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We study algorithmic applications of a natural discretization for the hard-sphere model and the Widom-Rowlinson model in a region $\mathbb{V}\subset\mathbb{R}^d$. These models are used in statistical physics to describe mixtures of one or multiple particle types subjected to hard-core interactions. For each type, particles follow a Poisson point process with a type specific activity parameter (fugacity). The Gibbs distribution is characterized by the mixture of these point processes conditioned that no two particles are closer than a type-dependent distance threshold. A key part in better understanding the Gibbs distribution is its normalizing constant, called partition function. We give sufficient conditions that the partition function of a discrete hard-core model on a geometric graph based on a point set $X \subset \mathbb{V}$ closely approximates those of such continuous models. Previously, this was only shown for the hard-sphere model on cubic regions $\mathbb{V}=[0, \ell)^d$ when $X$ is exponential in the volume of the region $\nu(\mathbb{V})$, limiting algorithmic applications. In the same setting, our refined analysis only requires a quadratic number of points, which we argue to be tight. We use our improved discretization results to approximate the partition functions of the hard-sphere model and the Widom-Rowlinson efficiently in $\nu(\mathbb{V})$. For the hard-sphere model, we obtain the first quasi-polynomial deterministic approximation algorithm for the entire fugacity regime for which, so far, only randomized approximations are known. Furthermore, we simplify a recently introduced fully polynomial randomized approximation algorithm. Similarly, we obtain the best known deterministic and randomized approximation bounds for the Widom-Rowlinson model. Moreover, we obtain approximate sampling algorithms for the respective spin systems within the same fugacity regimes.

We show $\textsf{EOPL}=\textsf{PLS}\cap\textsf{PPAD}$. Here the class $\textsf{EOPL}$ consists of all total search problems that reduce to the End-of-Potential-Line problem, which was introduced in the works by Hubacek and Yogev (SICOMP 2020) and Fearnley et al. (JCSS 2020). In particular, our result yields a new simpler proof of the breakthrough collapse $\textsf{CLS}=\textsf{PLS}\cap\textsf{PPAD}$ by Fearnley et al. (STOC 2021). We also prove a companion result $\textsf{SOPL}=\textsf{PLS}\cap\textsf{PPADS}$, where $\textsf{SOPL}$ is the class associated with the Sink-of-Potential-Line problem.

We consider a special case of bandit problems, named batched bandits, in which an agent observes batches of responses over a certain time period. Unlike previous work, we consider a practically relevant batch-centric scenario of batch learning. That is to say, we provide a policy-agnostic regret analysis and demonstrate upper and lower bounds for the regret of a candidate policy. Our main theoretical results show that the impact of batch learning can be measured proportional to the regret of online behavior. Primarily, we study two settings of the problem: instance-independent and instance-dependent. While the upper bound is the same for both settings, the worst-case lower bound is more comprehensive in the former case and more accurate in the latter one. Also, we provide a more robust result for the 2-armed bandit problem as an important insight. Finally, we demonstrate the consistency of theoretical results by conducting empirical experiments and reflect on the optimal batch size choice.

We study norm-based uniform convergence bounds for neural networks, aiming at a tight understanding of how these are affected by the architecture and type of norm constraint, for the simple class of scalar-valued one-hidden-layer networks, and inputs bounded in Euclidean norm. We begin by proving that in general, controlling the spectral norm of the hidden layer weight matrix is insufficient to get uniform convergence guarantees (independent of the network width), while a stronger Frobenius norm control is sufficient, extending and improving on previous work. Motivated by the proof constructions, we identify and analyze two important settings where a mere spectral norm control turns out to be sufficient: First, when the network's activation functions are sufficiently smooth (with the result extending to deeper networks); and second, for certain types of convolutional networks. In the latter setting, we study how the sample complexity is additionally affected by parameters such as the amount of overlap between patches and the overall number of patches.

The aim of this work is to devise and analyse an accurate numerical scheme to solve Erd\'elyi-Kober fractional diffusion equation. This solution can be thought as the marginal pdf of the stochastic process called the generalized grey Brownian motion (ggBm). The ggBm includes some well-known stochastic processes: Brownian motion, fractional Brownian motion and grey Brownian motion. To obtain convergent numerical scheme we transform the fractional diffusion equation into its weak form and apply the discretization of the Erd\'elyi-Kober fractional derivative. We prove the stability of the solution of the semi-discrete problem and its convergence to the exact solution. Due to the singular in time term appearing in the main equation the proposed method converges slower than first order. Finally, we provide the numerical analysis of the full-discrete problem using orthogonal expansion in terms of Hermite functions.

There is a growing interest in the decentralized optimization framework that goes under the name of Federated Learning (FL). In particular, much attention is being turned to FL scenarios where the network is strongly heterogeneous in terms of communication resources (e.g., bandwidth) and data distribution. In these cases, communication between local machines (agents) and the central server (Master) is a main consideration. In this work, we present an original communication-constrained Newton-type (NT) algorithm designed to accelerate FL in such heterogeneous scenarios. The algorithm is by design robust to non i.i.d. data distributions, handles heterogeneity of agents' communication resources (CRs), only requires sporadic Hessian computations, and achieves super-linear convergence. This is possible thanks to an incremental strategy, based on a singular value decomposition (SVD) of the local Hessian matrices, which exploits (possibly) outdated second-order information. The proposed solution is thoroughly validated on real datasets by assessing (i) the number of communication rounds required for convergence, (ii) the overall amount of data transmitted and (iii) the number of local Hessian computations required. For all these metrics, the proposed approach shows superior performance against state-of-the art techniques like GIANT and FedNL.

Measures of similarity (or dissimilarity) are a key ingredient to many machine learning algorithms. We introduce DID, a pairwise dissimilarity measure applicable to a wide range of data spaces, which leverages the data's internal structure to be invariant to diffeomorphisms. We prove that DID enjoys properties which make it relevant for theoretical study and practical use. By representing each datum as a function, DID is defined as the solution to an optimization problem in a Reproducing Kernel Hilbert Space and can be expressed in closed-form. In practice, it can be efficiently approximated via Nystr\"om sampling. Empirical experiments support the merits of DID.

Reinforcement learning with function approximation has recently achieved tremendous results in applications with large state spaces. This empirical success has motivated a growing body of theoretical work proposing necessary and sufficient conditions under which efficient reinforcement learning is possible. From this line of work, a remarkably simple minimal sufficient condition has emerged for sample efficient reinforcement learning: MDPs with optimal value function $V^*$ and $Q^*$ linear in some known low-dimensional features. In this setting, recent works have designed sample efficient algorithms which require a number of samples polynomial in the feature dimension and independent of the size of state space. They however leave finding computationally efficient algorithms as future work and this is considered a major open problem in the community. In this work, we make progress on this open problem by presenting the first computational lower bound for RL with linear function approximation: unless NP=RP, no randomized polynomial time algorithm exists for deterministic transition MDPs with a constant number of actions and linear optimal value functions. To prove this, we show a reduction from Unique-Sat, where we convert a CNF formula into an MDP with deterministic transitions, constant number of actions and low dimensional linear optimal value functions. This result also exhibits the first computational-statistical gap in reinforcement learning with linear function approximation, as the underlying statistical problem is information-theoretically solvable with a polynomial number of queries, but no computationally efficient algorithm exists unless NP=RP. Finally, we also prove a quasi-polynomial time lower bound under the Randomized Exponential Time Hypothesis.

It was previously shown by Davis and Drusvyatskiy that every Clarke critical point of a generic, semialgebraic (and more generally definable in an o-minimal structure), weakly convex function is lying on an active manifold and is either a local minimum or an active strict saddle. In the first part of this work, we show that when the weak convexity assumption fails a third type of point appears: a sharply repulsive critical point. Moreover, we show that the corresponding active manifolds satisfy the Verdier and the angle conditions which were introduced by us in our previous work. In the second part of this work, we show that, under a density-like assumption on the perturbation sequence, the stochastic subgradient descent (SGD) avoids sharply repulsive critical points with probability one. We show that such a density-like assumption could be obtained upon adding a small random perturbation (e.g. a nondegenerate Gaussian) at each iteration of the algorithm. These results, combined with our previous work on the avoidance of active strict saddles, show that the SGD on a generic definable (e.g. semialgebraic) function converges to a local minimum.

Deep learning is the mainstream technique for many machine learning tasks, including image recognition, machine translation, speech recognition, and so on. It has outperformed conventional methods in various fields and achieved great successes. Unfortunately, the understanding on how it works remains unclear. It has the central importance to lay down the theoretic foundation for deep learning. In this work, we give a geometric view to understand deep learning: we show that the fundamental principle attributing to the success is the manifold structure in data, namely natural high dimensional data concentrates close to a low-dimensional manifold, deep learning learns the manifold and the probability distribution on it. We further introduce the concepts of rectified linear complexity for deep neural network measuring its learning capability, rectified linear complexity of an embedding manifold describing the difficulty to be learned. Then we show for any deep neural network with fixed architecture, there exists a manifold that cannot be learned by the network. Finally, we propose to apply optimal mass transportation theory to control the probability distribution in the latent space.