Stochastic gradient descent (SGD) is perhaps the most prevalent optimization method in modern machine learning. Contrary to the empirical practice of sampling from the datasets without replacement and with (possible) reshuffling at each epoch, the theoretical counterpart of SGD usually relies on the assumption of sampling with replacement. It is only very recently that SGD with sampling without replacement -- shuffled SGD -- has been analyzed. For convex finite sum problems with $n$ components and under the $L$-smoothness assumption for each component function, there are matching upper and lower bounds, under sufficiently small -- $\mathcal{O}(\frac{1}{nL})$ -- step sizes. Yet those bounds appear too pessimistic -- in fact, the predicted performance is generally no better than for full gradient descent -- and do not agree with the empirical observations. In this work, to narrow the gap between the theory and practice of shuffled SGD, we sharpen the focus from general finite sum problems to empirical risk minimization with linear predictors. This allows us to take a primal-dual perspective and interpret shuffled SGD as a primal-dual method with cyclic coordinate updates on the dual side. Leveraging this perspective, we prove fine-grained complexity bounds that depend on the data matrix and are never worse than what is predicted by the existing bounds. Notably, our bounds predict much faster convergence than the existing analyses -- by a factor of the order of $\sqrt{n}$ in some cases. We empirically demonstrate that on common machine learning datasets our bounds are indeed much tighter. We further extend our analysis to nonsmooth convex problems and more general finite-sum problems, with similar improvements.
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Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student $t$ mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at \url{//github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE}.
As the complexity of machine learning (ML) models increases and their application in different (and critical) domains grows, there is a strong demand for more interpretable and trustworthy ML. A direct, model-agnostic, way to interpret such models is to train surrogate models-such as rule sets and decision trees-that sufficiently approximate the original ones while being simpler and easier-to-explain. Yet, rule sets can become very lengthy, with many if-else statements, and decision tree depth grows rapidly when accurately emulating complex ML models. In such cases, both approaches can fail to meet their core goal-providing users with model interpretability. To tackle this, we propose DeforestVis, a visual analytics tool that offers summarization of the behaviour of complex ML models by providing surrogate decision stumps (one-level decision trees) generated with the Adaptive Boosting (AdaBoost) technique. DeforestVis helps users to explore the complexity versus fidelity trade-off by incrementally generating more stumps, creating attribute-based explanations with weighted stumps to justify decision making, and analysing the impact of rule overriding on training instance allocation between one or more stumps. An independent test set allows users to monitor the effectiveness of manual rule changes and form hypotheses based on case-by-case analyses. We show the applicability and usefulness of DeforestVis with two use cases and expert interviews with data analysts and model developers.
We present a scalable and effective exploration strategy based on Thompson sampling for reinforcement learning (RL). One of the key shortcomings of existing Thompson sampling algorithms is the need to perform a Gaussian approximation of the posterior distribution, which is not a good surrogate in most practical settings. We instead directly sample the Q function from its posterior distribution, by using Langevin Monte Carlo, an efficient type of Markov Chain Monte Carlo (MCMC) method. Our method only needs to perform noisy gradient descent updates to learn the exact posterior distribution of the Q function, which makes our approach easy to deploy in deep RL. We provide a rigorous theoretical analysis for the proposed method and demonstrate that, in the linear Markov decision process (linear MDP) setting, it has a regret bound of $\tilde{O}(d^{3/2}H^{3/2}\sqrt{T})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $T$ is the total number of steps. We apply this approach to deep RL, by using Adam optimizer to perform gradient updates. Our approach achieves better or similar results compared with state-of-the-art deep RL algorithms on several challenging exploration tasks from the Atari57 suite.
Combining offline and online reinforcement learning (RL) is crucial for efficient and safe learning. However, previous approaches treat offline and online learning as separate procedures, resulting in redundant designs and limited performance. We ask: Can we achieve straightforward yet effective offline and online learning without introducing extra conservatism or regularization? In this study, we propose Uni-o4, which utilizes an on-policy objective for both offline and online learning. Owning to the alignment of objectives in two phases, the RL agent can transfer between offline and online learning seamlessly. This property enhances the flexibility of the learning paradigm, allowing for arbitrary combinations of pretraining, fine-tuning, offline, and online learning. In the offline phase, specifically, Uni-o4 leverages diverse ensemble policies to address the mismatch issues between the estimated behavior policy and the offline dataset. Through a simple offline policy evaluation (OPE) approach, Uni-o4 can achieve multi-step policy improvement safely. We demonstrate that by employing the method above, the fusion of these two paradigms can yield superior offline initialization as well as stable and rapid online fine-tuning capabilities. Through real-world robot tasks, we highlight the benefits of this paradigm for rapid deployment in challenging, previously unseen real-world environments. Additionally, through comprehensive evaluations using numerous simulated benchmarks, we substantiate that our method achieves state-of-the-art performance in both offline and offline-to-online fine-tuning learning. Our website: //lei-kun.github.io/uni-o4/ .
The advent of Federated Learning (FL) as a distributed machine learning paradigm has introduced new cybersecurity challenges, notably adversarial attacks that threaten model integrity and participant privacy. This study proposes an innovative security framework inspired by Control-Flow Attestation (CFA) mechanisms, traditionally used in cybersecurity, to ensure software execution integrity. By integrating digital signatures and cryptographic hashing within the FL framework, we authenticate and verify the integrity of model updates across the network, effectively mitigating risks associated with model poisoning and adversarial interference. Our approach, novel in its application of CFA principles to FL, ensures contributions from participating nodes are authentic and untampered, thereby enhancing system resilience without compromising computational efficiency or model performance. Empirical evaluations on benchmark datasets, MNIST and CIFAR-10, demonstrate our framework's effectiveness, achieving a 100\% success rate in integrity verification and authentication and notable resilience against adversarial attacks. These results validate the proposed security enhancements and open avenues for more secure, reliable, and privacy-conscious distributed machine learning solutions. Our work bridges a critical gap between cybersecurity and distributed machine learning, offering a foundation for future advancements in secure FL.
With the breakthrough of AlphaGo, deep reinforcement learning becomes a recognized technique for solving sequential decision-making problems. Despite its reputation, data inefficiency caused by its trial and error learning mechanism makes deep reinforcement learning hard to be practical in a wide range of areas. Plenty of methods have been developed for sample efficient deep reinforcement learning, such as environment modeling, experience transfer, and distributed modifications, amongst which, distributed deep reinforcement learning has shown its potential in various applications, such as human-computer gaming, and intelligent transportation. In this paper, we conclude the state of this exciting field, by comparing the classical distributed deep reinforcement learning methods, and studying important components to achieve efficient distributed learning, covering single player single agent distributed deep reinforcement learning to the most complex multiple players multiple agents distributed deep reinforcement learning. Furthermore, we review recently released toolboxes that help to realize distributed deep reinforcement learning without many modifications of their non-distributed versions. By analyzing their strengths and weaknesses, a multi-player multi-agent distributed deep reinforcement learning toolbox is developed and released, which is further validated on Wargame, a complex environment, showing usability of the proposed toolbox for multiple players and multiple agents distributed deep reinforcement learning under complex games. Finally, we try to point out challenges and future trends, hoping this brief review can provide a guide or a spark for researchers who are interested in distributed deep reinforcement learning.
Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.
With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.
Exploration-exploitation is a powerful and practical tool in multi-agent learning (MAL), however, its effects are far from understood. To make progress in this direction, we study a smooth analogue of Q-learning. We start by showing that our learning model has strong theoretical justification as an optimal model for studying exploration-exploitation. Specifically, we prove that smooth Q-learning has bounded regret in arbitrary games for a cost model that explicitly captures the balance between game and exploration costs and that it always converges to the set of quantal-response equilibria (QRE), the standard solution concept for games under bounded rationality, in weighted potential games with heterogeneous learning agents. In our main task, we then turn to measure the effect of exploration in collective system performance. We characterize the geometry of the QRE surface in low-dimensional MAL systems and link our findings with catastrophe (bifurcation) theory. In particular, as the exploration hyperparameter evolves over-time, the system undergoes phase transitions where the number and stability of equilibria can change radically given an infinitesimal change to the exploration parameter. Based on this, we provide a formal theoretical treatment of how tuning the exploration parameter can provably lead to equilibrium selection with both positive as well as negative (and potentially unbounded) effects to system performance.
The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.
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