We present hls4ml , a free and open source platform that translates machine learning (ML) models from modern deep learning frameworks into high-level synthesis (HLS) code that can be integrated into full designs for field-programmable gate arrays (FPGAs) or application-specific integrated circuits (ASICs). With its flexible and modular design, hls4ml supports a large number of deep learning frameworks and can target HLS compilers from several vendors, including Vitis HLS, Intel oneAPI and Catapult HLS. Together with a wider eco-system for software-hardware co-design, hls4ml has enabled the acceleration of ML inference in a wide range of commercial and scientific applications where low latency, resource usage, and power consumption are critical. In this article, we describe the structure and functionality of the hls4ml platform. The overarching design considerations for the generated HLS code are discussed, together with selected performance results.

Sampling and automatic differentiation are both ubiquitous in modern machine learning. At its intersection, differentiating through a sampling operation, with respect to the parameters of the sampling process, is a problem that is both challenging and broadly applicable. We introduce a general framework and a new algorithm for first-order optimization of parameterized stochastic diffusions, performing jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical and experimental results showcasing the performance of our method.

Aligning language models with human preferences is crucial for reducing errors and biases in these models. Alignment techniques, such as reinforcement learning from human feedback (RLHF), are typically cast as optimizing a tradeoff between human preference rewards and a proximity regularization term that encourages staying close to the unaligned model. Selecting an appropriate level of regularization is critical: insufficient regularization can lead to reduced model capabilities due to reward hacking, whereas excessive regularization hinders alignment. Traditional methods for finding the optimal regularization level require retraining multiple models with varying regularization strengths. This process, however, is resource-intensive, especially for large models. To address this challenge, we propose decoding-time realignment (DeRa), a simple method to explore and evaluate different regularization strengths in aligned models without retraining. DeRa enables control over the degree of alignment, allowing users to smoothly transition between unaligned and aligned models. It also enhances the efficiency of hyperparameter tuning by enabling the identification of effective regularization strengths using a validation dataset.

Neural networks can be trained to solve regression problems by using gradient-based methods to minimize the square loss. However, practitioners often prefer to reformulate regression as a classification problem, observing that training on the cross entropy loss results in better performance. By focusing on two-layer ReLU networks, which can be fully characterized by measures over their feature space, we explore how the implicit bias induced by gradient-based optimization could partly explain the above phenomenon. We provide theoretical evidence that the regression formulation yields a measure whose support can differ greatly from that for classification, in the case of one-dimensional data. Our proposed optimal supports correspond directly to the features learned by the input layer of the network. The different nature of these supports sheds light on possible optimization difficulties the square loss could encounter during training, and we present empirical results illustrating this phenomenon.

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

We introduce a differentiable clustering method based on stochastic perturbations of minimum-weight spanning forests. This allows us to include clustering in end-to-end trainable pipelines, with efficient gradients. We show that our method performs well even in difficult settings, such as data sets with high noise and challenging geometries. We also formulate an ad hoc loss to efficiently learn from partial clustering data using this operation. We demonstrate its performance on several data sets for supervised and semi-supervised tasks.

Automatic differentiation (autodiff) has revolutionized machine learning. Itallows to express complex computations by composing elementary ones in creativeways and removes the burden of computing their derivatives by hand. Morerecently, differentiation of optimization problem solutions has attractedwidespread attention with applications such as optimization layers, and inbi-level problems such as hyper-parameter optimization and meta-learning.However, so far, implicit differentiation remained difficult to use forpractitioners, as it often required case-by-case tedious mathematicalderivations and implementations. In this paper, we proposeautomatic implicit differentiation, an efficientand modular approach for implicit differentiation of optimization problems. Inour approach, the user defines directly in Python a function $F$ capturing theoptimality conditions of the problem to be differentiated. Once this is done, weleverage autodiff of $F$ and the implicit function theorem to automaticallydifferentiate the optimization problem. Our approach thus combines the benefitsof implicit differentiation and autodiff. It is efficient as it can be added ontop of any state-of-the-art solver and modular as the optimality conditionspecification is decoupled from the implicit differentiation mechanism. We showthat seemingly simple principles allow to recover many existing implicitdifferentiation methods and create new ones easily. We demonstrate the ease offormulating and solving bi-level optimization problems using our framework. Wealso showcase an application to the sensitivity analysis of molecular dynamics.

We consider the problem of minimizing the sum of two convex functions. One of those functions has Lipschitz-continuous gradients, and can be accessed via stochastic oracles, whereas the other is ``simple''. We provide a Bregman-type algorithm with accelerated convergence in function values to a ball containing the minimum. The radius of this ball depends on problem-dependent constants, including the variance of the stochastic oracle. We further show that this algorithmic setup naturally leads to a variant of Frank-Wolfe achieving acceleration under parallelization. More precisely, when minimizing a smooth convex function on a bounded domain, we show that one can achieve an $\epsilon$ primal-dual gap (in expectation) in $\tilde{O}(1 /\sqrt{\epsilon})$ iterations, by only accessing gradients of the original function and a linear maximization oracle with $O(1 / \sqrt{\epsilon})$ computing units in parallel. We illustrate this fast convergence on synthetic numerical experiments.

Self-supervised pre-training using so-called “pretext” tasks has recently shown impressive performance across a wide range of modalities. In this work, we advance self-supervised learning from permutations, by pre-training a model to reorder shuffled parts of the spectrogram of an audio signal, to improve downstream classification performance. We make two main contributions. First, we overcome the main challenges of integrating permutation inversions into an end-to-end training scheme, using recent advances in differentiable ranking. This was heretofore sidestepped by casting the reordering task as classification, fundamentally reducing the space of permutations that can be exploited. Our experiments validate that learning from all possible permutations improves the quality of the pre-trained representations over using a limited, fixed set. Second, we show that inverting permutations is a meaningful pretext task for learning audio representations in an unsupervised fashion. In particular, we improve instrument classification and pitch estimation of musical notes by reordering spectrogram patches in the time-frequency space.

We consider the problem of graph logistic regression, based on partial observation of a large network, and on side information associated to its vertices. The generative model is formulated as a matrix logistic regression. The performance of the model is analyzed in a high-dimensional regime under a structural assumption. The optimal statistical rates are derived, and an estimator based on penalized maximum likelihood is shown to attain it. The algorithmic aspects of this problem are also studied, and optimal rates under computational constraints are derived, and shown to differ from the information-theoretic rates - under a complexity assumption.

Optimal transport is a foundational problem in optimization, that allows to compare probability distributions while taking into account geometric aspects. Its optimal objective value, the Wasserstein distance, provides an important loss between distributions that has been used in many applications throughout machine learning and statistics. Recent algorithmic progress on this problem and its regularized versions have made these tools increasingly popular. However, existing techniques require solving an optimization problem to obtain a single gradient of the loss, thus slowing down first-order methods to minimize the sum of losses, that require many such gradient computations. In this work, we introduce an algorithm to solve a regularized version of this problem of Wasserstein estimators, with a time per step which is sublinear in the natural dimensions of the problem. We introduce a dual formulation, and optimize it with stochastic gradient steps that can be computed directly from samples, without solving additional optimization problems at each step. Doing so, the estimation and computation tasks are performed jointly. We show that this algorithm can be extended to other tasks, including estimation of Wasserstein barycenters. We provide theoretical guarantees and illustrate the performance of our algorithm with experiments on synthetic data.

The sorting operation is one of the most commonly used building blocks in computer programming. In machine learning, it is often used for robust statistics. However, seen as a function, it is piecewise linear and as a result includes many kinks where it is non-differentiable. More problematic is the related ranking operator, often used for order statistics and ranking metrics. It is a piecewise constant function, meaning that its derivatives are null or undefined. While numerous works have proposed differentiable proxies to sorting and ranking, they do not achieve the $O(n \log n)$ time complexity one would expect from sorting and ranking operations. In this paper, we propose the first differentiable sorting and ranking operators with $O(n \log n)$ time and $O(n)$ space complexity. Our proposal in addition enjoys exact computation and differentiation. We achieve this feat by constructing differentiable operators as projections onto the permutahedron, the convex hull of permutations, and using a reduction to isotonic optimization. Empirically, we confirm that our approach is an order of magnitude faster than existing approaches and showcase two novel applications: differentiable Spearman’s rank correlation coefficient and least trimmed squares.

Machine learning pipelines often rely on optimizers procedures to make discrete decisions (e.g., sorting, picking closest neighbors, or shortest paths). Although these discrete decisions are easily computed in a forward manner, they break the back-propagation of computational graphs. In order to expand the scope of learning problems that can be solved in an end-to-end fashion, we propose a systematic method to transform optimizers into operations that are differentiable and never locally constant. Our approach relies on stochastically perturbed optimizers, and can be used readily within existing solvers. Their derivatives can be evaluated efficiently, and smoothness tuned via the chosen noise amplitude. We also show how this framework can be connected to a family of losses developed in structured prediction, and give theoretical guarantees for their use in learning tasks. We demonstrate experimentally the performance of our approach on various tasks.

We study the detection problem of finding planted solutions in random instances of flat satisfiability problems, a generalization of boolean satisfiability formulas. We describe the properties of random instances of flat satisfiability, as well of the optimal rates of detection of the associated hypothesis testing problem. We also study the performance of an algorithmically efficient testing procedure. We introduce a modification of our model, the light planting of solutions, and show that it is as hard as the problem of learning parity with noise. This hints strongly at the difficulty of detecting planted flat satisfiability for a wide class of tests.

We study the problem of hypothesis testing between two discrete distributions, where we only have access to samples after the action of a known reversible Markov chain, playing the role of noise. We derive instance-dependent minimax rates for the sample complexity of this problem, and show how its dependence in time is related to the spectral properties of the Markov chain. We show that there exists a wide statistical window, in terms of sample complexity for hypothesis testing between different pairs of initial distributions. We illustrate these results in several concrete examples.

We consider the stochastic contextual bandit problem with additional regularization. The motivation comes from problems where the policy of the agent must be close to some baseline policy which is known to perform well on the task. To tackle this problem we use a nonparametric model and propose an algorithm splitting the context space into bins, and solving simultaneously — and independently — regularized multi-armed bandit instances on each bin. We derive slow and fast rates of convergence, depending on the unknown complexity of the problem. We also consider a new relevant margin condition to get problem-independent convergence rates, ending up in intermediate convergence rates interpolating between the aforementioned slow and fast rates.

We consider the task of aligning two sets of points in high dimension, which has many applications in natural language processing and computer vision. As an example, it was recently shown that it is possible to infer a bilingual lexicon, without supervised data, by aligning word embeddings trained on monolingual data. These recent advances are based on adversarial training to learn the mapping between the two embeddings. In this paper, we propose to use an alternative formulation, based on the joint estimation of an orthogonal matrix and a permutation matrix. While this problem is not convex, we propose to initialize our optimization algorithm by using a convex relaxation, traditionally considered for the graph isomorphism problem. We propose a stochastic algorithm to minimize our cost function on large scale problems. Finally, we evaluate our method on the problem of unsupervised word translation, by aligning word embeddings trained on monolingual data. On this task, our method obtains state of the art results, while requiring less computational resources than competing approaches.

The Wasserstein distances are a set of metrics on probability distributions supported on $\mathbb{R}^d$ with applications throughout statistics and machine learning. Often, such distances are used in the context of variational problems, in which the statistician employs in place of an unknown measure a proxy constructed on the basis of independent samples. This raises the basic question of how well measures can be approximated in Wasserstein distance. While it is known that an empirical measure comprising i.i.d. samples is rate-optimal for general measures, no improved results were known for measures possessing smooth densities. We prove the first minimax rates for estimation of smooth densities for general Wasserstein distances, thereby showing how the curse of dimensionality can be alleviated for sufficiently regular measures. We also show how to construct discretely supported measures, suitable for computational purposes, which enjoy improved rates. Our approach is based on novel bounds between the Wasserstein distances and suitable Besov norms, which may be of independent interest.

We consider the problem of bandit optimization, inspired by stochastic optimization and online learning problems with bandit feedback. In this problem, the objective is to minimize a global loss function of all the actions, not necessarily a cumulative loss. This framework allows us to study a very general class of problems, with applications in statistics, machine learning, and other fields. To solve this problem, we analyze the Upper-Confidence Frank-Wolfe algorithm, inspired by techniques for bandits and convex optimization. We give theoretical guarantees for the performance of this algorithm over various classes of functions, and discuss the optimality of these results.

The restricted isometry property (RIP) for design matrices gives guarantees for optimal recovery in sparse linear models. It is of high interest in compressed sensing and statistical learning. This property is particularly important for computationally efficient recovery methods. As a consequence, even though it is in general NP-hard to check that RIP holds, there have been substantial efforts to find tractable proxies for it. These would allow the construction of RIP matrices and the polynomial-time verification of RIP given an arbitrary matrix. We consider the framework of average-case certifiers, that never wrongly declare that a matrix is RIP, while being often correct for random instances. While there are such functions which are tractable in a suboptimal parameter regime, we show that this is a computationally hard task in any better regime. Our results are based on a new, weaker assumption on the problem of detecting dense subgraphs.

Statistical estimation in many contemporary settings involves the acquisition, analysis, and aggregation of data sets from multiple sources, which can have significant differences in character and in value. Due to these variations, the effectiveness of employing a given resource, e.g., a sensing device or computing power, for gathering or processing data from a particular source depends on the nature of that source. As a result, the appropriate division and assignment of a collection of resources to a set of data sources can substantially impact the overall performance of an inferential strategy. In this expository article, we adopt a general view of the notion of a resource and its effect on the quality of a data source, and we describe a framework for the allocation of a given set of resources to a collection of sources in order to optimize a specified metric of statistical efficiency. We discuss several stylized examples involving inferential tasks such as parameter estimation and hypothesis testing based on heterogeneous data sources, in which optimal allocations can be computed either in closed form or via efficient numerical procedures based on convex optimization. This work is an inferential analog of the literature in information theory on allocating power across communications channels of variable quality in order to optimize for total throughput.

In the context of sparse principal component detection, we bring evidence towards the existence of a statistical price to pay for computational efficiency. We measure the performance of a test by the smallest signal strength that it can detect and we propose a computationally efficient method based on semidefinite programming. We also prove that the statistical performance of this test cannot be strictly improved by any computationally efficient method. Our results can be viewed as complexity theoretic lower bounds conditionally on the assumptions that some instances of the planted clique problem cannot be solved in randomized polynomial time.