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Levin Tree Search (LTS) is a search algorithm that makes use of a policy (a probability distribution over actions) and comes with a theoretical guarantee on the number of expansions before reaching a goal node, depending on the quality of the policy. This guarantee can be used as a loss function, which we call the LTS loss, to optimize neural networks representing the policy (LTS+NN). In this work we show that the neural network can be substituted with parameterized context models originating from the online compression literature (LTS+CM). We show that the LTS loss is convex under this new model, which allows for using standard convex optimization tools, and obtain convergence guarantees to the optimal parameters in an online setting for a given set of solution trajectories -- guarantees that cannot be provided for neural networks. The new LTS+CM algorithm compares favorably against LTS+NN on several benchmarks: Sokoban (Boxoban), The Witness, and the 24-Sliding Tile puzzle (STP). The difference is particularly large on STP, where LTS+NN fails to solve most of the test instances while LTS+CM solves each test instance in a fraction of a second. Furthermore, we show that LTS+CM is able to learn a policy that solves the Rubik's cube in only a few hundred expansions, which considerably improves upon previous machine learning techniques.

The ability of deep neural networks to generalise well even when they interpolate their training data has been explained using various "simplicity biases". These theories postulate that neural networks avoid overfitting by first learning simple functions, say a linear classifier, before learning more complex, non-linear functions. Meanwhile, data structure is also recognised as a key ingredient for good generalisation, yet its role in simplicity biases is not yet understood. Here, we show that neural networks trained using stochastic gradient descent initially classify their inputs using lower-order input statistics, like mean and covariance, and exploit higher-order statistics only later during training. We first demonstrate this distributional simplicity bias (DSB) in a solvable model of a neural network trained on synthetic data. We empirically demonstrate DSB in a range of deep convolutional networks and visual transformers trained on CIFAR10, and show that it even holds in networks pre-trained on ImageNet. We discuss the relation of DSB to other simplicity biases and consider its implications for the principle of Gaussian universality in learning.

This paper presents a unified approach for maximizing continuous DR-submodular functions that encompasses a range of settings and oracle access types. Our approach includes a Frank-Wolfe type offline algorithm for both monotone and non-monotone functions, with different restrictions on the general convex set. We consider settings where the oracle provides access to either the gradient of the function or only the function value, and where the oracle access is either deterministic or stochastic. We determine the number of required oracle accesses in all cases. Our approach gives new/improved results for nine out of the sixteen considered cases, avoids computationally expensive projections in two cases, with the proposed framework matching performance of state-of-the-art approaches in the remaining five cases. Notably, our approach for the stochastic function value-based oracle enables the first regret bounds with bandit feedback for stochastic DR-submodular functions.

Many real-world decision-making tasks, such as safety-critical scenarios, cannot be fully described in a single-objective setting using the Markov Decision Process (MDP) framework, as they include hard constraints. These can instead be modeled with additional cost functions within the Constrained Markov Decision Process (CMDP) framework. Even though CMDPs have been extensively studied in the Reinforcement Learning literature, little attention has been given to sampling-based planning algorithms such as MCTS for solving them. Previous approaches use Monte Carlo cost estimates to avoid constraint violations. However, these suffer from high variance which results in conservative performance with respect to costs. We propose Constrained MCTS (C-MCTS), an algorithm that estimates cost using a safety critic. The safety critic training is based on Temporal Difference learning in an offline phase prior to agent deployment. This critic limits the exploration of the search tree and removes unsafe trajectories within MCTS during deployment. C-MCTS satisfies cost constraints but operates closer to the constraint boundary, achieving higher rewards compared to previous work. As a nice byproduct, the planner is more efficient requiring fewer planning steps. Most importantly, we show that under model mismatch between the planner and the real world, our approach is less susceptible to cost violations than previous work.

Due to the high communication overhead when training machine learning models in a distributed environment, modern algorithms invariably rely on lossy communication compression. However, when untreated, the errors caused by compression propagate, and can lead to severely unstable behavior, including exponential divergence. Almost a decade ago, Seide et al [2014] proposed an error feedback (EF) mechanism, which we refer to as EF14, as an immensely effective heuristic for mitigating this issue. However, despite steady algorithmic and theoretical advances in the EF field in the last decade, our understanding is far from complete. In this work we address one of the most pressing issues. In particular, in the canonical nonconvex setting, all known variants of EF rely on very large batch sizes to converge, which can be prohibitive in practice. We propose a surprisingly simple fix which removes this issue both theoretically, and in practice: the application of Polyak's momentum to the latest incarnation of EF due to Richt\'{a}rik et al. [2021] known as EF21. Our algorithm, for which we coin the name EF21-SGDM, improves the communication and sample complexities of previous error feedback algorithms under standard smoothness and bounded variance assumptions, and does not require any further strong assumptions such as bounded gradient dissimilarity. Moreover, we propose a double momentum version of our method that improves the complexities even further. Our proof seems to be novel even when compression is removed from the method, and as such, our proof technique is of independent interest in the study of nonconvex stochastic optimization enriched with Polyak's momentum.

In this work, we present how code generation techniques significantly improve the performance of the computational kernels in the HyTeG software framework. This HPC framework combines the performance and memory advantages of matrix-free multigrid solvers with the flexibility of unstructured meshes. The pystencils code generation toolbox is used to replace the original abstract C++ kernels with highly optimized loop nests. The performance of one of those kernels (the matrix-vector multiplication) is thoroughly analyzed using the Execution-Cache-Memory (ECM) performance model. We validate these predictions by measurements on the SuperMUC-NG supercomputer. The experiments show that the performance mostly matches the predictions. In cases where the prediction does not match, we discuss the discrepancies. Additionally, we conduct a node-level scaling study which shows the expected behavior for a memory-bound compute kernel.

Scientific machine learning has become an increasingly important tool in materials science and engineering. It is particularly well suited to tackle material problems involving many variables or to allow rapid construction of surrogates of material models, to name just a few. Mathematically, many problems in materials science and engineering can be cast as variational problems. However, handling of uncertainty, ever present in materials, in the context of variational formulations remains challenging for scientific machine learning. In this article, we propose a deep-learning-based numerical method for solving variational problems under uncertainty. Our approach seamlessly combines deep-learning approximation with Monte-Carlo sampling. The resulting numerical method is powerful yet remarkably simple. We assess its performance and accuracy on a number of variational problems.

Recent years have seen increasing employment of decision intelligence in electronic design automation (EDA), which aims to reduce the manual efforts and boost the design closure process in modern toolflows. However, existing approaches either require a large number of labeled data and expensive training efforts, or are limited in practical EDA toolflow integration due to computation overhead. This paper presents a generic end-to-end sequential decision making framework FlowTune for synthesis tooflow optimization, with a novel high-performance domain-specific, multi-stage multi-armed bandit (MAB) approach. This framework addresses optimization problems on Boolean optimization problems such as a) And-Inv-Graphs (# nodes), b) Conjunction Normal Form (CNF) minimization (# clauses) for Boolean Satisfiability; logic synthesis and technology mapping problems such as c) post static timing analysis (STA) delay and area optimization for standard-cell technology mapping, and d) FPGA technology mapping for 6-in LUT architectures. Moreover, we demonstrate the high extnsibility and generalizability of the proposed domain-specific MAB approach with end-to-end FPGA design flow, evaluated at post-routing stage, with two different FPGA backend tools (OpenFPGA and VPR) and two different logic synthesis representations (AIGs and MIGs). FlowTune is fully integrated with ABC [1], Yosys [2], VTR [3], LSOracle [4], OpenFPGA [5], and industrial tools, and is released publicly. The experimental results conducted on various design stages in the flow all demonstrate that our framework outperforms both hand-crafted flows [1] and ML explored flows [6], [7] in quality of results, and is orders of magnitude faster compared to ML-based approaches.

Graph machine learning has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To tackle the challenge, automated graph machine learning, which aims at discovering the best hyper-parameter and neural architecture configuration for different graph tasks/data without manual design, is gaining an increasing number of attentions from the research community. In this paper, we extensively discuss automated graph machine approaches, covering hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We briefly overview existing libraries designed for either graph machine learning or automated machine learning respectively, and further in depth introduce AutoGL, our dedicated and the world's first open-source library for automated graph machine learning. Last but not least, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive discussion of approaches, libraries as well as directions for automated graph machine learning.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.