Fred (Farbod) Roosta

dblp:133/8630 · also Farbod Roosta-Khorasani, Fred Roosta · DBLP profile ↗
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29ranked-venue papers
0as first author
16since 2021 · last 2025
0000-0002-6920-7072ORCID · verified

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 23 · 14 since 2021Databases, data management, data science and information retrieval · 3Graphics, computer vision, multimedia, augmented reality and games · 3 · 2 since 2021Systems, architecture and hardware · 1Applied, interdisciplinary, general and emerging computing · 1 · 1 since 2021
YearPublicationVenuePosition
2025 Determinant Estimation under Memory Constraints and Neural Scaling Laws
abstract
Calculating or accurately estimating log-determinants of large positive definite matrices is of fundamental importance in many machine learning tasks. While its cubic computational complexity can already be prohibitive, in modern applications, even storing the matrices themselves can pose a memory bottleneck. To address this, we derive a novel hierarchical algorithm based on block-wise computation of the LDL decomposition for large-scale log-determinant calculation in memory-constrained settings. In extreme cases where matrices are highly ill-conditioned, accurately computing the full matrix itself may be infeasible. This is particularly relevant when considering kernel matrices at scale, including the empirical Neural Tangent Kernel (NTK) of neural networks trained on large datasets. Under the assumption of neural scaling laws in the test error, we show that the ratio of pseudo-determinants satisfies a power-law relationship, allowing us to derive corresponding scaling laws. This enables accurate estimation of NTK log-determinants from a tiny fraction of the full dataset; in our experiments, this results in a $\sim$100,000$\times$ speedup with improved accuracy over competing approximations. Using these techniques, we successfully estimate log-determinants for dense matrices of extreme sizes, which were previously deemed intractable and inaccessible due to their enormous scale and computational demands.
Siavash Ameli, Christopher van der Heide, Liam Hodgkinson, Fred (Farbod) Roosta, Michael W. Mahoney
ICML4
2025 Importance Sampling for Nonlinear Models
abstract
While norm-based and leverage-score-based methods have been extensively studied for identifying "important" data points in linear models, analogous tools for nonlinear models remain significantly underdeveloped. By introducing the concept of the adjoint operator of a nonlinear map, we address this gap and generalize norm-based and leverage-score-based importance sampling to nonlinear settings. We demonstrate that sampling based on these generalized notions of norm and leverage scores provides approximation guarantees for the underlying nonlinear mapping, similar to linear subspace embeddings. As direct applications, these nonlinear scores not only reduce the computational complexity of training nonlinear models by enabling efficient sampling over large datasets but also offer a novel mechanism for model explainability and outlier detection. Our contributions are supported by both theoretical analyses and experimental results across a variety of supervised learning scenarios.
Prakash Palanivelu Rajmohan, Fred (Farbod) Roosta
ICML2
2025 Latent Refinement via Flow Matching for Training-free Linear Inverse Problem Solving
abstract
Recent advances in *inverse problem* solving have increasingly adopted flow *priors* over diffusion models due to their ability to construct straight probability paths from noise to data, thereby enhancing efficiency in both training and inference. However, current flow-based inverse solvers face two primary limitations: (i) they operate directly in pixel space, which demands heavy computational resources for training and restricts scalability to high-resolution images, and (ii) they employ guidance strategies with *prior*-agnostic posterior covariances, which can weaken alignment with the generative trajectory and degrade posterior coverage. In this paper, we propose **LFlow** (**L**atent Refinement via **Flow**s), a *training-free* framework for solving linear inverse problems via pretrained latent flow priors. LFlow leverages the efficiency of flow matching to perform ODE sampling in latent space along an optimal path. This latent formulation further allows us to introduce a theoretically grounded posterior covariance, derived from the optimal vector field, enabling effective flow guidance. Experimental results demonstrate that our proposed method outperforms state-of-the-art latent diffusion solvers in reconstruction quality across most tasks.
Hossein Askari, Yadan Luo, Hongfu Sun, Fred (Farbod) Roosta
NeurIPS4
2025 Uncertainty Quantification with the Empirical Neural Tangent Kernel
abstract
While neural networks have demonstrated impressive performance across various tasks, accurately quantifying uncertainty in their predictions is essential to ensure their trustworthiness and enable widespread adoption in critical systems. Several Bayesian uncertainty quantification (UQ) methods exist that are either cheap or reliable, but not both. We propose a post-hoc, sampling-based UQ method for overparameterized networks at the end of training. Our approach constructs efficient and meaningful deep ensembles by employing a (stochastic) gradient-descent sampling process on appropriately linearized networks. We demonstrate that our method effectively approximates the posterior of a Gaussian Process using the empirical Neural Tangent Kernel. Through a series of numerical experiments, we show that our method not only outperforms competing approaches in computational efficiency--often reducing costs by multiple factors--but also maintains state-of-the-art performance across a variety of UQ metrics for both regression and classification tasks.
Joseph Wilson, Christopher van der Heide, Liam Hodgkinson, Fred (Farbod) Roosta
NeurIPS4
2025 Training-free Medical Image Inverses via Bi-level Guided Diffusion Models
abstract
In medical imaging, inverse problems aim to infer highfidelity images from incomplete, noisy measurements, minimizing expenses and risks to patients in clinical settings. Diffusion models have recently emerged as a promising solution to such practical challenges, proving particularly useful for the training-free inference of images from partially acquired measurements in Magnetic Resonance Imaging (MRI) and Computed Tomography (CT). A central challenge, however, is how to guide an unconditional denoised estimate to conform to the measurement information. Existing methods often employ either deficient projection or inefficient posterior approximation, leading to suboptimal performance. In this paper, we propose Bi-level Guided Diffusion Models (BGDM), a zero-shot imaging framework that efficiently steers the image generation process through a bi-level guidance strategy. Specifically, BGDM first approximates an inner-level conditional posterior mean to establish an initial measurement-consistent prediction and then solves an outer-level proximal optimization objective to reinforce the measurement consistency. Our experimental findings, leveraging publicly available MRI and CT datasets, indicate that BGDM is more effective and efficient compared to baseline methods, consistently generating high-fidelity medical images and significantly reducing hallucinatory artifacts in cases of sparse measurements. Code https://github.com/hosseinaskari-cs/BGDM.
Hossein Askari, Fred (Farbod) Roosta, Hongfu Sun
WACV2
2024 Inexact Newton-type Methods for Optimisation with Nonnegativity Constraints
abstract
We consider solving large scale nonconvex optimisation problems with nonnegativity constraints. Such problems arise frequently in machine learning, such as nonnegative least-squares, nonnegative matrix factorisation, as well as problems with sparsity-inducing regularisation. In such settings, first-order methods, despite their simplicity, can be prohibitively slow on ill-conditioned problems or become trapped near saddle regions, while most second-order alternatives involve non-trivially challenging subproblems. The two-metric projection framework, initially proposed by Bertsekas (1982), alleviates these issues and achieves the best of both worlds by combining projected gradient steps at the boundary of the feasible region with Newton steps in the interior in such a way that feasibility can be maintained by simple projection onto the nonnegative orthant. We develop extensions of the two-metric projection framework, which by inexactly solving the subproblems as well as employing non-positive curvature directions, are suitable for large scale and nonconvex settings. We obtain state-of-the-art convergence rates for various classes of non-convex problems and demonstrate competitive practical performance on a variety of problems.
Oscar Smee, Fred (Farbod) Roosta
ICML2
2024 Manifold Integrated Gradients: Riemannian Geometry for Feature Attribution
abstract
In this paper, we dive into the reliability concerns of Integrated Gradients (IG), a prevalent feature attribution method for black-box deep learning models. We particularly address two predominant challenges associated with IG: the generation of noisy feature visualizations for vision models and the vulnerability to adversarial attributional attacks. Our approach involves an adaptation of path-based feature attribution, aligning the path of attribution more closely to the intrinsic geometry of the data manifold. Our experiments utilise deep generative models applied to several real-world image datasets. They demonstrate that IG along the geodesics conforms to the curved geometry of the Riemannian data manifold, generating more perceptually intuitive explanations and, subsequently, substantially increasing robustness to targeted attributional attacks.
Eslam Zaher, Maciej Trzaskowski, Fred (Farbod) Roosta
ICML4
2023 Monotonicity and Double Descent in Uncertainty Estimation with Gaussian Processes
abstract
Despite their importance for assessing reliability of predictions, uncertainty quantification (UQ) measures in machine learning models have only recently begun to be rigorously characterized. One prominent issue is the curse of dimensionality: it is commonly believed that the marginal likelihood should be reminiscent of cross-validation metrics and both should deteriorate with larger input dimensions. However, we prove that by tuning hyperparameters to maximize marginal likelihood (the empirical Bayes procedure), performance, as measured by the marginal likelihood, improves monotonically with the input dimension. On the other hand, cross-validation metrics exhibit qualitatively different behavior that is characteristic of double descent. Cold posteriors, which have recently attracted interest due to their improved performance in certain settings, appear to exacerbate these phenomena. We verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.
Liam Hodgkinson, Christopher van der Heide, Fred (Farbod) Roosta, Michael W. Mahoney
ICML3
2022 Crop Type Prediction Utilising a Long Short-Term Memory with a Self-Attention for Winter Crops in Australia
abstract
The precise mapping and monitoring of crop types is essential for forecasting food production during each crop growing cycle. Accurate monitoring and discriminating of crop types will enable industry to make more informed decisions, thus reducing input costs and improving on-farm profitability. Multiple remote sensing and machine learning derived approaches have attempted to solve this challenge. Generally these approaches fail to accurately capture the biological processes (e.g., phenology) of crop growth due to lack of temporal information capture in their dataset. To address this problem, we propose a deep learning architecture in which a long short-term memory (LSTM) is incorporated with a selfattention mechanism. Experimental results demonstrate high accuracy (approaching or exceeding 90% for full season) in discriminating between six crop species for different environments in Australia. Importantly, most species could be identified at >80% precision within approximately two to three months of planting (end June), though to achieve this discrimination for Wheat and Barley required data to 15th October. Nevertheless, this precision is sufficient to inform end-of-season planning for yield and logistics relating to specific crop species.
Anh Ngoc-Lan Huynh, Fred (Farbod) Roosta, Graeme L. Hammer, Scott C. Chapman, Andries B. Potgieter
IGARSS5
2022 LSAR: Efficient Leverage Score Sampling Algorithm for the Analysis of Big Time Series Data
abstract
We apply methods from randomized numerical linear algebra (RandNLA) to develop improved algorithms for the analysis of large-scale time series data. We first develop a new fast algorithm to estimate the leverage scores of an autoregressive (AR) model in big data regimes. We show that the accuracy of approximations lies within $(1+\mathcal{O}({\varepsilon}))$ of the true leverage scores with high probability. These theoretical results are subsequently exploited to develop an efficient algorithm, called LSAR, for fitting an appropriate AR model to big time series data. Our proposed algorithm is guaranteed, with high probability, to find the maximum likelihood estimates of the parameters of the underlying true AR model and has a worst case running time that significantly improves those of the state-of-the-art alternatives in big data regimes. Empirical results on large-scale synthetic as well as real data highly support the theoretical results and reveal the efficacy of this new approach.
Ali Eshragh, Fred (Farbod) Roosta, Asef Nazari, Michael W. Mahoney
J. Mach. Learn. Res.2
2021 Avoiding Kernel Fixed Points: Computing with ELU and GELU Infinite Networks
abstract
Analysing and computing with Gaussian processes arising from infinitely wide neural networks has recently seen a resurgence in popularity. Despite this, many explicit covariance functions of networks with activation functions used in modern networks remain unknown. Furthermore, while the kernels of deep networks can be computed iteratively, theoretical understanding of deep kernels is lacking, particularly with respect to fixed-point dynamics. Firstly, we derive the covariance functions of multi-layer perceptrons (MLPs) with exponential linear units (ELU) and Gaussian error linear units (GELU) and evaluate the performance of the limiting Gaussian processes on some benchmarks. Secondly, and more generally, we analyse the fixed-point dynamics of iterated kernels corresponding to a broad range of activation functions. We find that unlike some previously studied neural network kernels, these new kernels exhibit non-trivial fixed-point dynamics which are mirrored in finite-width neural networks. The fixed point behaviour present in some networks explains a mechanism for implicit regularisation in overparameterised deep models. Our results relate to both the static iid parameter conjugate kernel and the dynamic neural tangent kernel constructions
Russell Tsuchida, Tim Pearce, Christopher van der Heide, Fred (Farbod) Roosta, Marcus Gallagher
AAAI4
2021 Shadow Manifold Hamiltonian Monte Carlo
abstract
Hamiltonian Monte Carlo and its descendants have found success in machine learning and computational statistics due to their ability to draw samples in high dimensions with greater efficiency than classical MCMC. One of these derivatives, Riemannian manifold Hamiltonian Monte Carlo (RMHMC), better adapts the sampler to the geometry of the target density, allowing for improved performances in sampling problems with complex geometric features. Other approaches have boosted acceptance rates by sampling from an integrator-dependent “shadow density” and compensating for the induced bias via importance sampling. We combine the benefits of RMHMC with those attained by sampling from the shadow density, by deriving the shadow Hamiltonian corresponding to the generalized leapfrog integrator used in RMHMC. This leads to a new algorithm, shadow manifold Hamiltonian Monte Carlo, that shows improved performance over RMHMC, and leaves the target density invariant.
Christopher van der Heide, Fred (Farbod) Roosta, Liam Hodgkinson, Dirk P. Kroese
AISTATS2
2021 Non-PSD matrix sketching with applications to regression and optimization
abstract
A variety of dimensionality reduction techniques have been applied for computations involving large matrices. The underlying matrix is randomly compressed into a smaller one, while approximately retaining many of its original properties. As a result, much of the expensive computation can be performed on the small matrix. The sketching of positive semidefinite (PSD) matrices is well understood, but there are many applications where the related matrices are not PSD, including Hessian matrices in non-convex optimization and covariance matrices in regression applications involving complex numbers. In this paper, we present novel dimensionality reduction methods for non-PSD matrices, as well as their "square-roots", which involve matrices with complex entries. We show how these techniques can be used for multiple downstream tasks. In particular, we show how to use the proposed matrix sketching techniques for both convex and non-convex optimization, lp-regression for every 1<=p Cite this Paper BibTeX @InProceedings{pmlr-v161-feng21a, title = {Non-PSD matrix sketching with applications to regression and optimization}, author = {Feng, Zhili and Roosta, Fred and Woodruff, David P.}, booktitle = {Proceedings of the Thirty-Seventh Conference on Uncertainty in Artificial Intelligence}, pages = {1841--1851}, year = {2021}, editor = {de Campos, Cassio and Maathuis, Marloes H.}, volume = {161}, series = {Proceedings of Machine Learning Research}, month = {27--30 Jul}, publisher = {PMLR}, pdf = {https://proceedings.mlr.press/v161/feng21a/feng21a.pdf}, url = {https://proceedings.mlr.press/v161/feng21a.html}, abstract = {A variety of dimensionality reduction techniques have been applied for computations involving large matrices. The underlying matrix is randomly compressed into a smaller one, while approximately retaining many of its original properties. As a result, much of the expensive computation can be performed on the small matrix. The sketching of positive semidefinite (PSD) matrices is well understood, but there are many applications where the related matrices are not PSD, including Hessian matrices in non-convex optimization and covariance matrices in regression applications involving complex numbers. In this paper, we present novel dimensionality reduction methods for non-PSD matrices, as well as their "square-roots", which involve matrices with complex entries. We show how these techniques can be used for multiple downstream tasks. In particular, we show how to use the proposed matrix sketching techniques for both convex and non-convex optimization, lp-regression for every 1<=p Copy to Clipboard Download Endnote %0 Conference Paper %T Non-PSD matrix sketching with applications to regression and optimization %A Zhili Feng %A Fred Roosta %A David P. Woodruff %B Proceedings of the Thirty-Seventh Conference on Uncertainty in Artificial Intelligence %C Proceedings of Machine Learning Research %D 2021 %E Cassio de Campos %E Marloes H. Maathuis %F pmlr-v161-feng21a %I PMLR %P 1841--1851 %U https://proceedings.mlr.press/v161/feng21a.html %V 161 %X A variety of dimensionality reduction techniques have been applied for computations involving large matrices. The underlying matrix is randomly compressed into a smaller one, while approximately retaining many of its original properties. As a result, much of the expensive computation can be performed on the small matrix. The sketching of positive semidefinite (PSD) matrices is well understood, but there are many applications where the related matrices are not PSD, including Hessian matrices in non-convex optimization and covariance matrices in regression applications involving complex numbers. In this paper, we present novel dimensionality reduction methods for non-PSD matrices, as well as their "square-roots", which involve matrices with complex entries. We show how these techniques can be used for multiple downstream tasks. In particular, we show how to use the proposed matrix sketching techniques for both convex and non-convex optimization, lp-regression for every 1<=p Copy to Clipboard Download APA Feng, Z., Roosta, F. & Woodruff, D.P.. (2021). Non-PSD matrix sketching with applications to regression and optimization. Proceedings of the Thirty-Seventh Conference on Uncertainty in Artificial Intelligence, in Proceedings of Machine Learning Research 161:1841-1851 Available from https://proceedings.mlr.press/v161/feng21a.html. Copy to Clipboard Download Related Material Download PDF Supplementary PDF This site last compiled Sun, 05 Jul 2026 14:53:07 +0000 Github Account Copyright © The authors and PMLR 2026. MLResearchPress
Zhili Feng, Fred (Farbod) Roosta, David P. Woodruff
UAI2
2021 Stochastic continuous normalizing flows: training SDEs as ODEs
abstract
We provide a general theoretical framework for stochastic continuous normalizing flows, an extension of continuous normalizing flows for density estimation of stochastic differential equations (SDEs). Using the theory of rough paths, the underlying Brownian motion is treated as a latent variable and approximated. Doing so enables the treatment of SDEs as random ordinary differential equations, which can be trained using existing techniques. For scalar loss functions, this approach naturally recovers the stochastic adjoint method of Li et al. [2020] for training neural SDEs, while supporting a more flexible class of approximations.
Liam Hodgkinson, Christopher van der Heide, Fred (Farbod) Roosta, Michael W. Mahoney
UAI3
2021 Implicit Langevin Algorithms for Sampling From Log-concave Densities
abstract
For sampling from a log-concave density, we study implicit integrators resulting from $\theta$-method discretization of the overdamped Langevin diffusion stochastic differential equation. Theoretical and algorithmic properties of the resulting sampling methods for $ \theta \in [0,1] $ and a range of step sizes are established. Our results generalize and extend prior works in several directions. In particular, for $\theta\ge 1/2$, we prove geometric ergodicity and stability of the resulting methods for all step sizes. We show that obtaining subsequent samples amounts to solving a strongly-convex optimization problem, which is readily achievable using one of numerous existing methods. Numerical examples supporting our theoretical analysis are also presented.
Liam Hodgkinson, Robert Salomone, Fred (Farbod) Roosta
J. Mach. Learn. Res.3
2021 Limit theorems for out-of-sample extensions of the adjacency and Laplacian spectral embeddings
abstract
Graph embeddings, a class of dimensionality reduction techniques designed for relational data, have proven useful in exploring and modeling network structure. Most dimensionality reduction methods allow out-of-sample extensions, by which an embedding can be applied to observations not present in the training set. Applied to graphs, the out-of-sample extension problem concerns how to compute the embedding of a vertex that is added to the graph after an embedding has already been computed. In this paper, we consider the out-of-sample extension problem for two graph embedding procedures: the adjacency spectral embedding and the Laplacian spectral embedding. In both cases, we prove that when the underlying graph is generated according to a latent space model called the random dot product graph, which includes the popular stochastic block model as a special case, an out-of-sample extension based on a least-squares objective obeys a central limit theorem. In addition, we prove a concentration inequality for the out-of-sample extension of the adjacency spectral embedding based on a maximum-likelihood objective. Our results also yield a convenient framework in which to analyze trade-offs between estimation accuracy and computational expenses, which we explore briefly. Finally, we explore the performance of these out-of-sample extensions as applied to both simulated and real-world data. We observe significant computational savings with minimal losses to the quality of the learned embeddings, in keeping with our theoretical results.
Keith D. Levin, Fred (Farbod) Roosta, Minh Tang, Michael W. Mahoney, Carey E. Priebe
J. Mach. Learn. Res.2
2020 DINO: Distributed Newton-Type Optimization Method
abstract
We present a novel communication-efficient Newton-type algorithm for finite-sum optimization over a distributed computing environment. Our method, named DINO, overcomes both theoretical and practical shortcomings of similar existing methods. Under minimal assumptions, we guarantee global sub-linear convergence of DINO to a first-order stationary point for general non-convex functions and arbitrary data distribution over the network. Furthermore, for functions satisfying Polyak-Lojasiewicz (PL) inequality, we show that DINO enjoys a linear convergence rate. Our proposed algorithm is practically parameter free, in that it will converge regardless of the selected hyper-parameters, which are easy to tune. Additionally, its sub-problems are simple linear least-squares, for which efficient solvers exist, and numerical simulations demonstrate the efficiency of DINO as compared with similar alternatives.
Rixon Crane, Fred (Farbod) Roosta
ICML2
2020 Newton-ADMM: a distributed GPU-accelerated optimizer for multiclass classification problems
abstract
First-order optimization techniques, such as stochastic gradient descent (SGD) and its variants, are widely used in machine learning applications due to their simplicity and low per-iteration costs. However, they often require larger numbers of iterations, with associated communication costs in distributed environments. In contrast, Newton-type methods, while having higher per-iteration computation costs, typically require a significantly smaller number of iterations, which directly translates to reduced communication costs. We present a novel distributed optimizer for classification problems, which integrates a GPU-accelerated Newton-type solver with the global consensus formulation of Alternating Direction of Method Multipliers (ADMM). By leveraging the communication efficiency of ADMM, a highly efficient GPUaccelerated inexact-Newton solver, and an effective spectral penalty parameter selection strategy, we show that our proposed method (i) yields better generalization performance on several classification problems; (ii) significantly outperforms state-of-the-art methods in distributed time to solution; and (iii) offers better scaling on large distributed platforms.
Chih-Hao Fang, Sudhir B. Kylasa, Fred (Farbod) Roosta, Michael W. Mahoney, Ananth Grama
SC3
2020 Second-order Optimization for Non-convex Machine Learning: an Empirical Study
abstract
While first-order optimization methods, such as SGD are popular in machine learning (ML), they come with well-known deficiencies, including relatively-slow convergence, sensitivity to the settings of hyper-parameters such as learning rate, stagnation at high training errors, and difficulty in escaping flat regions and saddle points. These issues are particularly acute in highly non-convex settings such as those arising in neural networks. Motivated by this, there has been recent interest in second-order methods that aim to alleviate these shortcomings by capturing curvature information. In this paper, we report detailed empirical evaluations of a class of Newton-type methods, namely sub-sampled variants of trust region (TR) and adaptive regularization with cubics (ARC) algorithms, for non-convex ML problems. In doing so, we demonstrate that these methods not only can be computationally competitive with hand-tuned SGD with momentum, obtaining comparable or better generalization performance, but also they are highly robust to hyper-parameter settings. Further, we show that the manner in which these Newton-type methods employ curvature information allows them to seamlessly escape flat regions and saddle points.
Fred (Farbod) Roosta, Michael W. Mahoney
SDM2
2019 Exchangeability and Kernel Invariance in Trained MLPs
abstract
In the analysis of machine learning models, it is often convenient to assume that the parameters are IID. This assumption is not satisfied when the parameters are updated through training processes such as Stochastic Gradient Descent. A relaxation of the IID condition is a probabilistic symmetry known as exchangeability. We show the sense in which the weights in MLPs are exchangeable. This yields the result that in certain instances, the layer-wise kernel of fully-connected layers remains approximately constant during training. Our results shed light on such kernel properties throughout training while limiting the use of unrealistic assumptions.
Russell Tsuchida, Fred (Farbod) Roosta, Marcus Gallagher
IJCAI2
2019 DINGO: Distributed Newton-Type Method for Gradient-Norm Optimization
abstract
For optimization of a large sum of functions in a distributed computing environment, we present a novel communication efficient Newton-type algorithm that enjoys a variety of advantages over similar existing methods. Our algorithm, DINGO, is derived by optimization of the gradient's norm as a surrogate function. DINGO does not impose any specific form on the underlying functions and its application range extends far beyond convexity and smoothness. The underlying sub-problems of DINGO are simple linear least-squares, for which a plethora of efficient algorithms exist. DINGO involves a few hyper-parameters that are easy to tune and we theoretically show that a strict reduction in the surrogate objective is guaranteed, regardless of the selected hyper-parameters.
Rixon Crane, Fred (Farbod) Roosta
NeurIPS2
2019 GPU Accelerated Sub-Sampled Newton's Method for Convex Classification Problems
abstract
First order optimization methods, which rely only on gradient information, are commonly used in diverse machine learning (ML) applications, owing to their simplicity of implementations and low per-iteration computational/storage costs. However, they suffer from significant disadvantages; most notably, their performance degrades with increasing problem ill-conditioning. Furthermore, they often involve a large number of hyperparameters, and are notoriously sensitive to parameters such as the step-size. By incorporating additional information from the Hessian, second-order methods, have been shown to be resilient to many such adversarial effects. However, these advantages come at the expense of higher per-iteration costs, which in “big data” regimes, can be computationally prohibitive. In this paper, we show that, contrary to conventional belief, second-order methods, when designed suitably, can be much more efficient than first-order alternatives for large-scale ML applications. In convex settings, we show that variants of classical Newton's method in which the Hessian and/or gradient are randomly subsampled, coupled with efficient GPU implementations, far outperform state of the art implementations of existing techniques in popular ML software packages such as TensorFlow. We show that our proposed methods (i) achieve better generalization errors in significantly lower wall-clock time – orders of magnitude faster, compared to first-order alternatives (in TensorFlow) and, (ii) offers significantly smaller (and easily parameterized) hyperparameter space making our methods highly robust.
Sudhir B. Kylasa, Fred (Farbod) Roosta, Michael W. Mahoney, Ananth Grama
SDM2
2018 FLAG n' FLARE: Fast Linearly-Coupled Adaptive Gradient Methods
abstract
We consider first order gradient methods for effectively optimizing a composite objective in the form of a sum of smooth and, potentially, non-smooth functions. We present accelerated and adaptive gradient methods, called FLAG and FLARE, which can offer the best of both worlds. They can achieve the optimal convergence rate by attaining the optimal first-order oracle complexity for smooth convex optimization. Additionally, they can adaptively and non-uniformly re-scale the gradient direction to adapt to the limited curvature available and conform to the geometry of the domain. We show theoretically and empirically that, through the compounding effects of acceleration and adaptivity, FLAG and FLARE can be highly effective for many data fitting and machine learning applications.
Xiang Cheng 0006, Fred (Farbod) Roosta, Stefan Palombo, Peter L. Bartlett, Michael W. Mahoney
AISTATS2
2018 Out-of-sample extension of graph adjacency spectral embedding
abstract
Many popular dimensionality reduction procedures have out-of-sample extensions, which allow a practitioner to apply a learned embedding to observations not seen in the initial training sample. In this work, we consider the problem of obtaining an out-of-sample extension for the adjacency spectral embedding, a procedure for embedding the vertices of a graph into Euclidean space. We present two different approaches to this problem, one based on a least-squares objective and the other based on a maximum-likelihood formulation. We show that if the graph of interest is drawn according to a certain latent position model called a random dot product graph, then both of these out-of-sample extensions estimate the true latent position of the out-of-sample vertex with the same error rate. Further, we prove a central limit theorem for the least-squares-based extension, showing that the estimate is asymptotically normal about the truth in the large-graph limit.
Keith D. Levin, Fred (Farbod) Roosta, Michael W. Mahoney, Carey E. Priebe
ICML2
2018 Invariance of Weight Distributions in Rectified MLPs
abstract
An interesting approach to analyzing neural networks that has received renewed attention is to examine the equivalent kernel of the neural network. This is based on the fact that a fully connected feedforward network with one hidden layer, a certain weight distribution, an activation function, and an infinite number of neurons can be viewed as a mapping into a Hilbert space. We derive the equivalent kernels of MLPs with ReLU or Leaky ReLU activations for all rotationally-invariant weight distributions, generalizing a previous result that required Gaussian weight distributions. Additionally, the Central Limit Theorem is used to show that for certain activation functions, kernels corresponding to layers with weight distributions having $0$ mean and finite absolute third moment are asymptotically universal, and are well approximated by the kernel corresponding to layers with spherical Gaussian weights. In deep networks, as depth increases the equivalent kernel approaches a pathological fixed point, which can be used to argue why training randomly initialized networks can be difficult. Our results also have implications for weight initialization.
Russell Tsuchida, Fred (Farbod) Roosta, Marcus Gallagher
ICML2
2018 GIANT: Globally Improved Approximate Newton Method for Distributed Optimization
abstract
For distributed computing environment, we consider the empirical risk minimization problem and propose a distributed and communication-efficient Newton-type optimization method. At every iteration, each worker locally finds an Approximate NewTon (ANT) direction, which is sent to the main driver. The main driver, then, averages all the ANT directions received from workers to form a Globally Improved ANT (GIANT) direction. GIANT is highly communication efficient and naturally exploits the trade-offs between local computations and global communications in that more local computations result in fewer overall rounds of communications. Theoretically, we show that GIANT enjoys an improved convergence rate as compared with first-order methods and existing distributed Newton-type methods. Further, and in sharp contrast with many existing distributed Newton-type methods, as well as popular first-order methods, a highly advantageous practical feature of GIANT is that it only involves one tuning parameter. We conduct large-scale experiments on a computer cluster and, empirically, demonstrate the superior performance of GIANT.
Shusen Wang, Fred (Farbod) Roosta, Michael W. Mahoney
NeurIPS2
2017 Union of Intersections (UoI) for Interpretable Data Driven Discovery and Prediction
abstract
The increasing size and complexity of scientific data could dramatically enhance discovery and prediction for basic scientific applications, e.g., neuroscience, genetics, systems biology, etc. Realizing this potential, however, requires novel statistical analysis methods that are both interpretable and predictive. We introduce the Union of Intersections (UoI) method, a flexible, modular, and scalable framework for enhanced model selection and estimation. The method performs model selection and model estimation through intersection and union operations, respectively. We show that UoI can satisfy the bi-criteria of low-variance and nearly unbiased estimation of a small number of interpretable features, while maintaining high-quality prediction accuracy. We perform extensive numerical investigation to evaluate a UoI algorithm ($UoI_{Lasso}$) on synthetic and real data. In doing so, we demonstrate the extraction of interpretable functional networks from human electrophysiology recordings as well as the accurate prediction of phenotypes from genotype-phenotype data with reduced features. We also show (with the $UoI_{L1Logistic}$ and $UoI_{CUR}$ variants of the basic framework) improved prediction parsimony for classification and matrix factorization on several benchmark biomedical data sets. These results suggest that methods based on UoI framework could improve interpretation and prediction in data-driven discovery across scientific fields.
Kristofer E. Bouchard, Alejandro F. Bujan, Fred (Farbod) Roosta, Shashanka Ubaru, Prabhat, Antoine Snijders, Jian-Hua Mao, Edward F. Chang, Michael W. Mahoney, Sharmodeep Bhattacharyya
NIPS3
2016 Sub-sampled Newton Methods with Non-uniform Sampling
abstract
We consider the problem of finding the minimizer of a convex function $F: \mathbb R^d \rightarrow \mathbb R$ of the form $F(w) \defeq \sum_{i=1}^n f_i(w) + R(w)$ where a low-rank factorization of $\nabla^2 f_i(w)$ is readily available.We consider the regime where $n \gg d$. We propose randomized Newton-type algorithms that exploit \textit{non-uniform} sub-sampling of $\{\nabla^2 f_i(w)\}_{i=1}^{n}$, as well as inexact updates, as means to reduce the computational complexity, and are applicable to a wide range of problems in machine learning. Two non-uniform sampling distributions based on {\it block norm squares} and {\it block partial leverage scores} are considered. Under certain assumptions, we show that our algorithms inherit a linear-quadratic convergence rate in $w$ and achieve a lower computational complexity compared to similar existing methods. In addition, we show that our algorithms exhibit more robustness and better dependence on problem specific quantities, such as the condition number. We numerically demonstrate the advantages of our algorithms on several real datasets.
Jiyan Yang, Fred (Farbod) Roosta, Christopher Ré, Michael W. Mahoney
NIPS3
2016 Parallel Local Graph Clustering
abstract
Graph clustering has many important applications in computing, but due to growing sizes of graph, even traditionally fast clustering methods such as spectral partitioning can be computationally expensive for real-world graphs of interest. Motivated partly by this, so-called local algorithms for graph clustering have received significant interest due to the fact that they can find good clusters in a graph with work proportional to the size of the cluster rather than that of the entire graph. This feature has proven to be crucial in making such graph clustering and many of its downstream applications efficient in practice. While local clustering algorithms are already faster than traditional algorithms that touch the entire graph, they are sequential and there is an opportunity to make them even more efficient via parallelization. In this paper, we show how to parallelize many of these algorithms in the shared-memory multicore setting, and we analyze the parallel complexity of these algorithms. We present comprehensive experiments on large-scale graphs showing that our parallel algorithms achieve good parallel speedups on a modern multicore machine, thus significantly speeding up the analysis of local graph clusters in the very large-scale setting.
Julian Shun, Fred (Farbod) Roosta, Kimon Fountoulakis, Michael W. Mahoney
Proc. VLDB Endow.2