In this work, we consider a fundamental task in quantum many-body physics - finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value of sums of geometrically local observables by learning from data. For short-range gapped Hamiltonians, a sample complexity that is logarithmic in the number of qubits and quasipolynomial in the error was obtained. Here we extend these results beyond the local requirements on both Hamiltonians and observables, motivated by the relevance of long-range interactions in molecular and atomic systems. For interactions decaying as a power law with exponent greater than twice the dimension of the system, we recover the same efficient logarithmic scaling with respect to the number of qubits, but the dependence on the error worsens to exponential. Further, we show that learning algorithms equivariant under the automorphism group of the interaction hypergraph achieve a sample complexity reduction, leading in particular to a constant number of samples for learning sums of local observables in systems with periodic boundary conditions. We demonstrate the efficient scaling in practice by learning from DMRG simulations of $1$D long-range and disordered systems with up to $128$ qubits. Finally, we provide an analysis of the concentration of expectation values of global observables stemming from central limit theorem, resulting in increased prediction accuracy.
In this work, we investigate an intriguing and prevalent phenomenon of diffusion models which we term as "consistent model reproducibility": given the same starting noise input and a deterministic sampler, different diffusion models often yield remarkably similar outputs. We confirm this phenomenon through comprehensive experiments, implying that different diffusion models consistently reach the same data distribution and scoring function regardless of diffusion model frameworks, model architectures, or training procedures. More strikingly, our further investigation implies that diffusion models are learning distinct distributions affected by the training data size. This is supported by the fact that the model reproducibility manifests in two distinct training regimes: (i) "memorization regime", where the diffusion model overfits to the training data distribution, and (ii) "generalization regime", where the model learns the underlying data distribution. Our study also finds that this valuable property generalizes to many variants of diffusion models, including those for conditional use, solving inverse problems, and model fine-tuning. Finally, our work raises numerous intriguing theoretical questions for future investigation and highlights practical implications regarding training efficiency, model privacy, and the controlled generation of diffusion models.
In this work, we investigate the interplay between memorization and learning in the context of \emph{stochastic convex optimization} (SCO). We define memorization via the information a learning algorithm reveals about its training data points. We then quantify this information using the framework of conditional mutual information (CMI) proposed by Steinke and Zakynthinou (2020). Our main result is a precise characterization of the tradeoff between the accuracy of a learning algorithm and its CMI, answering an open question posed by Livni (2023). We show that, in the $L^2$ Lipschitz--bounded setting and under strong convexity, every learner with an excess error $\varepsilon$ has CMI bounded below by $\Omega(1/\varepsilon^2)$ and $\Omega(1/\varepsilon)$, respectively. We further demonstrate the essential role of memorization in learning problems in SCO by designing an adversary capable of accurately identifying a significant fraction of the training samples in specific SCO problems. Finally, we enumerate several implications of our results, such as a limitation of generalization bounds based on CMI and the incompressibility of samples in SCO problems.
Modern policy optimization methods in reinforcement learning, such as TRPO and PPO, owe their success to the use of parameterized policies. However, while theoretical guarantees have been established for this class of algorithms, especially in the tabular setting, the use of general parameterization schemes remains mostly unjustified. In this work, we introduce a novel framework for policy optimization based on mirror descent that naturally accommodates general parameterizations. The policy class induced by our scheme recovers known classes, e.g., softmax, and generates new ones depending on the choice of mirror map. Using our framework, we obtain the first result that guarantees linear convergence for a policy-gradient-based method involving general parameterization. To demonstrate the ability of our framework to accommodate general parameterization schemes, we provide its sample complexity when using shallow neural networks, show that it represents an improvement upon the previous best results, and empirically validate the effectiveness of our theoretical claims on classic control tasks.
Synthesizing inductive loop invariants is fundamental to automating program verification. In this work, we observe that Large Language Models (such as gpt-3.5 or gpt-4) are capable of synthesizing loop invariants for a class of programs in a 0-shot setting, yet require several samples to generate the correct invariants. This can lead to a large number of calls to a program verifier to establish an invariant. To address this issue, we propose a {\it re-ranking} approach for the generated results of LLMs. We have designed a ranker that can distinguish between correct inductive invariants and incorrect attempts based on the problem definition. The ranker is optimized as a contrastive ranker. Experimental results demonstrate that this re-ranking mechanism significantly improves the ranking of correct invariants among the generated candidates, leading to a notable reduction in the number of calls to a verifier. The source code and the experimental data for this paper are available in \url{//github.com/microsoft/NeuralInvariantRanker}.
In machine learning and neural network optimization, algorithms like incremental gradient, and shuffle SGD are popular due to minimizing the number of cache misses and good practical convergence behavior. However, their optimization properties in theory, especially for non-convex smooth functions, remain incompletely explored. This paper delves into the convergence properties of SGD algorithms with arbitrary data ordering, within a broad framework for non-convex smooth functions. Our findings show enhanced convergence guarantees for incremental gradient and single shuffle SGD. Particularly if $n$ is the training set size, we improve $n$ times the optimization term of convergence guarantee to reach accuracy $\varepsilon$ from $O(n / \varepsilon)$ to $O(1 / \varepsilon)$.
In this study, we introduce BirdNeRF, an adaptation of Neural Radiance Fields (NeRF) designed specifically for reconstructing large-scale scenes using aerial imagery. Unlike previous research focused on small-scale and object-centric NeRF reconstruction, our approach addresses multiple challenges, including (1) Addressing the issue of slow training and rendering associated with large models. (2) Meeting the computational demands necessitated by modeling a substantial number of images, requiring extensive resources such as high-performance GPUs. (3) Overcoming significant artifacts and low visual fidelity commonly observed in large-scale reconstruction tasks due to limited model capacity. Specifically, we present a novel bird-view pose-based spatial decomposition algorithm that decomposes a large aerial image set into multiple small sets with appropriately sized overlaps, allowing us to train individual NeRFs of sub-scene. This decomposition approach not only decouples rendering time from the scene size but also enables rendering to scale seamlessly to arbitrarily large environments. Moreover, it allows for per-block updates of the environment, enhancing the flexibility and adaptability of the reconstruction process. Additionally, we propose a projection-guided novel view re-rendering strategy, which aids in effectively utilizing the independently trained sub-scenes to generate superior rendering results. We evaluate our approach on existing datasets as well as against our own drone footage, improving reconstruction speed by 10x over classical photogrammetry software and 50x over state-of-the-art large-scale NeRF solution, on a single GPU with similar rendering quality.
Human-in-the-loop aims to train an accurate prediction model with minimum cost by integrating human knowledge and experience. Humans can provide training data for machine learning applications and directly accomplish some tasks that are hard for computers in the pipeline with the help of machine-based approaches. In this paper, we survey existing works on human-in-the-loop from a data perspective and classify them into three categories with a progressive relationship: (1) the work of improving model performance from data processing, (2) the work of improving model performance through interventional model training, and (3) the design of the system independent human-in-the-loop. Using the above categorization, we summarize major approaches in the field, along with their technical strengths/ weaknesses, we have simple classification and discussion in natural language processing, computer vision, and others. Besides, we provide some open challenges and opportunities. This survey intends to provide a high-level summarization for human-in-the-loop and motivates interested readers to consider approaches for designing effective human-in-the-loop solutions.
Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.
This work considers the question of how convenient access to copious data impacts our ability to learn causal effects and relations. In what ways is learning causality in the era of big data different from -- or the same as -- the traditional one? To answer this question, this survey provides a comprehensive and structured review of both traditional and frontier methods in learning causality and relations along with the connections between causality and machine learning. This work points out on a case-by-case basis how big data facilitates, complicates, or motivates each approach.
Machine learning techniques have deeply rooted in our everyday life. However, since it is knowledge- and labor-intensive to pursue good learning performance, human experts are heavily involved in every aspect of machine learning. In order to make machine learning techniques easier to apply and reduce the demand for experienced human experts, automated machine learning (AutoML) has emerged as a hot topic with both industrial and academic interest. In this paper, we provide an up to date survey on AutoML. First, we introduce and define the AutoML problem, with inspiration from both realms of automation and machine learning. Then, we propose a general AutoML framework that not only covers most existing approaches to date but also can guide the design for new methods. Subsequently, we categorize and review the existing works from two aspects, i.e., the problem setup and the employed techniques. Finally, we provide a detailed analysis of AutoML approaches and explain the reasons underneath their successful applications. We hope this survey can serve as not only an insightful guideline for AutoML beginners but also an inspiration for future research.