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Viewing Transformers as interacting particle systems, we describe the geometry of learned representations when the weights are not time dependent. We show that particles, representing tokens, tend to cluster toward particular limiting objects as time tends to infinity. Cluster locations are determined by the initial tokens, confirming context-awareness of representations learned by Transformers. Using techniques from dynamical systems and partial differential equations, we show that the type of limiting object that emerges depends on the spectrum of the value matrix. Additionally, in the one-dimensional case we prove that the self-attention matrix converges to a low-rank Boolean matrix. The combination of these results mathematically confirms the empirical observation made by Vaswani et al. [VSP'17] that leaders appear in a sequence of tokens when processed by Transformers.

One of the main challenges of multi-agent learning lies in establishing convergence of the algorithms, as, in general, a collection of individual, self-serving agents is not guaranteed to converge with their joint policy, when learning concurrently. This is in stark contrast to most single-agent environments, and sets a prohibitive barrier for deployment in practical applications, as it induces uncertainty in long term behavior of the system. In this work, we apply the concept of trapping regions, known from qualitative theory of dynamical systems, to create safety sets in the joint strategy space for decentralized learning. We propose a binary partitioning algorithm for verification that candidate sets form trapping regions in systems with known learning dynamics, and a heuristic sampling algorithm for scenarios where learning dynamics are not known. We demonstrate the applications to a regularized version of Dirac Generative Adversarial Network, a four-intersection traffic control scenario run in a state of the art open-source microscopic traffic simulator SUMO, and a mathematical model of economic competition.

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem, and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using two NDP variants and an exact solver as benchmark, we show that our proposed framework can provide solutions within 5% gap of the global optimum results given less than 1% of the time required for finding the optimal results. Our framework can be utilized within an expert system for infrastructure planning to intelligently determine the best infrastructure management decisions. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we observe many interesting future directions, thus we propose a brief research agenda for this topic. The key observation inspiring influential future research was that fitness function evaluation time using the inferences made by the GNN model for the genetic algorithm was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by neural networks, and 2) can use the significantly higher computation time provided to them to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

This work concerns controlling the false discovery rate (FDR) in networks under communication constraints. We present sample-and-forward, a flexible and communication-efficient version of the Benjamini-Hochberg (BH) procedure for multihop networks with general topologies. Our method evidences that the nodes in a network do not need to communicate p-values to each other to achieve a decent statistical power under the global FDR control constraint. Consider a network with a total of $m$ p-values, our method consists of first sampling the (empirical) CDF of the p-values at each node and then forwarding $\mathcal{O}(\log m)$ bits to its neighbors. Under the same assumptions as for the original BH procedure, our method has both the provable finite-sample FDR control as well as competitive empirical detection power, even with a few samples at each node. We provide an asymptotic analysis of power under a mixture model assumption on the p-values.

In this note, we propose an approach to initialize the Iterative Closest Point (ICP) algorithm to match unlabelled point clouds related by rigid transformations. The method is based on matching the ellipsoids defined by the points' covariance matrices and then testing the various principal half-axes matchings that differ by elements of a finite reflection group. We derive bounds on the robustness of our approach to noise and numerical experiments confirm our theoretical findings.

Resource scheduling and allocation is a critical component of many high impact systems ranging from congestion control to cloud computing. Finding more optimal solutions to these problems often has significant impact on resource and time savings, reducing device wear-and-tear, and even potentially improving carbon emissions. In this paper, we focus on a specific instance of a scheduling problem, namely the memory mapping problem that occurs during compilation of machine learning programs: That is, mapping tensors to different memory layers to optimize execution time. We introduce an approach for solving the memory mapping problem using Reinforcement Learning. RL is a solution paradigm well-suited for sequential decision making problems that are amenable to planning, and combinatorial search spaces with high-dimensional data inputs. We formulate the problem as a single-player game, which we call the mallocGame, such that high-reward trajectories of the game correspond to efficient memory mappings on the target hardware. We also introduce a Reinforcement Learning agent, mallocMuZero, and show that it is capable of playing this game to discover new and improved memory mapping solutions that lead to faster execution times on real ML workloads on ML accelerators. We compare the performance of mallocMuZero to the default solver used by the Accelerated Linear Algebra (XLA) compiler on a benchmark of realistic ML workloads. In addition, we show that mallocMuZero is capable of improving the execution time of the recently published AlphaTensor matrix multiplication model.

The concept of causality plays an important role in human cognition . In the past few decades, causal inference has been well developed in many fields, such as computer science, medicine, economics, and education. With the advancement of deep learning techniques, it has been increasingly used in causal inference against counterfactual data. Typically, deep causal models map the characteristics of covariates to a representation space and then design various objective optimization functions to estimate counterfactual data unbiasedly based on the different optimization methods. This paper focuses on the survey of the deep causal models, and its core contributions are as follows: 1) we provide relevant metrics under multiple treatments and continuous-dose treatment; 2) we incorporate a comprehensive overview of deep causal models from both temporal development and method classification perspectives; 3) we assist a detailed and comprehensive classification and analysis of relevant datasets and source code.

Game theory has by now found numerous applications in various fields, including economics, industry, jurisprudence, and artificial intelligence, where each player only cares about its own interest in a noncooperative or cooperative manner, but without obvious malice to other players. However, in many practical applications, such as poker, chess, evader pursuing, drug interdiction, coast guard, cyber-security, and national defense, players often have apparently adversarial stances, that is, selfish actions of each player inevitably or intentionally inflict loss or wreak havoc on other players. Along this line, this paper provides a systematic survey on three main game models widely employed in adversarial games, i.e., zero-sum normal-form and extensive-form games, Stackelberg (security) games, zero-sum differential games, from an array of perspectives, including basic knowledge of game models, (approximate) equilibrium concepts, problem classifications, research frontiers, (approximate) optimal strategy seeking techniques, prevailing algorithms, and practical applications. Finally, promising future research directions are also discussed for relevant adversarial games.

Multimodal learning helps to comprehensively understand the world, by integrating different senses. Accordingly, multiple input modalities are expected to boost model performance, but we actually find that they are not fully exploited even when the multimodal model outperforms its uni-modal counterpart. Specifically, in this paper we point out that existing multimodal discriminative models, in which uniform objective is designed for all modalities, could remain under-optimized uni-modal representations, caused by another dominated modality in some scenarios, e.g., sound in blowing wind event, vision in drawing picture event, etc. To alleviate this optimization imbalance, we propose on-the-fly gradient modulation to adaptively control the optimization of each modality, via monitoring the discrepancy of their contribution towards the learning objective. Further, an extra Gaussian noise that changes dynamically is introduced to avoid possible generalization drop caused by gradient modulation. As a result, we achieve considerable improvement over common fusion methods on different multimodal tasks, and this simple strategy can also boost existing multimodal methods, which illustrates its efficacy and versatility. The source code is available at \url{//github.com/GeWu-Lab/OGM-GE_CVPR2022}.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.