Anant Raj

Antonio Orvieto, Anant Raj, Hans Kersting et al.

Injecting noise within gradient descent has several desirable features, such as smoothing and regularizing properties. In this paper, we investigate the effects of injecting noise before computing a gradient step. We demonstrate that small perturbations can induce explicit regularization for simple models based on the L1-norm, group L1-norms, or nuclear norms. However, when applied to overparametrized neural networks with large widths, we show that the same perturbations can cause variance explosion. To overcome this, we propose using independent layer-wise perturbations, which provably allow for explicit regularization without variance explosion. Our empirical results show that these small perturbations lead to improved generalization performance compared to vanilla gradient descent.

Belinda Tzen, Anant Raj, Maxim Raginsky et al.

Mirror descent, introduced by Nemirovski and Yudin in the 1970s, is a primal-dual convex optimization method that can be tailored to the geometry of the optimization problem at hand through the choice of a strongly convex potential function. It arises as a basic primitive in a variety of applications, including large-scale optimization, machine learning, and control. This paper proposes a variational formulation of mirror descent and of its stochastic variant, mirror Langevin dynamics. The main idea, inspired by the classic work of Brezis and Ekeland on variational principles for gradient flows, is to show that mirror descent emerges as a closed-loop solution for a certain optimal control problem, and the Bellman value function is given by the Bregman divergence between the initial condition and the global minimizer of the objective function.

Anant Raj, Lingjiong Zhu, Mert Gürbüzbalaban et al.

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.

Anant Raj, Melih Barsbey, Mert Gürbüzbalaban et al.

Recent studies have shown that heavy tails can emerge in stochastic optimization and that the heaviness of the tails have links to the generalization error. While these studies have shed light on interesting aspects of the generalization behavior in modern settings, they relied on strong topological and statistical regularity assumptions, which are hard to verify in practice. Furthermore, it has been empirically illustrated that the relation between heavy tails and generalization might not always be monotonic in practice, contrary to the conclusions of existing theory. In this study, we establish novel links between the tail behavior and generalization properties of stochastic gradient descent (SGD), through the lens of algorithmic stability. We consider a quadratic optimization problem and use a heavy-tailed stochastic differential equation (and its Euler discretization) as a proxy for modeling the heavy-tailed behavior emerging in SGD. We then prove uniform stability bounds, which reveal the following outcomes: (i) Without making any exotic assumptions, we show that SGD will not be stable if the stability is measured with the squared-loss $x\mapsto x^2$, whereas it in turn becomes stable if the stability is instead measured with a surrogate loss $x\mapsto |x|^p$ with some $p<2$. (ii) Depending on the variance of the data, there exists a \emph{`threshold of heavy-tailedness'} such that the generalization error decreases as the tails become heavier, as long as the tails are lighter than this threshold. This suggests that the relation between heavy tails and generalization is not globally monotonic. (iii) We prove matching lower-bounds on uniform stability, implying that our bounds are tight in terms of the heaviness of the tails. We support our theory with synthetic and real neural network experiments.

Anant Raj, Umut Şimşekli, Alessandro Rudi

This paper deals with the problem of efficient sampling from a stochastic differential equation, given the drift function and the diffusion matrix. The proposed approach leverages a recent model for probabilities \cite{rudi2021psd} (the positive semi-definite -- PSD model) from which it is possible to obtain independent and identically distributed (i.i.d.) samples at precision $\varepsilon$ with a cost that is $m^2 d \log(1/\varepsilon)$ where $m$ is the dimension of the model, $d$ the dimension of the space. The proposed approach consists in: first, computing the PSD model that satisfies the Fokker-Planck equation (or its fractional variant) associated with the SDE, up to error $\varepsilon$, and then sampling from the resulting PSD model. Assuming some regularity of the Fokker-Planck solution (i.e. $β$-times differentiability plus some geometric condition on its zeros) We obtain an algorithm that: (a) in the preparatory phase obtains a PSD model with L2 distance $\varepsilon$ from the solution of the equation, with a model of dimension $m = \varepsilon^{-(d+1)/(β-2s)} (\log(1/\varepsilon))^{d+1}$ where $1/2\leq s\leq1$ is the fractional power to the Laplacian, and total computational complexity of $O(m^{3.5} \log(1/\varepsilon))$ and then (b) for Fokker-Planck equation, it is able to produce i.i.d.\ samples with error $\varepsilon$ in Wasserstein-1 distance, with a cost that is $O(d \varepsilon^{-2(d+1)/β-2} \log(1/\varepsilon)^{2d+3})$ per sample. This means that, if the probability associated with the SDE is somewhat regular, i.e. $β\geq 4d+2$, then the algorithm requires $O(\varepsilon^{-0.88} \log(1/\varepsilon)^{4.5d})$ in the preparatory phase, and $O(\varepsilon^{-1/2}\log(1/\varepsilon)^{2d+2})$ for each sample. Our results suggest that as the true solution gets smoother, we can circumvent the curse of dimensionality without requiring any sort of convexity.

Aniket Das, Dheeraj Nagaraj, Anant Raj

We consider stochastic approximations of sampling algorithms, such as Stochastic Gradient Langevin Dynamics (SGLD) and the Random Batch Method (RBM) for Interacting Particle Dynamcs (IPD). We observe that the noise introduced by the stochastic approximation is nearly Gaussian due to the Central Limit Theorem (CLT) while the driving Brownian motion is exactly Gaussian. We harness this structure to absorb the stochastic approximation error inside the diffusion process, and obtain improved convergence guarantees for these algorithms. For SGLD, we prove the first stable convergence rate in KL divergence without requiring uniform warm start, assuming the target density satisfies a Log-Sobolev Inequality. Our result implies superior first-order oracle complexity compared to prior works, under significantly milder assumptions. We also prove the first guarantees for SGLD under even weaker conditions such as Hölder smoothness and Poincare Inequality, thus bridging the gap between the state-of-the-art guarantees for LMC and SGLD. Our analysis motivates a new algorithm called covariance correction, which corrects for the additional noise introduced by the stochastic approximation by rescaling the strength of the diffusion. Finally, we apply our techniques to analyze RBM, and significantly improve upon the guarantees in prior works (such as removing exponential dependence on horizon), under minimal assumptions.

Gyanendra Das, Xavier Thomas, Anant Raj et al.

A large number of annotated video-caption pairs are required for training video captioning models, resulting in high annotation costs. Active learning can be instrumental in reducing these annotation requirements. However, active learning for video captioning is challenging because multiple semantically similar captions are valid for a video, resulting in high entropy outputs even for less-informative samples. Moreover, video captioning algorithms are multimodal in nature with a visual encoder and language decoder. Further, the sequential and combinatorial nature of the output makes the problem even more challenging. In this paper, we introduce MAViC which leverages our proposed Multimodal Semantics Aware Sequential Entropy (M-SASE) based acquisition function to address the challenges of active learning approaches for video captioning. Our approach integrates semantic similarity and uncertainty of both visual and language dimensions in the acquisition function. Our detailed experiments empirically demonstrate the efficacy of M-SASE for active learning for video captioning and improve on the baselines by a large margin.

Yikai Zhang, Songzhu Zheng, Mina Dalirrooyfard et al.

Learning and decision-making in domains with naturally high noise-to-signal ratio, such as Finance or Healthcare, is often challenging, while the stakes are very high. In this paper, we study the problem of learning and acting under a general noisy generative process. In this problem, the data distribution has a significant proportion of uninformative samples with high noise in the label, while part of the data contains useful information represented by low label noise. This dichotomy is present during both training and inference, which requires the proper handling of uninformative data during both training and testing. We propose a novel approach to learning under these conditions via a loss inspired by the selective learning theory. By minimizing this loss, the model is guaranteed to make a near-optimal decision by distinguishing informative data from uninformative data and making predictions. We build upon the strength of our theoretical guarantees by describing an iterative algorithm, which jointly optimizes both a predictor and a selector, and evaluates its empirical performance in a variety of settings.

Keval Jain, Anant Raj, Saurav Prakash et al.

We study a semi-asynchronous client-server perceptron trained via iterative parameter mixing (IPM-style averaging): clients run local perceptron updates and a server forms a global model by aggregating the updates that arrive in each communication round. The setting captures three system effects in federated and distributed deployments: (i) stale updates due to delayed model delivery and delayed application of client computations (two-sided version lag), (ii) partial participation (intermittent client availability), and (iii) imperfect communication on both downlink and uplink, modeled as effective zero-mean additive noise with bounded second moment. We introduce a server-side aggregation rule called staleness-bucket aggregation with padding that deterministically enforces a prescribed staleness profile over update ages without assuming any stochastic model for delays or participation. Under margin separability and bounded data radius, we prove a finite-horizon expected bound on the cumulative weighted number of perceptron mistakes over a given number of server rounds: the impact of delay appears only through the mean enforced staleness, whereas communication noise contributes an additional term that grows on the order of the square root of the horizon with the total noise energy. In the noiseless case, we show how a finite expected mistake budget yields an explicit finite-round stabilization bound under a mild fresh-participation condition.

Michael Lu, Matin Aghaei, Anant Raj et al.

We consider (stochastic) softmax policy gradient (PG) methods for bandits and tabular Markov decision processes (MDPs). While the PG objective is non-concave, recent research has used the objective's smoothness and gradient domination properties to achieve convergence to an optimal policy. However, these theoretical results require setting the algorithm parameters according to unknown problem-dependent quantities (e.g. the optimal action or the true reward vector in a bandit problem). To address this issue, we borrow ideas from the optimization literature to design practical, principled PG methods in both the exact and stochastic settings. In the exact setting, we employ an Armijo line-search to set the step-size for softmax PG and demonstrate a linear convergence rate. In the stochastic setting, we utilize exponentially decreasing step-sizes, and characterize the convergence rate of the resulting algorithm. We show that the proposed algorithm offers similar theoretical guarantees as the state-of-the art results, but does not require the knowledge of oracle-like quantities. For the multi-armed bandit setting, our techniques result in a theoretically-principled PG algorithm that does not require explicit exploration, the knowledge of the reward gap, the reward distributions, or the noise. Finally, we empirically compare the proposed methods to PG approaches that require oracle knowledge, and demonstrate competitive performance.

Saurabh Mishra, Anant Raj, Sharan Vaswani

Inverse optimization involves inferring unknown parameters of an optimization problem from known solutions and is widely used in fields such as transportation, power systems, and healthcare. We study the contextual inverse optimization setting that utilizes additional contextual information to better predict the unknown problem parameters. We focus on contextual inverse linear programming (CILP), addressing the challenges posed by the non-differentiable nature of LPs. For a linear prediction model, we reduce CILP to a convex feasibility problem allowing the use of standard algorithms such as alternating projections. The resulting algorithm for CILP is equipped with theoretical convergence guarantees without additional assumptions such as degeneracy or interpolation. Next, we reduce CILP to empirical risk minimization (ERM) on a smooth, convex loss that satisfies the Polyak-Lojasiewicz condition. This reduction enables the use of scalable first-order optimization methods to solve large non-convex problems while maintaining theoretical guarantees in the convex setting. Subsequently, we use the reduction to ERM to quantify the generalization performance of the proposed algorithm on previously unseen instances. Finally, we experimentally validate our approach on synthetic and real-world problems and demonstrate improved performance compared to existing methods.

Chandan Tankala, Dheeraj M. Nagaraj, Anant Raj

Gradient flow in the 2-Wasserstein space is widely used to optimize functionals over probability distributions and is typically implemented using an interacting particle system with $n$ particles. Analyzing these algorithms requires showing (a) that the finite-particle system converges and/or (b) that the resultant empirical distribution of the particles closely approximates the optimal distribution (i.e., propagation of chaos). However, establishing efficient sufficient conditions can be challenging, as the finite particle system may produce heavily dependent random variables. In this work, we study the virtual particle stochastic approximation, originally introduced for Stein Variational Gradient Descent. This method can be viewed as a form of stochastic gradient descent in the Wasserstein space and can be implemented efficiently. In popular settings, we demonstrate that our algorithm's output converges to the optimal distribution under conditions similar to those for the infinite particle limit, and it produces i.i.d. samples without the need to explicitly establish propagation of chaos bounds.

Yikai Zhang, Jiahe Lin, Fengpei Li et al.

In this work, we study the weighted empirical risk minimization (weighted ERM) schema, in which an additional data-dependent weight function is incorporated when the empirical risk function is being minimized. We show that under a general ``balanceable" Bernstein condition, one can design a weighted ERM estimator to achieve superior performance in certain sub-regions over the one obtained from standard ERM, and the superiority manifests itself through a data-dependent constant term in the error bound. These sub-regions correspond to large-margin ones in classification settings and low-variance ones in heteroscedastic regression settings, respectively. Our findings are supported by evidence from synthetic data experiments.

Sacchit Kale, Piyushi Manupriya, Pierre Marion et al.

Gradient descent and stochastic gradient descent are central to modern machine learning, yet their behavior under large step sizes remains theoretically unclear. Recent work suggests that acceleration often arises near the edge of stability, where optimization trajectories become unstable and difficult to analyze. Existing results for separable logistic regression achieve faster convergence by explicitly leveraging such unstable regimes through constant or adaptive large step sizes. In this paper, we show that instability is not inherent to acceleration. We prove that gradient descent with a simple, non-adaptive increasing step-size schedule achieves exponential convergence for separable logistic regression under a margin condition, while remaining entirely within a stable optimization regime. The resulting method is anytime and does not require prior knowledge of the optimization horizon or target accuracy. We also establish exponential convergence of stochastic gradient descent using a lightweight adaptive step-size rule that avoids line search and specialized procedures, improving upon existing polynomial-rate guarantees. Together, our results demonstrate that carefully structured step-size growth alone suffices to obtain exponential acceleration for both gradient descent and stochastic gradient descent.

Dinesh Karthik Mulumudi, Piyushi Manupriya, Gholamali Aminian et al.

Conditional Value-at-Risk (CVaR) is a widely used risk-sensitive objective for learning under rare but high-impact losses, yet its statistical behavior under heavy-tailed data remains poorly understood. Unlike expectation-based risk, CVaR depends on an endogenous, data-dependent quantile, which couples tail averaging with threshold estimation and fundamentally alters both generalization and robustness properties. In this work, we develop a learning-theoretic analysis of CVaR-based empirical risk minimization under heavy-tailed and contaminated data. We establish sharp, high-probability generalization and excess risk bounds under minimal moment assumptions, covering fixed hypotheses, finite and infinite classes, and extending to $β$-mixing dependent data; we further show that these rates are minimax optimal. To capture the intrinsic quantile sensitivity of CVaR, we derive a uniform Bahadur-Kiefer type expansion that isolates a threshold-driven error term absent in mean-risk ERM and essential in heavy-tailed regimes. We complement these results with robustness guarantees by proposing a truncated median-of-means CVaR estimator that achieves optimal rates under adversarial contamination. Finally, we show that CVaR decisions themselves can be intrinsically unstable under heavy tails, establishing a fundamental limitation on decision robustness even when the population optimum is well separated. Together, our results provide a principled characterization of when CVaR learning generalizes and is robust, and when instability is unavoidable due to tail scarcity.

Ahmed Almeldein, Mohammed Alnaggar, Rick Archibald et al.

The AI for Nuclear Energy workshop at Oak Ridge National Laboratory evaluated the potential of Large Language Models (LLMs) to accelerate fusion and fission research. Fourteen interdisciplinary teams explored diverse nuclear science challenges using ChatGPT, Gemini, Claude, and other AI models over a single day. Applications ranged from developing foundation models for fusion reactor control to automating Monte Carlo simulations, predicting material degradation, and designing experimental programs for advanced reactors. Teams employed structured workflows combining prompt engineering, deep research capabilities, and iterative refinement to generate hypotheses, prototype code, and research strategies. Key findings demonstrate that LLMs excel at early-stage exploration, literature synthesis, and workflow design, successfully identifying research gaps and generating plausible experimental frameworks. However, significant limitations emerged, including difficulties with novel materials designs, advanced code generation for modeling and simulation, and domain-specific details requiring expert validation. The successful outcomes resulted from expert-driven prompt engineering and treating AI as a complementary tool rather than a replacement for physics-based methods. The workshop validated AI's potential to accelerate nuclear energy research through rapid iteration and cross-disciplinary synthesis while highlighting the need for curated nuclear-specific datasets, workflow automation, and specialized model development. These results provide a roadmap for integrating AI tools into nuclear science workflows, potentially reducing development cycles for safer, more efficient nuclear energy systems while maintaining rigorous scientific standards.

Jincheng Mei, Bo Dai, Alekh Agarwal et al. · deepmind

We provide a new understanding of the stochastic gradient bandit algorithm by showing that it converges to a globally optimal policy almost surely using \emph{any} constant learning rate. This result demonstrates that the stochastic gradient algorithm continues to balance exploration and exploitation appropriately even in scenarios where standard smoothness and noise control assumptions break down. The proofs are based on novel findings about action sampling rates and the relationship between cumulative progress and noise, and extend the current understanding of how simple stochastic gradient methods behave in bandit settings.

Sahil Garg, Anderson Schneider, Anant Raj et al.

Building on the remarkable achievements in generative sampling of natural images, we propose an innovative challenge, potentially overly ambitious, which involves generating samples of entire multivariate time series that resemble images. However, the statistical challenge lies in the small sample size, sometimes consisting of a few hundred subjects. This issue is especially problematic for deep generative models that follow the conventional approach of generating samples from a canonical distribution and then decoding or denoising them to match the true data distribution. In contrast, our method is grounded in information theory and aims to implicitly characterize the distribution of images, particularly the (global and local) dependency structure between pixels. We achieve this by empirically estimating its KL-divergence in the dual form with respect to the respective marginal distribution. This enables us to perform generative sampling directly in the optimized 1-D dual divergence space. Specifically, in the dual space, training samples representing the data distribution are embedded in the form of various clusters between two end points. In theory, any sample embedded between those two end points is in-distribution w.r.t. the data distribution. Our key idea for generating novel samples of images is to interpolate between the clusters via a walk as per gradients of the dual function w.r.t. the data dimensions. In addition to the data efficiency gained from direct sampling, we propose an algorithm that offers a significant reduction in sample complexity for estimating the divergence of the data distribution with respect to the marginal distribution. We provide strong theoretical guarantees along with an extensive empirical evaluation using many real-world datasets from diverse domains, establishing the superiority of our approach w.r.t. state-of-the-art deep learning methods.

Lingjiong Zhu, Mert Gurbuzbalaban, Anant Raj et al.

Algorithmic stability is an important notion that has proven powerful for deriving generalization bounds for practical algorithms. The last decade has witnessed an increasing number of stability bounds for different algorithms applied on different classes of loss functions. While these bounds have illuminated various properties of optimization algorithms, the analysis of each case typically required a different proof technique with significantly different mathematical tools. In this study, we make a novel connection between learning theory and applied probability and introduce a unified guideline for proving Wasserstein stability bounds for stochastic optimization algorithms. We illustrate our approach on stochastic gradient descent (SGD) and we obtain time-uniform stability bounds (i.e., the bound does not increase with the number of iterations) for strongly convex losses and non-convex losses with additive noise, where we recover similar results to the prior art or extend them to more general cases by using a single proof technique. Our approach is flexible and can be generalizable to other popular optimizers, as it mainly requires developing Lyapunov functions, which are often readily available in the literature. It also illustrates that ergodicity is an important component for obtaining time-uniform bounds -- which might not be achieved for convex or non-convex losses unless additional noise is injected to the iterates. Finally, we slightly stretch our analysis technique and prove time-uniform bounds for SGD under convex and non-convex losses (without additional additive noise), which, to our knowledge, is novel.

Anant Raj, Francis Bach

Uncertainty sampling in active learning is heavily used in practice to reduce the annotation cost. However, there has been no wide consensus on the function to be used for uncertainty estimation in binary classification tasks and convergence guarantees of the corresponding active learning algorithms are not well understood. The situation is even more challenging for multi-category classification. In this work, we propose an efficient uncertainty estimator for binary classification which we also extend to multiple classes, and provide a non-asymptotic rate of convergence for our uncertainty sampling-based active learning algorithm in both cases under no-noise conditions (i.e., linearly separable data). We also extend our analysis to the noisy case and provide theoretical guarantees for our algorithm under the influence of noise in the task of binary and multi-class classification.

Anant Raj, Pierre Gaillard, Christophe Saad

Online forecasting under a changing environment has been a problem of increasing importance in many real-world applications. In this paper, we consider the meta-algorithm presented in \citet{zhang2017dynamic} combined with different subroutines. We show that an expected cumulative error of order $\tilde{O}(n^{1/3} C_n^{2/3})$ can be obtained for non-stationary online linear regression where the total variation of parameter sequence is bounded by $C_n$. Our paper extends the result of online forecasting of one-dimensional time-series as proposed in \cite{baby2019online} to general $d$-dimensional non-stationary linear regression. We improve the rate $O(\sqrt{n C_n})$ obtained by Zhang et al. 2017 and Besbes et al. 2015. We further extend our analysis to non-stationary online kernel regression. Similar to the non-stationary online regression case, we use the meta-procedure of Zhang et al. 2017 combined with Kernel-AWV (Jezequel et al. 2020) to achieve an expected cumulative controlled by the effective dimension of the RKHS and the total variation of the sequence. To the best of our knowledge, this work is the first extension of non-stationary online regression to non-stationary kernel regression. Lastly, we evaluate our method empirically with several existing benchmarks and also compare it with the theoretical bound obtained in this paper.

Anant Raj, Cameron Musco, Lester Mackey et al.

Model selection requires repeatedly evaluating models on a given dataset and measuring their relative performances. In modern applications of machine learning, the models being considered are increasingly more expensive to evaluate and the datasets of interest are increasing in size. As a result, the process of model selection is time-consuming and computationally inefficient. In this work, we develop a model-specific data subsampling strategy that improves over random sampling whenever training points have varying influence. Specifically, we leverage influence functions to guide our selection strategy, proving theoretically, and demonstrating empirically that our approach quickly selects high-quality models.

Jackson Gorham, Anant Raj, Lester Mackey

Stein discrepancies (SDs) monitor convergence and non-convergence in approximate inference when exact integration and sampling are intractable. However, the computation of a Stein discrepancy can be prohibitive if the Stein operator - often a sum over likelihood terms or potentials - is expensive to evaluate. To address this deficiency, we show that stochastic Stein discrepancies (SSDs) based on subsampled approximations of the Stein operator inherit the convergence control properties of standard SDs with probability 1. Along the way, we establish the convergence of Stein variational gradient descent (SVGD) on unbounded domains, resolving an open question of Liu (2017). In our experiments with biased Markov chain Monte Carlo (MCMC) hyperparameter tuning, approximate MCMC sampler selection, and stochastic SVGD, SSDs deliver comparable inferences to standard SDs with orders of magnitude fewer likelihood evaluations.

Ashkan Soleymani, Anant Raj, Stefan Bauer et al.

The problem of inferring the direct causal parents of a response variable among a large set of explanatory variables is of high practical importance in many disciplines. However, established approaches often scale at least exponentially with the number of explanatory variables, are difficult to extend to nonlinear relationships, and are difficult to extend to cyclic data. Inspired by {\em Debiased} machine learning methods, we study a one-vs.-the-rest feature selection approach to discover the direct causal parent of the response. We propose an algorithm that works for purely observational data while also offering theoretical guarantees, including the case of partially nonlinear relationships possibly under the presence of cycles. As it requires only one estimation for each variable, our approach is applicable even to large graphs. We demonstrate significant improvements compared to established approaches.

Anant Raj, Francis Bach

We consider stochastic gradient methods under the interpolation regime where a perfect fit can be obtained (minimum loss at each observation). While previous work highlighted the implicit regularization of such algorithms, we consider an explicit regularization framework as a minimum Bregman divergence convex feasibility problem. Using convex duality, we propose randomized Dykstra-style algorithms based on randomized dual coordinate ascent. For non-accelerated coordinate descent, we obtain an algorithm which bears strong similarities with (non-averaged) stochastic mirror descent on specific functions, as it is is equivalent for quadratic objectives, and equivalent in the early iterations for more general objectives. It comes with the benefit of an explicit convergence theorem to a minimum norm solution. For accelerated coordinate descent, we obtain a new algorithm that has better convergence properties than existing stochastic gradient methods in the interpolating regime. This leads to accelerated versions of the perceptron for generic $\ell_p$-norm regularizers, which we illustrate in experiments.

Anant Raj, Cameron Musco, Lester Mackey

Given a loss function $F:\mathcal{X} \rightarrow \R^+$ that can be written as the sum of losses over a large set of inputs $a_1,\ldots, a_n$, it is often desirable to approximate $F$ by subsampling the input points. Strong theoretical guarantees require taking into account the importance of each point, measured by how much its individual loss contributes to $F(x)$. Maximizing this importance over all $x \in \mathcal{X}$ yields the \emph{sensitivity score} of $a_i$. Sampling with probabilities proportional to these scores gives strong guarantees, allowing one to approximately minimize of $F$ using just the subsampled points. Unfortunately, sensitivity sampling is difficult to apply since (1) it is unclear how to efficiently compute the sensitivity scores and (2) the sample size required is often impractically large. To overcome both obstacles we introduce \emph{local sensitivity}, which measures data point importance in a ball around some center $x_0$. We show that the local sensitivity can be efficiently estimated using the \emph{leverage scores} of a quadratic approximation to $F$ and that the sample size required to approximate $F$ around $x_0$ can be bounded. We propose employing local sensitivity sampling in an iterative optimization method and analyze its convergence when $F$ is smooth and convex.

Krikamol Muandet, Arash Mehrjou, Si Kai Lee et al.

We present a novel algorithm for non-linear instrumental variable (IV) regression, DualIV, which simplifies traditional two-stage methods via a dual formulation. Inspired by problems in stochastic programming, we show that two-stage procedures for non-linear IV regression can be reformulated as a convex-concave saddle-point problem. Our formulation enables us to circumvent the first-stage regression which is a potential bottleneck in real-world applications. We develop a simple kernel-based algorithm with an analytic solution based on this formulation. Empirical results show that we are competitive to existing, more complicated algorithms for non-linear instrumental variable regression.

Anant Raj, Luigi Gresele, Michel Besserve et al.

The problem of inferring the direct causal parents of a response variable among a large set of explanatory variables is of high practical importance in many disciplines. Recent work exploits stability of regression coefficients or invariance properties of models across different experimental conditions for reconstructing the full causal graph. These approaches generally do not scale well with the number of the explanatory variables and are difficult to extend to nonlinear relationships. Contrary to existing work, we propose an approach which even works for observational data alone, while still offering theoretical guarantees including the case of partially nonlinear relationships. Our algorithm requires only one estimation for each variable and in our experiments we apply our causal discovery algorithm even to large graphs, demonstrating significant improvements compared to well established approaches.

Anant Raj, Ho Chung Leon Law, Dino Sejdinovic et al.

Kernel two-sample testing is a useful statistical tool in determining whether data samples arise from different distributions without imposing any parametric assumptions on those distributions. However, raw data samples can expose sensitive information about individuals who participate in scientific studies, which makes the current tests vulnerable to privacy breaches. Hence, we design a new framework for kernel two-sample testing conforming to differential privacy constraints, in order to guarantee the privacy of subjects in the data. Unlike existing differentially private parametric tests that simply add noise to data, kernel-based testing imposes a challenge due to a complex dependence of test statistics on the raw data, as these statistics correspond to estimators of distances between representations of probability measures in Hilbert spaces. Our approach considers finite dimensional approximations to those representations. As a result, a simple chi-squared test is obtained, where a test statistic depends on a mean and covariance of empirical differences between the samples, which we perturb for a privacy guarantee. We investigate the utility of our framework in two realistic settings and conclude that our method requires only a relatively modest increase in sample size to achieve a similar level of power to the non-private tests in both settings.

Youssef Mroueh, Tom Sercu, Anant Raj

We study a simplification of GAN training: the problem of transporting particles from a source to a target distribution. Starting from the Sobolev GAN critic, part of the gradient regularized GAN family, we show a strong relation with Optimal Transport (OT). Specifically with the less popular dynamic formulation of OT that finds a path of distributions from source to target minimizing a ``kinetic energy''. We introduce Sobolev descent that constructs similar paths by following gradient flows of a critic function in a kernel space or parametrized by a neural network. In the kernel version, we show convergence to the target distribution in the MMD sense. We show in theory and experiments that regularization has an important role in favoring smooth transitions between distributions, avoiding large gradients from the critic. This analysis in a simplified particle setting provides insight in paths to equilibrium in GANs.

Anant Raj, Sebastian U. Stich

Variance reduced stochastic gradient (SGD) methods converge significantly faster than the vanilla SGD counterpart. However, these methods are not very practical on large scale problems, as they either i) require frequent passes over the full data to recompute gradients---without making any progress during this time (like for SVRG), or ii)~they require additional memory that can surpass the size of the input problem (like for SAGA). In this work, we propose $k$-SVRG that addresses these issues by making best use of the \emph{available} memory and minimizes the stalling phases without progress. We prove linear convergence of $k$-SVRG on strongly convex problems and convergence to stationary points on non-convex problems. Numerical experiments show the effectiveness of our method.

Francesco Locatello, Anant Raj, Sai Praneeth Karimireddy et al.

Two popular examples of first-order optimization methods over linear spaces are coordinate descent and matching pursuit algorithms, with their randomized variants. While the former targets the optimization by moving along coordinates, the latter considers a generalized notion of directions. Exploiting the connection between the two algorithms, we present a unified analysis of both, providing affine invariant sublinear $\mathcal{O}(1/t)$ rates on smooth objectives and linear convergence on strongly convex objectives. As a byproduct of our affine invariant analysis of matching pursuit, our rates for steepest coordinate descent are the tightest known. Furthermore, we show the first accelerated convergence rate $\mathcal{O}(1/t^2)$ for matching pursuit and steepest coordinate descent on convex objectives.

Youssef Mroueh, Chun-Liang Li, Tom Sercu et al.

We propose a new Integral Probability Metric (IPM) between distributions: the Sobolev IPM. The Sobolev IPM compares the mean discrepancy of two distributions for functions (critic) restricted to a Sobolev ball defined with respect to a dominant measure $μ$. We show that the Sobolev IPM compares two distributions in high dimensions based on weighted conditional Cumulative Distribution Functions (CDF) of each coordinate on a leave one out basis. The Dominant measure $μ$ plays a crucial role as it defines the support on which conditional CDFs are compared. Sobolev IPM can be seen as an extension of the one dimensional Von-Mises Cramér statistics to high dimensional distributions. We show how Sobolev IPM can be used to train Generative Adversarial Networks (GANs). We then exploit the intrinsic conditioning implied by Sobolev IPM in text generation. Finally we show that a variant of Sobolev GAN achieves competitive results in semi-supervised learning on CIFAR-10, thanks to the smoothness enforced on the critic by Sobolev GAN which relates to Laplacian regularization.

Sebastian U. Stich, Anant Raj, Martin Jaggi

Importance sampling has become an indispensable strategy to speed up optimization algorithms for large-scale applications. Improved adaptive variants - using importance values defined by the complete gradient information which changes during optimization - enjoy favorable theoretical properties, but are typically computationally infeasible. In this paper we propose an efficient approximation of gradient-based sampling, which is based on safe bounds on the gradient. The proposed sampling distribution is (i) provably the best sampling with respect to the given bounds, (ii) always better than uniform sampling and fixed importance sampling and (iii) can efficiently be computed - in many applications at negligible extra cost. The proposed sampling scheme is generic and can easily be integrated into existing algorithms. In particular, we show that coordinate-descent (CD) and stochastic gradient descent (SGD) can enjoy significant a speed-up under the novel scheme. The proven efficiency of the proposed sampling is verified by extensive numerical testing.

Sebastian U. Stich, Anant Raj, Martin Jaggi

We propose a new selection rule for the coordinate selection in coordinate descent methods for huge-scale optimization. The efficiency of this novel scheme is provably better than the efficiency of uniformly random selection, and can reach the efficiency of steepest coordinate descent (SCD), enabling an acceleration of a factor of up to $n$, the number of coordinates. In many practical applications, our scheme can be implemented at no extra cost and computational efficiency very close to the faster uniform selection. Numerical experiments with Lasso and Ridge regression show promising improvements, in line with our theoretical guarantees.

Anant Raj, Abhishek Kumar, Youssef Mroueh et al.

Invariance to nuisance transformations is one of the desirable properties of effective representations. We consider transformations that form a \emph{group} and propose an approach based on kernel methods to derive local group invariant representations. Locality is achieved by defining a suitable probability distribution over the group which in turn induces distributions in the input feature space. We learn a decision function over these distributions by appealing to the powerful framework of kernel methods and generate local invariant random feature maps via kernel approximations. We show uniform convergence bounds for kernel approximation and provide excess risk bounds for learning with these features. We evaluate our method on three real datasets, including Rotated MNIST and CIFAR-10, and observe that it outperforms competing kernel based approaches. The proposed method also outperforms deep CNN on Rotated-MNIST and performs comparably to the recently proposed group-equivariant CNN.

Anant Raj, Jakob Olbrich, Bernd Gärtner et al.

We propose a new framework for deriving screening rules for convex optimization problems. Our approach covers a large class of constrained and penalized optimization formulations, and works in two steps. First, given any approximate point, the structure of the objective function and the duality gap is used to gather information on the optimal solution. In the second step, this information is used to produce screening rules, i.e. safely identifying unimportant weight variables of the optimal solution. Our general framework leads to a large variety of useful existing as well as new screening rules for many applications. For example, we provide new screening rules for general simplex and $L_1$-constrained problems, Elastic Net, squared-loss Support Vector Machines, minimum enclosing ball, as well as structured norm regularized problems, such as group lasso.

Ayush Mittal, Anant Raj, Vinay P. Namboodiri et al.

The goal of domain adaptation is to adapt models learned on a source domain to a particular target domain. Most methods for unsupervised domain adaptation proposed in the literature to date, assume that the set of classes present in the target domain is identical to the set of classes present in the source domain. This is a restrictive assumption that limits the practical applicability of unsupervised domain adaptation techniques in real world settings ("in the wild"). Therefore, we relax this constraint and propose a technique that allows the set of target classes to be a subset of the source classes. This way, large publicly available annotated datasets with a wide variety of classes can be used as source, even if the actual set of classes in target can be more limited and, maybe most importantly, unknown beforehand. To this end, we propose an algorithm that orders a set of source subspaces that are relevant to the target classification problem. Our method then chooses a restricted set from this ordered set of source subspaces. As an extension, even starting from multiple source datasets with varied sets of categories, this method automatically selects an appropriate subset of source categories relevant to a target dataset. Empirical analysis on a number of source and target domain datasets shows that restricting the source subspace to only a subset of categories does indeed substantially improve the eventual target classification accuracy over the baseline that considers all source classes.

Anant Raj, Vinay P. Namboodiri, Tinne Tuytelaars

In this paper, we propose subspace alignment based domain adaptation of the state of the art RCNN based object detector. The aim is to be able to achieve high quality object detection in novel, real world target scenarios without requiring labels from the target domain. While, unsupervised domain adaptation has been studied in the case of object classification, for object detection it has been relatively unexplored. In subspace based domain adaptation for objects, we need access to source and target subspaces for the bounding box features. The absence of supervision (labels and bounding boxes are absent) makes the task challenging. In this paper, we show that we can still adapt sub- spaces that are localized to the object by obtaining detections from the RCNN detector trained on source and applied on target. Then we form localized subspaces from the detections and show that subspace alignment based adaptation between these subspaces yields improved object detection. This evaluation is done by considering challenging real world datasets of PASCAL VOC as source and validation set of Microsoft COCO dataset as target for various categories.

Anant Raj, Vinay P. Namboodiri, Tinne Tuytelaars

Domain adaptation techniques aim at adapting a classifier learnt on a source domain to work on the target domain. Exploiting the subspaces spanned by features of the source and target domains respectively is one approach that has been investigated towards solving this problem. These techniques normally assume the existence of a single subspace for the entire source / target domain. In this work, we consider the hierarchical organization of the data and consider multiple subspaces for the source and target domain based on the hierarchy. We evaluate different subspace based domain adaptation techniques under this setting and observe that using different subspaces based on the hierarchy yields consistent improvement over a non-hierarchical baseline

Bo Dai, Bo Xie, Niao He et al.

The general perception is that kernel methods are not scalable, and neural nets are the methods of choice for nonlinear learning problems. Or have we simply not tried hard enough for kernel methods? Here we propose an approach that scales up kernel methods using a novel concept called "doubly stochastic functional gradients". Our approach relies on the fact that many kernel methods can be expressed as convex optimization problems, and we solve the problems by making two unbiased stochastic approximations to the functional gradient, one using random training points and another using random functions associated with the kernel, and then descending using this noisy functional gradient. We show that a function produced by this procedure after $t$ iterations converges to the optimal function in the reproducing kernel Hilbert space in rate $O(1/t)$, and achieves a generalization performance of $O(1/\sqrt{t})$. This doubly stochasticity also allows us to avoid keeping the support vectors and to implement the algorithm in a small memory footprint, which is linear in number of iterations and independent of data dimension. Our approach can readily scale kernel methods up to the regimes which are dominated by neural nets. We show that our method can achieve competitive performance to neural nets in datasets such as 8 million handwritten digits from MNIST, 2.3 million energy materials from MolecularSpace, and 1 million photos from ImageNet.