Sanketh Vedula

Aviv A. Rosenberg, Sanketh Vedula, Yaniv Romano et al.

Quantile regression (QR) is a powerful tool for estimating one or more conditional quantiles of a target variable $\mathrm{Y}$ given explanatory features $\boldsymbol{\mathrm{X}}$. A limitation of QR is that it is only defined for scalar target variables, due to the formulation of its objective function, and since the notion of quantiles has no standard definition for multivariate distributions. Recently, vector quantile regression (VQR) was proposed as an extension of QR for vector-valued target variables, thanks to a meaningful generalization of the notion of quantiles to multivariate distributions via optimal transport. Despite its elegance, VQR is arguably not applicable in practice due to several limitations: (i) it assumes a linear model for the quantiles of the target $\boldsymbol{\mathrm{Y}}$ given the features $\boldsymbol{\mathrm{X}}$; (ii) its exact formulation is intractable even for modestly-sized problems in terms of target dimensions, number of regressed quantile levels, or number of features, and its relaxed dual formulation may violate the monotonicity of the estimated quantiles; (iii) no fast or scalable solvers for VQR currently exist. In this work we fully address these limitations, namely: (i) We extend VQR to the non-linear case, showing substantial improvement over linear VQR; (ii) We propose {vector monotone rearrangement}, a method which ensures the quantile functions estimated by VQR are monotone functions; (iii) We provide fast, GPU-accelerated solvers for linear and nonlinear VQR which maintain a fixed memory footprint, and demonstrate that they scale to millions of samples and thousands of quantile levels; (iv) We release an optimized python package of our solvers as to widespread the use of VQR in real-world applications.

Marco Pegoraro, Sanketh Vedula, Aviv A. Rosenberg et al.

Quantile regression (QR) is a statistical tool for distribution-free estimation of conditional quantiles of a target variable given explanatory features. QR is limited by the assumption that the target distribution is univariate and defined on an Euclidean domain. Although the notion of quantiles was recently extended to multi-variate distributions, QR for multi-variate distributions on manifolds remains underexplored, even though many important applications inherently involve data distributed on, e.g., spheres (climate and geological phenomena), and tori (dihedral angles in proteins). By leveraging optimal transport theory and c-concave functions, we meaningfully define conditional vector quantile functions of high-dimensional variables on manifolds (M-CVQFs). Our approach allows for quantile estimation, regression, and computation of conditional confidence sets and likelihoods. We demonstrate the approach's efficacy and provide insights regarding the meaning of non-Euclidean quantiles through synthetic and real data experiments.

Tomer Weiss, Sanketh Vedula, Ortal Senouf et al.

Fiber tractography is an important tool of computational neuroscience that enables reconstructing the spatial connectivity and organization of white matter of the brain. Fiber tractography takes advantage of diffusion Magnetic Resonance Imaging (dMRI) which allows measuring the apparent diffusivity of cerebral water along different spatial directions. Unfortunately, collecting such data comes at the price of reduced spatial resolution and substantially elevated acquisition times, which limits the clinical applicability of dMRI. This problem has been thus far addressed using two principal strategies. Most of the efforts have been extended towards improving the quality of signal estimation for any, yet fixed sampling scheme (defined through the choice of diffusion-encoding gradients). On the other hand, optimization over the sampling scheme has also proven to be effective. Inspired by the previous results, the present work consolidates the above strategies into a unified estimation framework, in which the optimization is carried out with respect to both estimation model and sampling design {\it concurrently}. The proposed solution offers substantial improvements in the quality of signal estimation as well as the accuracy of ensuing analysis by means of fiber tractography. While proving the optimality of the learned estimation models would probably need more extensive evaluation, we nevertheless claim that the learned sampling schemes can be of immediate use, offering a way to improve the dMRI analysis without the necessity of deploying the neural network used for their estimation. We present a comprehensive comparative analysis based on the Human Connectome Project data. Code and learned sampling designs aviliable at https://github.com/tomer196/Learned_dMRI.

Sai Advaith Maddipatla, Nadav Bojan Sellam, Sanketh Vedula et al.

Proteins are dynamic, adopting ensembles of conformations. The nature of this conformational heterogenity is imprinted in the raw electron density measurements obtained from X-ray crystallography experiments. Fitting an ensemble of protein structures to these measurements is a challenging, ill-posed inverse problem. We propose a non-i.i.d. ensemble guidance approach to solve this problem using existing protein structure generative models and demonstrate that it accurately recovers complicated multi-modal alternate protein backbone conformations observed in certain single crystal measurements.

Meital Bojan, Sanketh Vedula, Advaith Maddipatla et al.

The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environment is essential for modeling and designing proteins and biomolecular interactions. However, these environments' extensive structural and chemical variability makes them challenging to model, and such representations remain under-explored. In this work, we propose a novel representation for a local protein environment derived from the intermediate features of atomistic foundation models (AFMs). We demonstrate that this embedding effectively captures both local structure (e.g., secondary motifs), and chemical features (e.g., amino-acid identity and protonation state). We further show that the AFM-derived representation space exhibits meaningful structure, enabling the construction of data-driven priors over the distribution of biomolecular environments. Finally, in the context of biomolecular NMR spectroscopy, we demonstrate that the proposed representations enable a first-of-its-kind physics-informed chemical shift predictor that achieves state-of-the-art accuracy. Our results demonstrate the surprising effectiveness of atomistic foundation models and their emergent representations for protein modeling beyond traditional molecular simulations. We believe this will open new lines of work in constructing effective functional representations for protein environments.

Barak Gahtan, Sanketh Vedula, Gil Samuelly Leichtag et al.

Understanding physiological responses during running is critical for performance optimization, tailored training prescriptions, and athlete health management. We introduce a comprehensive framework -- what we believe to be the first capable of predicting instantaneous oxygen consumption (VO$_{2}$) trajectories exclusively from consumer-grade wearable data. Our approach employs two complementary physiological models: (1) accurate modeling of heart rate (HR) dynamics via a physiologically constrained ordinary differential equation (ODE) and neural Kalman filter, trained on over 3 million HR observations, achieving 1-second interval predictions with mean absolute errors as low as 2.81\,bpm (correlation 0.87); and (2) leveraging the principles of precise HR modeling, a novel VO$_{2}$ prediction architecture requiring only the initial second of VO$_{2}$ data for calibration, enabling robust, sequence-to-sequence metabolic demand estimation. Despite relying solely on smartwatch and chest-strap data, our method achieves mean absolute percentage errors of approximately 13\%, effectively capturing rapid physiological transitions and steady-state conditions across diverse running intensities. Our synchronized dataset, complemented by blood lactate measurements, further lays the foundation for future noninvasive metabolic zone identification. By embedding physiological constraints within modern machine learning, this framework democratizes advanced metabolic monitoring, bridging laboratory-grade accuracy and everyday accessibility, thus empowering both elite athletes and recreational fitness enthusiasts.

Sanketh Vedula, Valentino Maiorca, Lorenzo Basile et al.

Aligning data from different domains is a fundamental problem in machine learning with broad applications across very different areas, most notably aligning experimental readouts in single-cell multiomics. Mathematically, this problem can be formulated as the minimization of disagreement of pair-wise quantities such as distances and is related to the Gromov-Hausdorff and Gromov-Wasserstein distances. Computationally, it is a quadratic assignment problem (QAP) that is known to be NP-hard. Prior works attempted to solve the QAP directly with entropic or low-rank regularization on the permutation, which is computationally tractable only for modestly-sized inputs, and encode only limited inductive bias related to the domains being aligned. We consider the alignment of metric structures formulated as a discrete Gromov-Wasserstein problem and instead of solving the QAP directly, we propose to learn a related well-scalable linear assignment problem (LAP) whose solution is also a minimizer of the QAP. We also show a flexible extension of the proposed framework to general non-metric dissimilarities through differentiable ranks. We extensively evaluate our approach on synthetic and real datasets from single-cell multiomics and neural latent spaces, achieving state-of-the-art performance while being conceptually and computationally simple.

Tomer Weiss, Nissim Peretz, Sanketh Vedula et al.

Multiple-input multiple-output (MIMO) radar is one of the leading depth sensing modalities. However, the usage of multiple receive channels lead to relative high costs and prevent the penetration of MIMOs in many areas such as the automotive industry. Over the last years, few studies concentrated on designing reduced measurement schemes and image reconstruction schemes for MIMO radars, however these problems have been so far addressed separately. On the other hand, recent works in optical computational imaging have demonstrated growing success of simultaneous learning-based design of the acquisition and reconstruction schemes, manifesting significant improvement in the reconstruction quality. Inspired by these successes, in this work, we propose to learn MIMO acquisition parameters in the form of receive (Rx) antenna elements locations jointly with an image neural-network based reconstruction. To this end, we propose an algorithm for training the combined acquisition-reconstruction pipeline end-to-end in a differentiable way. We demonstrate the significance of using our learned acquisition parameters with and without the neural-network reconstruction.

Jonathan Alush-Aben, Linor Ackerman-Schraier, Tomer Weiss et al.

Magnetic Resonance Imaging (MRI) has long been considered to be among the gold standards of today's diagnostic imaging. The most significant drawback of MRI is long acquisition times, prohibiting its use in standard practice for some applications. Compressed sensing (CS) proposes to subsample the k-space (the Fourier domain dual to the physical space of spatial coordinates) leading to significantly accelerated acquisition. However, the benefit of compressed sensing has not been fully exploited; most of the sampling densities obtained through CS do not produce a trajectory that obeys the stringent constraints of the MRI machine imposed in practice. Inspired by recent success of deep learning based approaches for image reconstruction and ideas from computational imaging on learning-based design of imaging systems, we introduce 3D FLAT, a novel protocol for data-driven design of 3D non-Cartesian accelerated trajectories in MRI. Our proposal leverages the entire 3D k-space to simultaneously learn a physically feasible acquisition trajectory with a reconstruction method. Experimental results, performed as a proof-of-concept, suggest that 3D FLAT achieves higher image quality for a given readout time compared to standard trajectories such as radial, stack-of-stars, or 2D learned trajectories (trajectories that evolve only in the 2D plane while fully sampling along the third dimension). Furthermore, we demonstrate evidence supporting the significant benefit of performing MRI acquisitions using non-Cartesian 3D trajectories over 2D non-Cartesian trajectories acquired slice-wise.

Amit Boyarski, Sanketh Vedula, Alex Bronstein

Deep Matrix Factorization (DMF) is an emerging approach to the problem of matrix completion. Recent works have established that gradient descent applied to a DMF model induces an implicit regularization on the rank of the recovered matrix. In this work we interpret the DMF model through the lens of spectral geometry. This allows us to incorporate explicit regularization without breaking the DMF structure, thus enjoying the best of both worlds. In particular, we focus on matrix completion problems with underlying geometric or topological relations between the rows and/or columns. Such relations are prevalent in matrix completion problems that arise in many applications, such as recommender systems and drug-target interaction. Our contributions enable DMF models to exploit these relations, and make them competitive on real benchmarks, while exhibiting one of the first successful applications of deep linear networks.

Tomer Weiss, Ortal Senouf, Sanketh Vedula et al.

Magnetic Resonance Imaging (MRI) has long been considered to be among "the gold standards" of diagnostic medical imaging. The long acquisition times, however, render MRI prone to motion artifacts, let alone their adverse contribution to the relative high costs of MRI examination. Over the last few decades, multiple studies have focused on the development of both physical and post-processing methods for accelerated acquisition of MRI scans. These two approaches, however, have so far been addressed separately. On the other hand, recent works in optical computational imaging have demonstrated growing success of concurrent learning-based design of data acquisition and image reconstruction schemes. Such schemes have already demonstrated substantial effectiveness, leading to considerably shorter acquisition times and improved quality of image reconstruction. Inspired by this initial success, in this work, we propose a novel approach to the learning of optimal schemes for conjoint acquisition and reconstruction of MRI scans, with the optimization carried out simultaneously with respect to the time-efficiency of data acquisition and the quality of resulting reconstructions. To be of a practical value, the schemes are encoded in the form of general k-space trajectories, whose associated magnetic gradients are constrained to obey a set of predefined hardware requirements (as defined in terms of, e.g., peak currents and maximum slew rates of magnetic gradients). With this proviso in mind, we propose a novel algorithm for the end-to-end training of a combined acquisition-reconstruction pipeline using a deep neural network with differentiable forward- and back-propagation operators. We demonstrate its effectiveness on image reconstruction and image segmentation tasks, reporting substantial improvements in terms of acceleration factors as well as the quality of these tasks.

Ortal Senouf, Sanketh Vedula, Tomer Weiss et al.

In the past few years, deep learning-based methods have demonstrated enormous success for solving inverse problems in medical imaging. In this work, we address the following question:\textit{Given a set of measurements obtained from real imaging experiments, what is the best way to use a learnable model and the physics of the modality to solve the inverse problem and reconstruct the latent image?} Standard supervised learning based methods approach this problem by collecting data sets of known latent images and their corresponding measurements. However, these methods are often impractical due to the lack of availability of appropriately sized training sets, and, more generally, due to the inherent difficulty in measuring the "groundtruth" latent image. In light of this, we propose a self-supervised approach to training inverse models in medical imaging in the absence of aligned data. Our method only requiring access to the measurements and the forward model at training. We showcase its effectiveness on inverse problems arising in accelerated magnetic resonance imaging (MRI).

Tomer Weiss, Sanketh Vedula, Ortal Senouf et al.

Magnetic Resonance Imaging (MRI) is considered today the golden-standard modality for soft tissues. The long acquisition times, however, make it more prone to motion artifacts as well as contribute to the relatively high costs of this examination. Over the years, multiple studies concentrated on designing reduced measurement schemes and image reconstruction schemes for MRI, however, these problems have been so far addressed separately. On the other hand, recent works in optical computational imaging have demonstrated growing success of the simultaneous learning-based design of the acquisition and reconstruction schemes manifesting significant improvement in the reconstruction quality with a constrained time budget. Inspired by these successes, in this work, we propose to learn accelerated MR acquisition schemes (in the form of Cartesian trajectories) jointly with the image reconstruction operator. To this end, we propose an algorithm for training the combined acquisition-reconstruction pipeline end-to-end in a differentiable way. We demonstrate the significance of using the learned Cartesian trajectories at different speed up rates.

Sanketh Vedula, Ortal Senouf, Grigoriy Zurakhov et al.

Medical ultrasound (US) is a widespread imaging modality owing its popularity to cost efficiency, portability, speed, and lack of harmful ionizing radiation. In this paper, we demonstrate that replacing the traditional ultrasound processing pipeline with a data-driven, learnable counterpart leads to significant improvement in image quality. Moreover, we demonstrate that greater improvement can be achieved through a learning-based design of the transmitted beam patterns simultaneously with learning an image reconstruction pipeline. We evaluate our method on an in-vivo first-harmonic cardiac ultrasound dataset acquired from volunteers and demonstrate the significance of the learned pipeline and transmit beam patterns on the image quality when compared to standard transmit and receive beamformers used in high frame-rate US imaging. We believe that the presented methodology provides a fundamentally different perspective on the classical problem of ultrasound beam pattern design.

Ortal Senouf, Sanketh Vedula, Grigoriy Zurakhov et al.

Cardiac ultrasound imaging requires a high frame rate in order to capture rapid motion. This can be achieved by multi-line acquisition (MLA), where several narrow-focused received lines are obtained from each wide-focused transmitted line. This shortens the acquisition time at the expense of introducing block artifacts. In this paper, we propose a data-driven learning-based approach to improve the MLA image quality. We train an end-to-end convolutional neural network on pairs of real ultrasound cardiac data, acquired through MLA and the corresponding single-line acquisition (SLA). The network achieves a significant improvement in image quality for both $5-$ and $7-$line MLA resulting in a decorrelation measure similar to that of SLA while having the frame rate of MLA.

Sanketh Vedula, Ortal Senouf, Grigoriy Zurakhov et al.

Frame rate is a crucial consideration in cardiac ultrasound imaging and 3D sonography. Several methods have been proposed in the medical ultrasound literature aiming at accelerating the image acquisition. In this paper, we consider one such method called \textit{multi-line transmission} (MLT), in which several evenly separated focused beams are transmitted simultaneously. While MLT reduces the acquisition time, it comes at the expense of a heavy loss of contrast due to the interactions between the beams (cross-talk artifact). In this paper, we introduce a data-driven method to reduce the artifacts arising in MLT. To this end, we propose to train an end-to-end convolutional neural network consisting of correction layers followed by a constant apodization layer. The network is trained on pairs of raw data obtained through MLT and the corresponding \textit{single-line transmission} (SLT) data. Experimental evaluation demonstrates significant improvement both in the visual image quality and in objective measures such as contrast ratio and contrast-to-noise ratio, while preserving resolution unlike traditional apodization-based methods. We show that the proposed method is able to generalize well across different patients and anatomies on real and phantom data.

Sanketh Vedula, Ortal Senouf, Alex M. Bronstein et al.

The cost-effectiveness and practical harmlessness of ultrasound imaging have made it one of the most widespread tools for medical diagnosis. Unfortunately, the beam-forming based image formation produces granular speckle noise, blurring, shading and other artifacts. To overcome these effects, the ultimate goal would be to reconstruct the tissue acoustic properties by solving a full wave propagation inverse problem. In this work, we make a step towards this goal, using Multi-Resolution Convolutional Neural Networks (CNN). As a result, we are able to reconstruct CT-quality images from the reflected ultrasound radio-frequency(RF) data obtained by simulation from real CT scans of a human body. We also show that CNN is able to imitate existing computationally heavy despeckling methods, thereby saving orders of magnitude in computations and making them amenable to real-time applications.