Daily Papers

We propose efficient Langevin Monte Carlo algorithms for sampling distributions with nonsmooth convex composite potentials, which is the sum of a continuously differentiable function and a possibly nonsmooth function. We devise such algorithms leveraging recent advances in convex analysis and optimization methods involving Bregman divergences, namely the Bregman--Moreau envelopes and the Bregman proximity operators, and in the Langevin Monte Carlo algorithms reminiscent of mirror descent. The proposed algorithms extend existing Langevin Monte Carlo algorithms in two aspects -- the ability to sample nonsmooth distributions with mirror descent-like algorithms, and the use of the more general Bregman--Moreau envelope in place of the Moreau envelope as a smooth approximation of the nonsmooth part of the potential. A particular case of the proposed scheme is reminiscent of the Bregman proximal gradient algorithm. The efficiency of the proposed methodology is illustrated with various sampling tasks at which existing Langevin Monte Carlo methods are known to perform poorly.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

Multi-channel imaging data is a prevalent data format in scientific fields such as astronomy and biology. The structured information and the high dimensionality of these 3-D tensor data makes the analysis an intriguing but challenging topic for statisticians and practitioners. The low-rank scalar-on-tensor regression model, in particular, has received widespread attention and has been re-formulated as a tensor Gaussian Process (Tensor-GP) model with multi-linear kernel in Yu et al. (2018). In this paper, we extend the Tensor-GP model by integrating a dimensionality reduction technique, called tensor contraction, with a Tensor-GP for a scalar-on-tensor regression task with multi-channel imaging data. This is motivated by the solar flare forecasting problem with high dimensional multi-channel imaging data. We first estimate a latent, reduced-size tensor for each data tensor and then apply a multi-linear Tensor-GP on the latent tensor data for prediction. We introduce an anisotropic total-variation regularization when conducting the tensor contraction to obtain a sparse and smooth latent tensor. We then propose an alternating proximal gradient descent algorithm for estimation. We validate our approach via extensive simulation studies and applying it to the solar flare forecasting problem.

A ubiquitous feature of data of our era is their extra-large sizes and dimensions. Analyzing such high-dimensional data poses significant challenges, since the feature dimension is often much larger than the sample size. This thesis introduces robust and computationally efficient methods to address several common challenges associated with high-dimensional data. In my first manuscript, I propose a coherent approach to variable screening that accommodates nonlinear associations. I develop a novel variable screening method that transcends traditional linear assumptions by leveraging mutual information, with an intended application in neuroimaging data. This approach allows for accurate identification of important variables by capturing nonlinear as well as linear relationships between the outcome and covariates. Building on this foundation, I develop new optimization methods for sparse estimation using nonconvex penalties in my second manuscript. These methods address notable challenges in current statistical computing practices, facilitating computationally efficient and robust analyses of complex datasets. The proposed method can be applied to a general class of optimization problems. In my third manuscript, I contribute to robust modeling of high-dimensional correlated observations by developing a mixed-effects model based on Tsallis power-law entropy maximization and discussed the theoretical properties of such distribution. This model surpasses the constraints of conventional Gaussian models by accommodating a broader class of distributions with enhanced robustness to outliers. Additionally, I develop a proximal nonlinear conjugate gradient algorithm that accelerates convergence while maintaining numerical stability, along with rigorous statistical properties for the proposed framework.

Large Language Models (LLMs) can acquire extensive world knowledge through pre-training on large corpora. However, due to exposure to low-quality data, LLMs may exhibit harmful behavior without aligning with human values. The dominant approach for steering LLMs towards beneficial behavior involves Reinforcement Learning with Human Feedback (RLHF), with Proximal Policy Optimization (PPO) serving as the default RL optimizer. Despite its effectiveness, PPO has limitations when optimizing rewards trained from comparison-based loss. Primarily, PPO is not invariant to equivalent reward functions containing identical preference information due to the need to calibrate the reward scale. Additionally, PPO's necessity for token-wise updates introduces complexity in both function approximation and algorithm design compared to trajectory-wise optimization. This paper proposes a new framework, reinforcement learning with relative feedback, and a novel trajectory-wise policy gradient algorithm, Pairwise Proximal Policy Optimization (P3O) that operates directly on comparative rewards. We show theoretically that P3O is invariant to equivalent rewards and avoids the complexity of PPO. Empirical evaluations demonstrate that P3O outperforms PPO in the KL-Reward trade-off and can align with human preferences as well as or better than prior methods. In summary, this work introduces a simpler yet effective approach for aligning LLMs to human preferences through relative feedback.

Training generally capable agents that thoroughly explore their environment and learn new and diverse skills is a long-term goal of robot learning. Quality Diversity Reinforcement Learning (QD-RL) is an emerging research area that blends the best aspects of both fields -- Quality Diversity (QD) provides a principled form of exploration and produces collections of behaviorally diverse agents, while Reinforcement Learning (RL) provides a powerful performance improvement operator enabling generalization across tasks and dynamic environments. Existing QD-RL approaches have been constrained to sample efficient, deterministic off-policy RL algorithms and/or evolution strategies, and struggle with highly stochastic environments. In this work, we, for the first time, adapt on-policy RL, specifically Proximal Policy Optimization (PPO), to the Differentiable Quality Diversity (DQD) framework and propose additional improvements over prior work that enable efficient optimization and discovery of novel skills on challenging locomotion tasks. Our new algorithm, Proximal Policy Gradient Arborescence (PPGA), achieves state-of-the-art results, including a 4x improvement in best reward over baselines on the challenging humanoid domain.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

We propose a new family of policy gradient methods for reinforcement learning, which alternate between sampling data through interaction with the environment, and optimizing a "surrogate" objective function using stochastic gradient ascent. Whereas standard policy gradient methods perform one gradient update per data sample, we propose a novel objective function that enables multiple epochs of minibatch updates. The new methods, which we call proximal policy optimization (PPO), have some of the benefits of trust region policy optimization (TRPO), but they are much simpler to implement, more general, and have better sample complexity (empirically). Our experiments test PPO on a collection of benchmark tasks, including simulated robotic locomotion and Atari game playing, and we show that PPO outperforms other online policy gradient methods, and overall strikes a favorable balance between sample complexity, simplicity, and wall-time.

This paper introduces PG-Rainbow, a novel algorithm that incorporates a distributional reinforcement learning framework with a policy gradient algorithm. Existing policy gradient methods are sample inefficient and rely on the mean of returns when calculating the state-action value function, neglecting the distributional nature of returns in reinforcement learning tasks. To address this issue, we use an Implicit Quantile Network that provides the quantile information of the distribution of rewards to the critic network of the Proximal Policy Optimization algorithm. We show empirical results that through the integration of reward distribution information into the policy network, the policy agent acquires enhanced capabilities to comprehensively evaluate the consequences of potential actions in a given state, facilitating more sophisticated and informed decision-making processes. We evaluate the performance of the proposed algorithm in the Atari-2600 game suite, simulated via the Arcade Learning Environment (ALE).

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Deep reinforcement learning (DRL) has successfully solved various problems recently, typically with a unimodal policy representation. However, grasping distinguishable skills for some tasks with non-unique optima can be essential for further improving its learning efficiency and performance, which may lead to a multimodal policy represented as a mixture-of-experts (MOE). To our best knowledge, present DRL algorithms for general utility do not deploy this method as policy function approximators due to the potential challenge in its differentiability for policy learning. In this work, we propose a probabilistic mixture-of-experts (PMOE) implemented with a Gaussian mixture model (GMM) for multimodal policy, together with a novel gradient estimator for the indifferentiability problem, which can be applied in generic off-policy and on-policy DRL algorithms using stochastic policies, e.g., Soft Actor-Critic (SAC) and Proximal Policy Optimisation (PPO). Experimental results testify the advantage of our method over unimodal polices and two different MOE methods, as well as a method of option frameworks, based on the above two types of DRL algorithms, on six MuJoCo tasks. Different gradient estimations for GMM like the reparameterisation trick (Gumbel-Softmax) and the score-ratio trick are also compared with our method. We further empirically demonstrate the distinguishable primitives learned with PMOE and show the benefits of our method in terms of exploration.

Structured pruning is a commonly used technique in deploying deep neural networks (DNNs) onto resource-constrained devices. However, the existing pruning methods are usually heuristic, task-specified, and require an extra fine-tuning procedure. To overcome these limitations, we propose a framework that compresses DNNs into slimmer architectures with competitive performances and significant FLOPs reductions by Only-Train-Once (OTO). OTO contains two keys: (i) we partition the parameters of DNNs into zero-invariant groups, enabling us to prune zero groups without affecting the output; and (ii) to promote zero groups, we then formulate a structured-sparsity optimization problem and propose a novel optimization algorithm, Half-Space Stochastic Projected Gradient (HSPG), to solve it, which outperforms the standard proximal methods on group sparsity exploration and maintains comparable convergence. To demonstrate the effectiveness of OTO, we train and compress full models simultaneously from scratch without fine-tuning for inference speedup and parameter reduction, and achieve state-of-the-art results on VGG16 for CIFAR10, ResNet50 for CIFAR10 and Bert for SQuAD and competitive result on ResNet50 for ImageNet. The source code is available at https://github.com/tianyic/only_train_once.

Traditional Reinforcement Learning from Human Feedback (RLHF) often relies on reward models, frequently assuming preference structures like the Bradley-Terry model, which may not accurately capture the complexities of real human preferences (e.g., intransitivity). Nash Learning from Human Feedback (NLHF) offers a more direct alternative by framing the problem as finding a Nash equilibrium of a game defined by these preferences. In this work, we introduce Nash Mirror Prox (Nash-MP), an online NLHF algorithm that leverages the Mirror Prox optimization scheme to achieve fast and stable convergence to the Nash equilibrium. Our theoretical analysis establishes that Nash-MP exhibits last-iterate linear convergence towards the beta-regularized Nash equilibrium. Specifically, we prove that the KL-divergence to the optimal policy decreases at a rate of order (1+2beta)^{-N/2}, where N is a number of preference queries. We further demonstrate last-iterate linear convergence for the exploitability gap and uniformly for the span semi-norm of log-probabilities, with all these rates being independent of the size of the action space. Furthermore, we propose and analyze an approximate version of Nash-MP where proximal steps are estimated using stochastic policy gradients, making the algorithm closer to applications. Finally, we detail a practical implementation strategy for fine-tuning large language models and present experiments that demonstrate its competitive performance and compatibility with existing methods.

We present an algorithm for minimizing an objective with hard-to-compute gradients by using a related, easier-to-access function as a proxy. Our algorithm is based on approximate proximal point iterations on the proxy combined with relatively few stochastic gradients from the objective. When the difference between the objective and the proxy is delta-smooth, our algorithm guarantees convergence at a rate matching stochastic gradient descent on a delta-smooth objective, which can lead to substantially better sample efficiency. Our algorithm has many potential applications in machine learning, and provides a principled means of leveraging synthetic data, physics simulators, mixed public and private data, and more.