Subgraph GNNs are provably expressive neural architectures that learn graph representations from sets of subgraphs. Unfortunately, their applicability is hampered by the computational complexity associated with performing message passing on many subgraphs. In this paper, we consider the problem of learning to select a small subset of the large set of possible subgraphs in a data-driven fashion. We first motivate the problem by proving that there are families of WL-indistinguishable graphs for which there exist efficient subgraph selection policies: small subsets of subgraphs that can already identify all the graphs within the family. We then propose a new approach, called _Policy-Learn_, that learns how to select subgraphs in an iterative manner. We prove that, unlike popular random policies and prior work addressing the same problem, our architecture is able to learn the efficient policies mentioned above. Our experimental results demonstrate that _Policy-Learn_ outperforms existing baselines across a wide range of datasets.

Training agents to control a dynamic environment is a fundamental task in AI. In many environments, the dynamics can be summarized by a small set of events that capture the semantic behavior of the system. Typically, these events form chains or cascades. We often wish to change the system behavior using a single intervention that propagates through the cascade. For instance, one may trigger a biochemical cascade to switch the state of a cell or, in logistics, reroute a truck to meet an unexpected, urgent delivery. We introduce a new supervised learning setup called Cascade. An agent observes a system with known dynamics evolving from some initial state. The agent is given a structured semantic instruction and needs to make an intervention that triggers a cascade of events, such that the system reaches an alternative (counterfactual) behavior. We provide a test-bed for this problem, consisting of physical objects. We combine semantic tree search with an event-driven forward model and devise an algorithm that learns to efficiently search in exponentially large semantic trees. We demonstrate that our approach learns to follow instructions to intervene in new complex scenes. When provided with an observed cascade of events, it can also reason about alternative outcomes.

A major challenge of reinforcement learning (RL) in real-world applications is the variation between environments, tasks or clients. Meta-RL (MRL) addresses this issue by learning a meta-policy that adapts to new tasks. Standard MRL methods optimize the average return over tasks, but often suffer from poor results in tasks of high risk or difficulty. This limits system reliability since test tasks are not known in advance. In this work, we define a robust MRL objective with a controlled robustness level. Optimization of analogous robust objectives in RL is known to lead to both **biased gradients** and **data inefficiency**. We prove that the gradient bias disappears in our proposed MRL framework. The data inefficiency is addressed via the novel Robust Meta RL algorithm (RoML). RoML is a meta-algorithm that generates a robust version of any given MRL algorithm, by identifying and over-sampling harder tasks throughout training. We demonstrate that RoML achieves robust returns on multiple navigation and continuous control benchmarks.

Quantum Computing (QC) stands to revolutionize computing, but is currently still limited. To develop and test quantum algorithms today, quantum circuits are often simulated on classical computers. Simulating a complex quantum circuit requires computing the contraction of a large network of tensors. The order (path) of contraction can have a drastic effect on the computing cost, but finding an efficient order is a challenging combinatorial optimization problem. We propose a Reinforcement Learning (RL) approach combined with Graph Neural Networks (GNN) to address the contraction ordering problem. The problem is extremely challenging due to the huge search space, the heavy-tailed reward distribution, and the challenging credit assignment. We show how a carefully implemented RL-agent that uses a GNN as the basic policy construct can address these challenges and obtain significant improvements over state-of-the-art techniques in three varieties of circuits, including the largest scale networks used in contemporary QC.

We consider the problem of controlling a partially-observed dynamic process on a graph by a limited number of interventions. This problem naturally arises in contexts such as scheduling virus tests to curb an epidemic; targeted marketing in order to promote a product; and manually inspecting posts to detect fake news spreading on social networks. We formulate this setup as a sequential decision problem over a temporal graph process. In face of an exponential state space, combinatorial action space and partial observability, we design a novel tractable scheme to control dynamical processes on temporal graphs. We successfully apply our approach to two popular problems that fall into our framework: prioritizing which nodes should be tested in order to curb the spread of an epidemic, and influence maximization on a graph.

Graph neural networks (GNNs) can process graphs of different sizes, but their ability to generalize across sizes, specifically from small to large graphs, is still not well understood. In this paper, we identify an important type of data where generalization from small to large graphs is challenging: graph distributions for which the local structure depends on the graph size. This effect occurs in multiple important graph learning domains, including social and biological networks. We first prove that when there is a difference between the local structures, GNNs are not guaranteed to generalize across sizes: there are "bad" global minima that do well on small graphs but fail on large graphs. We then study the size-generalization problem empirically and demonstrate that when there is a discrepancy in local structure, GNNs tend to converge to non-generalizing solutions. Finally, we suggest two approaches for improving size generalization, motivated by our findings. Notably, we propose a novel Self-Supervised Learning (SSL) task aimed at learning meaningful representations of local structures that appear in large graphs. Our SSL task improves classification accuracy on several popular datasets.

People can learn new visual concepts without any samples, from information given by language or by deductive reasoning. For instance, people can use elimination to infer the meaning of novel labels from their context. While recognizing novel concepts was intensively studied in zero-shot learning with semantic descriptions, training models to learn by elimination is much less studied. Here we describe the first approach to train an agent to reason-by-elimination, by providing instructions that contain both familiar concepts and unfamiliar ones (“pick the red box and the green wambim”). In our framework, the agent combines a perception module with a reasoning module that includes internal memory. It uses reinforcement learning to construct a reasoning policy that, by considering all available items in a room, can make a correct inference even for never-seen objects or concepts. Furthermore, it can then perform one-shot learning and use newly learned concepts for inferring additional novel concepts. We evaluate this approach in a new set of environments, showing that agents successfully learn to reason by elimination, and can also learn novel concepts and use them for further reasoning. This approach paves the way to handle open-world environments by extending the abundant supervised learning approaches with reasoning frameworks that can handle novel concepts.

We establish a network formation game for the Internet's autonomous system (AS) interconnection topology. The game includes different types of players, accounting for the heterogeneity of ASs in the Internet. In this game, the utility of a player depends on the network structure, e.g., the distances between nodes and the cost of links. Our model is versatile and can accommodate various configurations: whether monetary transfers are allowed, whether survivability requirements are imposed or not, and if so, whether failures are frequent or rare. We analyze static properties of the game as well as its dynamic evolution. We provide a dynamic analysis of topological quantities, and explain the prevalence of some “network motifs” in the Internet connectivity graph. We assess our predictions with real-world data.

Multiple Kernel Learning (MKL) methods are known for their effectiveness in solving classification and regression problems involving multi-modal data. Many MKL approaches use linear combination of base kernels, resulting in somewhat limited feature representations. Several non-linear MKL formulations were proposed recently. They provide much higher dimensional feature spaces, and, therefore, richer representations. However, these methods often lead to non-convex optimization and to intractable number of optimization parameters. In this paper, we propose a new non-linear MKL method that utilizes nuclear norm regularization and leads to convex optimization problem. The proposed Nuclear-norm-Constrained MKL (NuC-MKL) algorithm converges faster, and requires smaller number of calls to an SVM solver, as compared to other competing methods. Moreover, the number of the model support vectors in our approach is usually much smaller, as compared to other methods. This suggests that our algorithm is more resilient to overfitting. We test our algorithm on several known benchmarks, and show that it equals or outperforms the state-of-the-art MKL methods on all these data sets.

We establish a network formation game for the Internet's Autonomous System (AS) interconnection topology. The game includes different types of players, accounting for the heterogeneity of ASs in the Internet. We incorporate reliability considerations in the player's utility function, and analyze static properties of the game as well as its dynamic evolution. We provide dynamic analysis of topological quantities, and explain the prevalence of some “network motifs” in the Internet graph. We assess our predictions with real-world data.

We consider the problem of detecting an epidemic in a population where individual diagnoses are extremely noisy. We show that exclusively local, approximate knowledge of the contact network suffices to accurately detect the epidemic. The motivation for this problem is the plethora of examples (influenza strains in humans, or computer viruses in smartphones, etc.) where reliable diagnoses are scarce, but noisy data plentiful. In flu or phone-viruses, exceedingly few infected people/phones are professionally diagnosed (only a small fraction go to a doctor) but less reliable secondary signatures (e.g., people staying home, or greater-than-typical upload activity) are more readily available.

We study the structure and evolution of the Internet's Autonomous System (AS) interconnection topology as a game with heterogeneous players. In this network formation game, the utility of a player depends on the network structure, e.g., the distances between nodes and the cost of links. We analyze static properties of the game, such as the prices of anarchy and stability and provide explicit results concerning the generated topologies. Furthermore, we discuss dynamic aspects, demonstrating linear convergence rate and showing that only a restricted subset of equilibria is feasible under realistic dynamics. We also consider the case where utility (or monetary) transfers are allowed between the players.