封闭的量子机械系统的物理学受哈密顿量的约束。但是，在大多数实际情况下，这种哈密顿量尚不清楚，最终所有的数据是从系统上的测量中获得的数据。在这项工作中，我们通过将基于机器学习的基于梯度的优化从机器学习中从张量量的网络中从机器学习中从基于梯度的优化中汇总到从基于梯度的优化的技术中汇总到从动力学数据中进行交互的多体汉密尔顿人来学习的家庭。我们的方法非常实用，实验友好且本质上可扩展，以使系统尺寸超过100次旋转。特别是，我们在综合数据上证明了算法的工作原理，即使仅限于一个简单的初始状态，少量的单量观测和时间演变为相对较短的时间。对于一维海森贝格模型的具体示例，我们的算法在系统大小和缩放的误差常数中作为数据集大小的反平方根。

从样本中学习概率分布的任务在整个自然科学中无处不在。局部量子电路的输出分布构成了一类特别有趣的分布类别，对量子优势提案和各种量子机学习算法都具有关键的重要性。在这项工作中，我们提供了局部量子电路输出分布的可学习性的广泛表征。我们的第一个结果可以深入了解这些分布的有效学习性与有效的可模拟性之间的关系。具体而言，我们证明与Clifford电路相关的密度建模问题可以有效地解决，而对于深度$ d = n^{\ omega（1）} $电路，将单个$ t $ gate注入到电路中，这使这是如此问题很难。该结果表明，有效的模拟性并不意味着有效的可学习性。我们的第二组结果提供了对量子生成建模算法的潜在和局限性的见解。我们首先证明与深度$ d = n^{\ omega（1）} $局部量子电路相关的生成建模问题对于任何学习算法，经典或量子都很难。结果，一个人不能使用量子算法来为此任务获得实际优势。然后，我们证明，对于各种最实际相关的学习算法（包括混合量词古典算法），即使是与深度$ d = \ omega（\ log（n））$ Clifford Circuits相关的生成建模问题也是如此难的。该结果对近期混合量子古典生成建模算法的适用性造成了限制。

We consider the problem of estimating a multivariate function $f_0$ of bounded variation (BV), from noisy observations $y_i = f_0(x_i) + z_i$ made at random design points $x_i \in \mathbb{R}^d$, $i=1,\ldots,n$. We study an estimator that forms the Voronoi diagram of the design points, and then solves an optimization problem that regularizes according to a certain discrete notion of total variation (TV): the sum of weighted absolute differences of parameters $\theta_i,\theta_j$ (which estimate the function values $f_0(x_i),f_0(x_j)$) at all neighboring cells $i,j$ in the Voronoi diagram. This is seen to be equivalent to a variational optimization problem that regularizes according to the usual continuum (measure-theoretic) notion of TV, once we restrict the domain to functions that are piecewise constant over the Voronoi diagram. The regression estimator under consideration hence performs (shrunken) local averaging over adaptively formed unions of Voronoi cells, and we refer to it as the Voronoigram, following the ideas in Koenker (2005), and drawing inspiration from Tukey's regressogram (Tukey, 1961). Our contributions in this paper span both the conceptual and theoretical frontiers: we discuss some of the unique properties of the Voronoigram in comparison to TV-regularized estimators that use other graph-based discretizations; we derive the asymptotic limit of the Voronoi TV functional; and we prove that the Voronoigram is minimax rate optimal (up to log factors) for estimating BV functions that are essentially bounded.

In this work, we introduce a hypergraph representation learning framework called Hypergraph Neural Networks (HNN) that jointly learns hyperedge embeddings along with a set of hyperedge-dependent embeddings for each node in the hypergraph. HNN derives multiple embeddings per node in the hypergraph where each embedding for a node is dependent on a specific hyperedge of that node. Notably, HNN is accurate, data-efficient, flexible with many interchangeable components, and useful for a wide range of hypergraph learning tasks. We evaluate the effectiveness of the HNN framework for hyperedge prediction and hypergraph node classification. We find that HNN achieves an overall mean gain of 7.72% and 11.37% across all baseline models and graphs for hyperedge prediction and hypergraph node classification, respectively.

Graph Neural Networks (GNNs) have become increasingly important in recent years due to their state-of-the-art performance on many important downstream applications. Existing GNNs have mostly focused on learning a single node representation, despite that a node often exhibits polysemous behavior in different contexts. In this work, we develop a persona-based graph neural network framework called PersonaSAGE that learns multiple persona-based embeddings for each node in the graph. Such disentangled representations are more interpretable and useful than a single embedding. Furthermore, PersonaSAGE learns the appropriate set of persona embeddings for each node in the graph, and every node can have a different number of assigned persona embeddings. The framework is flexible enough and the general design helps in the wide applicability of the learned embeddings to suit the domain. We utilize publicly available benchmark datasets to evaluate our approach and against a variety of baselines. The experiments demonstrate the effectiveness of PersonaSAGE for a variety of important tasks including link prediction where we achieve an average gain of 15% while remaining competitive for node classification. Finally, we also demonstrate the utility of PersonaSAGE with a case study for personalized recommendation of different entity types in a data management platform.

Traditionally, data analysis and theory have been viewed as separate disciplines, each feeding into fundamentally different types of models. Modern deep learning technology is beginning to unify these two disciplines and will produce a new class of predictively powerful space weather models that combine the physical insights gained by data and theory. We call on NASA to invest in the research and infrastructure necessary for the heliophysics' community to take advantage of these advances.

Learning fair graph representations for downstream applications is becoming increasingly important, but existing work has mostly focused on improving fairness at the global level by either modifying the graph structure or objective function without taking into account the local neighborhood of a node. In this work, we formally introduce the notion of neighborhood fairness and develop a computational framework for learning such locally fair embeddings. We argue that the notion of neighborhood fairness is more appropriate since GNN-based models operate at the local neighborhood level of a node. Our neighborhood fairness framework has two main components that are flexible for learning fair graph representations from arbitrary data: the first aims to construct fair neighborhoods for any arbitrary node in a graph and the second enables adaption of these fair neighborhoods to better capture certain application or data-dependent constraints, such as allowing neighborhoods to be more biased towards certain attributes or neighbors in the graph.Furthermore, while link prediction has been extensively studied, we are the first to investigate the graph representation learning task of fair link classification. We demonstrate the effectiveness of the proposed neighborhood fairness framework for a variety of graph machine learning tasks including fair link prediction, link classification, and learning fair graph embeddings. Notably, our approach achieves not only better fairness but also increases the accuracy in the majority of cases across a wide variety of graphs, problem settings, and metrics.

We introduce a language generation task grounded in a popular video game environment. KNUDGE (KNowledge Constrained User-NPC Dialogue GEneration) involves generating dialogue trees conditioned on an ontology captured in natural language passages providing quest and entity specifications. KNUDGE is constructed from side quest dialogues drawn directly from game data of Obsidian Entertainment's The Outer Worlds, leading to real-world complexities in generation: (1) dialogues are branching trees as opposed to linear chains of utterances; (2) utterances must remain faithful to the game lore--character personas, backstories, and entity relationships; and (3) a dialogue must accurately reveal new quest-related details to the human player. We report results for supervised and in-context learning techniques, finding there is significant room for future work on creating realistic game-quality dialogues.

Language modeling, a central task in natural language processing, involves estimating a probability distribution over strings. In most cases, the estimated distribution sums to 1 over all finite strings. However, in some pathological cases, probability mass can ``leak'' onto the set of infinite sequences. In order to characterize the notion of leakage more precisely, this paper offers a measure-theoretic treatment of language modeling. We prove that many popular language model families are in fact tight, meaning that they will not leak in this sense. We also generalize characterizations of tightness proposed in previous works.

We present a machine-learning framework to accurately characterize morphologies of Active Galactic Nucleus (AGN) host galaxies within $z<1$. We first use PSFGAN to decouple host galaxy light from the central point source, then we invoke the Galaxy Morphology Network (GaMorNet) to estimate whether the host galaxy is disk-dominated, bulge-dominated, or indeterminate. Using optical images from five bands of the HSC Wide Survey, we build models independently in three redshift bins: low $(0<z<0.25)$, medium $(0.25<z<0.5)$, and high $(0.5<z<1.0)$. By first training on a large number of simulated galaxies, then fine-tuning using far fewer classified real galaxies, our framework predicts the actual morphology for $\sim$ $60\%-70\%$ host galaxies from test sets, with a classification precision of $\sim$ $80\%-95\%$, depending on redshift bin. Specifically, our models achieve disk precision of $96\%/82\%/79\%$ and bulge precision of $90\%/90\%/80\%$ (for the 3 redshift bins), at thresholds corresponding to indeterminate fractions of $30\%/43\%/42\%$. The classification precision of our models has a noticeable dependency on host galaxy radius and magnitude. No strong dependency is observed on contrast ratio. Comparing classifications of real AGNs, our models agree well with traditional 2D fitting with GALFIT. The PSFGAN+GaMorNet framework does not depend on the choice of fitting functions or galaxy-related input parameters, runs orders of magnitude faster than GALFIT, and is easily generalizable via transfer learning, making it an ideal tool for studying AGN host galaxy morphology in forthcoming large imaging survey.