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The concept of Nash equilibrium enlightens the structure of rational behavior in multi-agent settings. However, the concept is as helpful as one may compute it efficiently. We introduce the Cut-and-Play, an algorithm to compute Nash equilibria for non-cooperative simultaneous games where each player's objective is linear in their variables and bilinear in the other players' variables. Using the rich theory of integer programming, we alternate between constructing (i.) increasingly tighter outer approximations of the convex hull of each player's feasible set -- by using branching and cutting plane methods -- and (ii.) increasingly better inner approximations of these hulls -- by finding extreme points and rays of the convex hulls. In particular, we prove the correctness of our algorithm when these convex hulls are polyhedra. Our algorithm allows us to leverage the mixed integer programming technology to compute equilibria for a large class of games. Further, we integrate existing cutting plane families inside the algorithm, significantly speeding up equilibria computation. We showcase a set of extensive computational results for Integer Programming Games and simultaneous games among bilevel leaders. In both cases, our framework outperforms the state-of-the-art in computing time and solution quality.

Given a graph $G$ of degree $k$ over $n$ vertices, we consider the problem of computing a near maximum cut or a near minimum bisection in polynomial time. For graphs of girth $L$, we develop a local message passing algorithm whose complexity is $O(nkL)$, and that achieves near optimal cut values among all $L$-local algorithms. Focusing on max-cut, the algorithm constructs a cut of value $nk/4+ n\mathsf{P}_\star\sqrt{k/4}+\mathsf{err}(n,k,L)$, where $\mathsf{P}_\star\approx 0.763166$ is the value of the Parisi formula from spin glass theory, and $\mathsf{err}(n,k,L)=o_n(n)+no_k(\sqrt{k})+n \sqrt{k} o_L(1)$ (subscripts indicate the asymptotic variables). Our result generalizes to locally treelike graphs, i.e., graphs whose girth becomes $L$ after removing a small fraction of vertices. Earlier work established that, for random $k$-regular graphs, the typical max-cut value is $nk/4+ n\mathsf{P}_\star\sqrt{k/4}+o_n(n)+no_k(\sqrt{k})$. Therefore our algorithm is nearly optimal on such graphs. An immediate corollary of this result is that random regular graphs have nearly minimum max-cut, and nearly maximum min-bisection among all regular locally treelike graphs. This can be viewed as a combinatorial version of the near-Ramanujan property of random regular graphs.

We consider grammar-restricted exact learning of formulas and terms in finite variable logics. We propose a novel and versatile automata-theoretic technique for solving such problems. We first show results for learning formulas that classify a set of positively- and negatively-labeled structures. We give algorithms for realizability and synthesis of such formulas along with upper and lower bounds. We also establish positive results using our technique for other logics and variants of the learning problem, including first-order logic with least fixed point definitions, higher-order logics, and synthesis of queries and terms with recursively-defined functions.

Given a graph $G = (V,E)$, a threshold function $t~ :~ V \rightarrow \mathbb{N}$ and an integer $k$, we study the Harmless Set problem, where the goal is to find a subset of vertices $S \subseteq V$ of size at least $k$ such that every vertex $v\in V$ has less than $t(v)$ neighbors in $S$. We enhance our understanding of the problem from the viewpoint of parameterized complexity. Our focus lies on parameters that measure the structural properties of the input instance. We show that the problem is W[1]-hard parameterized by a wide range of fairly restrictive structural parameters such as the feedback vertex set number, pathwidth, treedepth, and even the size of a minimum vertex deletion set into graphs of pathwidth and treedepth at most three. We also show that the Harmless Set problem with majority thresholds is W[1]-hard when parameterized by the treewidth of the input graph. We prove that the Harmless Set problem can be solved in polynomial time on graph with bounded cliquewidth. On the positive side, we obtain fixed-parameter algorithms for the problem with respect to neighbourhood diversity and twin cover. We show that the problem parameterized by the solution size is fixed parameter tractable on planar graphs. We thereby resolve two open questions stated in C. Bazgan and M. Chopin (2014) concerning the complexity of Harmless Set parameterized by the treewidth of the input graph and on planar graphs with respect to the solution size.

We study the power of quantum memory for learning properties of quantum systems and dynamics, which is of great importance in physics and chemistry. Many state-of-the-art learning algorithms require access to an additional external quantum memory. While such a quantum memory is not required a priori, in many cases, algorithms that do not utilize quantum memory require much more data than those which do. We show that this trade-off is inherent in a wide range of learning problems. Our results include the following: (1) We show that to perform shadow tomography on an $n$-qubit state rho with $M$ observables, any algorithm without quantum memory requires $\Omega(\min(M, 2^n))$ samples of rho in the worst case. Up to logarithmic factors, this matches the upper bound of [HKP20] and completely resolves an open question in [Aar18, AR19]. (2) We establish exponential separations between algorithms with and without quantum memory for purity testing, distinguishing scrambling and depolarizing evolutions, as well as uncovering symmetry in physical dynamics. Our separations improve and generalize prior work of [ACQ21] by allowing for a broader class of algorithms without quantum memory. (3) We give the first tradeoff between quantum memory and sample complexity. We prove that to estimate absolute values of all $n$-qubit Pauli observables, algorithms with $k < n$ qubits of quantum memory require at least $\Omega(2^{(n-k)/3})$ samples, but there is an algorithm using $n$-qubit quantum memory which only requires $O(n)$ samples. The separations we show are sufficiently large and could already be evident, for instance, with tens of qubits. This provides a concrete path towards demonstrating real-world advantage for learning algorithms with quantum memory.

We study the problem of learning in the stochastic shortest path (SSP) setting, where an agent seeks to minimize the expected cost accumulated before reaching a goal state. We design a novel model-based algorithm EB-SSP that carefully skews the empirical transitions and perturbs the empirical costs with an exploration bonus to guarantee both optimism and convergence of the associated value iteration scheme. We prove that EB-SSP achieves the minimax regret rate $\widetilde{O}(B_{\star} \sqrt{S A K})$, where $K$ is the number of episodes, $S$ is the number of states, $A$ is the number of actions and $B_{\star}$ bounds the expected cumulative cost of the optimal policy from any state, thus closing the gap with the lower bound. Interestingly, EB-SSP obtains this result while being parameter-free, i.e., it does not require any prior knowledge of $B_{\star}$, nor of $T_{\star}$ which bounds the expected time-to-goal of the optimal policy from any state. Furthermore, we illustrate various cases (e.g., positive costs, or general costs when an order-accurate estimate of $T_{\star}$ is available) where the regret only contains a logarithmic dependence on $T_{\star}$, thus yielding the first horizon-free regret bound beyond the finite-horizon MDP setting.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

Graph Neural Networks (GNNs) are based on repeated aggregations of information across nodes' neighbors in a graph. However, because common neighbors are shared between different nodes, this leads to repeated and inefficient computations. We propose Hierarchically Aggregated computation Graphs (HAGs), a new GNN graph representation that explicitly avoids redundancy by managing intermediate aggregation results hierarchically, eliminating repeated computations and unnecessary data transfers in GNN training and inference. We introduce an accurate cost function to quantitatively evaluate the runtime performance of different HAGs and use a novel HAG search algorithm to find optimized HAGs. Experiments show that the HAG representation significantly outperforms the standard GNN graph representation by increasing the end-to-end training throughput by up to 2.8x and reducing the aggregations and data transfers in GNN training by up to 6.3x and 5.6x, while maintaining the original model accuracy.

In this paper, from a theoretical perspective, we study how powerful graph neural networks (GNNs) can be for learning approximation algorithms for combinatorial problems. To this end, we first establish a new class of GNNs that can solve strictly a wider variety of problems than existing GNNs. Then, we bridge the gap between GNN theory and the theory of distributed local algorithms to theoretically demonstrate that the most powerful GNN can learn approximation algorithms for the minimum dominating set problem and the minimum vertex cover problem with some approximation ratios and that no GNN can perform better than with these ratios. This paper is the first to elucidate approximation ratios of GNNs for combinatorial problems. Furthermore, we prove that adding coloring or weak-coloring to each node feature improves these approximation ratios. This indicates that preprocessing and feature engineering theoretically strengthen model capabilities.

Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph representation and graph generation, most of them can not handle isolated new nodes without nontrivial modifications. The challenge arises due to the fact that learning to generate representations for nodes in observed graph relies heavily on topological features, whereas for new nodes only node attributes are available. Here we propose a unified generative graph convolutional network that learns node representations for all nodes adaptively in a generative model framework, by sampling graph generation sequences constructed from observed graph data. We optimize over a variational lower bound that consists of a graph reconstruction term and an adaptive Kullback-Leibler divergence regularization term. We demonstrate the superior performance of our approach on several benchmark citation network datasets.