstream classification performance. In this study, we highlight that it is imperative to consider the quality of the imputation. We demonstrate how the commonly used measures for assessing quality are flawed and propose a new class of discrepancy scores which focus on how well the method recreates the overall distribution of the data. To conclude, we highlight the compromised interpretability of classifier models trained using poorly imputed data.
In recent years, deep learning has achieved remarkable empirical success for image reconstruction. This has catalyzed an ongoing quest for precise characterization of correctness and reliability of data-driven methods in critical use-cases, for instance in medical imaging. Notwithstanding the excellent performance and efficacy of deep learning-based methods, concerns have been raised regarding their stability, or lack thereof, with serious practical implications. Significant advances have been made in recent years to unravel the inner workings of data-driven image recovery methods, challenging their widely perceived black-box nature. In this article, we will specify relevant notions of convergence for data-driven image reconstruction, which will form the basis of a survey of learned methods with mathematically rigorous reconstruction guarantees. An example that is highlighted is the role of ICNN, offering the possibility to combine the power of deep learning with classical convex regularization theory for devising methods that are provably convergent. This survey article is aimed at both methodological researchers seeking to advance the frontiers of our understanding of data-driven image reconstruction methods as well as practitioners, by providing an accessible description of convergence concepts and by placing some of the existing empirical practices on a solid mathematical foundation.
The total variation (TV) flow generates a scale-space representation of an image based on the TV functional. This gradient flow observes desirable features for images such as sharp edges and enables spectral, scale, and texture analysis. The standard numerical approach for TV flow requires solving multiple non-smooth optimisation problems. Even with state-of-the-art convex optimisation techniques, this is often prohibitively expensive and strongly motivates the use of alternative, faster approaches. Inspired by and extending the framework of physics-informed neural networks (PINNs), we propose the TVflowNET, a neural network approach to compute the solution of the TV flow given an initial image and a time instance. We significantly speed up the computation time by more than one order of magnitude and show that the TVflowNET approximates the TV flow solution with high fidelity. This is a preliminary report, more details are to follow.