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Classical simulations of quantum circuits are essential for verifying and benchmarking quantum algorithms, particularly for large circuits, where computational demands increase exponentially with the number of qubits. Among available methods, the classical simulation of quantum circuits inspired by density functional theory -- the so-called QC-DFT method, shows promise for large circuit simulations as it approximates the quantum circuits using single-qubit reduced density matrices to model multi-qubit systems. However, the QC-DFT method performs very poorly when dealing with multi-qubit gates. In this work, we introduce a novel CNOT "functional" that leverages neural networks to generate unitary transformations, effectively mitigating the simulation errors observed in the original QC-DFT method. For random circuit simulations, our modified QC-DFT enables efficient computation of single-qubit marginal measurement probabilities, or single-qubit probability (SQPs), and achieves lower SQP errors and higher fidelities than the original QC-DFT method. Despite some limitations in capturing full entanglement and joint probability distributions, we find potential applications of SQPs in simulating Shor's and Grover's algorithms for specific solution classes. These findings advance the capabilities of classical simulations for some quantum problems and provide insights into managing entanglement and gate errors in practical quantum computing.

Extracting time-varying latent variables from computational cognitive models is a key step in model-based neural analysis, which aims to understand the neural correlates of cognitive processes. However, existing methods only allow researchers to infer latent variables that explain subjects' behavior in a relatively small class of cognitive models. For example, a broad class of relevant cognitive models with analytically intractable likelihood is currently out of reach from standard techniques, based on Maximum a Posteriori parameter estimation. Here, we present an approach that extends neural Bayes estimation to learn a direct mapping between experimental data and the targeted latent variable space using recurrent neural networks and simulated datasets. We show that our approach achieves competitive performance in inferring latent variable sequences in both tractable and intractable models. Furthermore, the approach is generalizable across different computational models and is adaptable for both continuous and discrete latent spaces. We then demonstrate its applicability in real world datasets. Our work underscores that combining recurrent neural networks and simulation-based inference to identify latent variable sequences can enable researchers to access a wider class of cognitive models for model-based neural analyses, and thus test a broader set of theories.

Let $G$ be a graph of a network system with vertices, $V(G)$, representing physical locations and edges, $E(G)$, representing informational connectivity. A \emph{locating-dominating (LD)} set $S \subseteq V(G)$ is a subset of vertices representing detectors capable of sensing an "intruder" at precisely their location or somewhere in their open-neighborhood -- an LD set must be capable of locating an intruder anywhere in the graph. We explore three types of fault-tolerant LD sets: \emph{redundant LD} sets, which allow a detector to be removed, \emph{error-detecting LD} sets, which allow at most one false negative, and \emph{error-correcting LD} sets, which allow at most one error (false positive or negative). In particular, we determine lower and upper bounds for the minimum density of these three fault-tolerant locating-dominating sets in the \emph{infinite king grid}.

We propose a method for estimating a log-concave density on $\mathbb R^d$ from samples, under the assumption that there exists an orthogonal transformation that makes the components of the random vector independent. While log-concave density estimation is hard both computationally and statistically, the independent components assumption alleviates both issues, while still maintaining a large non-parametric class. We prove that under mild conditions, at most $\tilde{\mathcal{O}}(\epsilon^{-4})$ samples (suppressing constants and log factors) suffice for our proposed estimator to be within $\epsilon$ of the original density in squared Hellinger distance. On the computational front, while the usual log-concave maximum likelihood estimate can be obtained via a finite-dimensional convex program, it is slow to compute -- especially in higher dimensions. We demonstrate through numerical experiments that our estimator can be computed efficiently, making it more practical to use.

In a graph bisection problem, we are given a graph $G$ with two equally-sized unlabeled communities, and the goal is to recover the vertices in these communities. A popular heuristic, known as spectral clustering, is to output an estimated community assignment based on the eigenvector corresponding to the second smallest eigenvalue of the Laplacian of $G$. Spectral algorithms can be shown to provably recover the cluster structure for graphs generated from certain probabilistic models, such as the Stochastic Block Model (SBM). However, spectral clustering is known to be non-robust to model mis-specification. Techniques based on semidefinite programming have been shown to be more robust, but they incur significant computational overheads. In this work, we study the robustness of spectral algorithms against semirandom adversaries. Informally, a semirandom adversary is allowed to ``helpfully'' change the specification of the model in a way that is consistent with the ground-truth solution. Our semirandom adversaries in particular are allowed to add edges inside clusters or increase the probability that an edge appears inside a cluster. Semirandom adversaries are a useful tool to determine the extent to which an algorithm has overfit to statistical assumptions on the input. On the positive side, we identify classes of semirandom adversaries under which spectral bisection using the _unnormalized_ Laplacian is strongly consistent, i.e., it exactly recovers the planted partitioning. On the negative side, we show that in these classes spectral bisection with the _normalized_ Laplacian outputs a partitioning that makes a classification mistake on a constant fraction of the vertices. Finally, we demonstrate numerical experiments that complement our theoretical findings.

Given a finite set satisfying condition $\mathcal{A}$, the subset selection problem asks, how large of a subset satisfying condition $\mathcal{B}$ can we find? We make progress on three instances of subset selection problems in planar point sets. Let $n,s\in\mathbb{N}$ with $n\geq s$, and let $P\subseteq\mathbb{R}^2$ be a set of $n$ points, where at most $s$ points lie on the same line. Firstly, we select a general position subset of $P$, i.e., a subset containing no $3$ points on the same line. This problem was proposed by Erd\H{o}s under the regime when $s$ is a constant. For $s$ being non-constant, we give new lower and upper bounds on the maximum size of such a subset. In particular, we show that in the worst case such a set can have size at most $O(n/s)$ when $n^{1/3}\leq s\leq n$ and $O(n^{5/6+o(1)}/\sqrt{s})$ when $3\leq s\leq n^{1/3}$. Secondly, we select a monotone general position subset of $P$, that is, a subset in general position where the points are ordered from left to right and their $y$-coordinates are either non-decreasing or non-increasing. We present bounds on the maximum size of such a subset. In particular, when $s=\Theta(\sqrt{n})$, our upper and lower bounds differ only by a logarithmic factor. Lastly, we select a subset of $P$ with pairwise distinct slopes. This problem was initially studied by Erd\H{o}s, Graham, Ruzsa, and Taylor on the grid. We show that for $s=O(\sqrt{n})$ such a subset of size $\Omega((n/\log{s})^{1/3})$ can always be found in $P$. When $s=\Theta(\sqrt{n})$, this matches a lower bound given by Zhang on the grid. As for the upper bound, we show that in the worst case such a subset has size at most $O(\sqrt{n})$ for $2\leq s\leq n^{3/8}$ and $O((n/s)^{4/5})$ for $n^{3/8}\leq s=O(\sqrt{n})$. The proofs use a wide range of tools such as incidence geometry, probabilistic methods, the hypergraph container method, and additive combinatorics.

We present {\em generative clustering} (GC) for clustering a set of documents, $\mathrm{X}$, by using texts $\mathrm{Y}$ generated by large language models (LLMs) instead of by clustering the original documents $\mathrm{X}$. Because LLMs provide probability distributions, the similarity between two documents can be rigorously defined in an information-theoretic manner by the KL divergence. We also propose a natural, novel clustering algorithm by using importance sampling. We show that GC achieves the state-of-the-art performance, outperforming any previous clustering method often by a large margin. Furthermore, we show an application to generative document retrieval in which documents are indexed via hierarchical clustering and our method improves the retrieval accuracy.

A matrix $\Phi \in \mathbb{R}^{Q \times N}$ satisfies the restricted isometry property if $\|\Phi x\|_2^2$ is approximately equal to $\|x\|_2^2$ for all $k$-sparse vectors $x$. We give a construction of RIP matrices with the optimal $Q = O(k \log(N/k))$ rows using $O(k\log(N/k)\log(k))$ bits of randomness. The main technical ingredient is an extension of the Hanson-Wright inequality to $\epsilon$-biased distributions.

Existing work on the alignment problem has focused mainly on (1) qualitative descriptions of the alignment problem; (2) attempting to align AI actions with human interests by focusing on value specification and learning; and/or (3) focusing on a single agent or on humanity as a monolith. Recent sociotechnical approaches highlight the need to understand complex misalignment among multiple human and AI agents. We address this gap by adapting a computational social science model of human contention to the alignment problem. Our model quantifies misalignment in large, diverse agent groups with potentially conflicting goals across various problem areas. Misalignment scores in our framework depend on the observed agent population, the domain in question, and conflict between agents' weighted preferences. Through simulations, we demonstrate how our model captures intuitive aspects of misalignment across different scenarios. We then apply our model to two case studies, including an autonomous vehicle setting, showcasing its practical utility. Our approach offers enhanced explanatory power for complex sociotechnical environments and could inform the design of more aligned AI systems in real-world applications.

Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.