This paper introduces two explicit schemes to sample matrices from Gibbs distributions on $\mathcal S^{n,p}_+$, the manifold of real positive semi-definite (PSD) matrices of size $n\times n$ and rank $p$. Given an energy function $\mathcal E:\mathcal S^{n,p}_+\to \mathbb{R}$ and certain Riemannian metrics $g$ on $\mathcal S^{n,p}_+$, these schemes rely on an Euler-Maruyama discretization of the Riemannian Langevin equation (RLE) with Brownian motion on the manifold. We present numerical schemes for RLE under two fundamental metrics on $\mathcal S^{n,p}_+$: (a) the metric obtained from the embedding of $\mathcal S^{n,p}_+ \subset \mathbb{R}^{n\times n} $; and (b) the Bures-Wasserstein metric corresponding to quotient geometry. We also provide examples of energy functions with explicit Gibbs distributions that allow numerical validation of these schemes.
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Brown and Walker (1997) showed that GMRES determines a least squares solution of $ A x = b $ where $ A \in {\bf R}^{n \times n} $ without breakdown for arbitrary $ b, x_0 \in {\bf R}^n $ if and only if $A$ is range-symmetric, i.e. $ {\cal R} (A^{\rm T}) = {\cal R} (A) $, where $ A $ may be singular and $ b $ may not be in the range space ${\cal R} A)$ of $A$. In this paper, we propose applying GMRES to $ A C A^{\rm T} z = b $, where $ C \in {\bf R}^{n \times n} $ is symmetric positive definite. This determines a least squares solution $ x = CA^{\rm T} z $ of $ A x = b $ without breakdown for arbitrary (singular) matrix $A \in {\bf R}^{n \times n}$ and $ b \in {\bf R}^n $. To make the method numerically stable, we propose using the pseudoinverse with an appropriate threshold parameter to suppress the influence of tiny singular values when solving the severely ill-conditioned Hessenberg systems which arise in the Arnoldi process of GMRES when solving inconsistent range-symmetric systems. Numerical experiments show that the method taking $C$ to be the identity matrix gives the least squares solution even when $A$ is not range-symmetric, including the case when $ {\rm index}(A) >1$.
We study the existence of finite characterisations for modal formulas. A finite characterisation of a modal formula $\varphi$ is a finite collection of positive and negative examples that distinguishes $\varphi$ from every other, non-equivalent modal formula, where an example is a finite pointed Kripke structure. This definition can be restricted to specific frame classes and to fragments of the modal language: a modal fragment $L$ admits finite characterisations with respect to a frame class $F$ if every formula $\varphi\in L$ has a finite characterisation with respect to $L$ consting of examples that are based on frames in $F$. Finite characterisations are useful for illustration, interactive specification, and debugging of formal specifications, and their existence is a precondition for exact learnability with membership queries. We show that the full modal language admits finite characterisations with respect to a frame class $F$ only when the modal logic of $F$ is locally tabular. We then study which modal fragments, freely generated by some set of connectives, admit finite characterisations. Our main result is that the positive modal language without the truth-constants $\top$ and $\bot$ admits finite characterisations w.r.t. the class of all frames. This result is essentially optimal: finite characterizability fails when the language is extended with the truth constant $\top$ or $\bot$ or with all but very limited forms of negation.
Given a conjunctive query $Q$ and a database $\mathbf{D}$, a direct access to the answers of $Q$ over $\mathbf{D}$ is the operation of returning, given an index $j$, the $j^{\mathsf{th}}$ answer for some order on its answers. While this problem is $\#\mathsf{P}$-hard in general with respect to combined complexity, many conjunctive queries have an underlying structure that allows for a direct access to their answers for some lexicographical ordering that takes polylogarithmic time in the size of the database after a polynomial time precomputation. Previous work has precisely characterised the tractable classes and given fine-grained lower bounds on the precomputation time needed depending on the structure of the query. In this paper, we generalise these tractability results to the case of signed conjunctive queries, that is, conjunctive queries that may contain negative atoms. Our technique is based on a class of circuits that can represent relational data. We first show that this class supports tractable direct access after a polynomial time preprocessing. We then give bounds on the size of the circuit needed to represent the answer set of signed conjunctive queries depending on their structure. Both results combined together allow us to prove the tractability of direct access for a large class of conjunctive queries. On the one hand, we recover the known tractable classes from the literature in the case of positive conjunctive queries. On the other hand, we generalise and unify known tractability results about negative conjunctive queries -- that is, queries having only negated atoms. In particular, we show that the class of $\beta$-acyclic negative conjunctive queries and the class of bounded nest set width negative conjunctive queries admit tractable direct access.
Conformal Prediction (CP) allows to perform rigorous uncertainty quantification by constructing a prediction set $C(X)$ satisfying $\mathbb{P}(Y \in C(X))\geq 1-\alpha$ for a user-chosen $\alpha \in [0,1]$ by relying on calibration data $(X_1,Y_1),...,(X_n,Y_n)$ from $\mathbb{P}=\mathbb{P}^{X} \otimes \mathbb{P}^{Y|X}$. It is typically implicitly assumed that $\mathbb{P}^{Y|X}$ is the "true" posterior label distribution. However, in many real-world scenarios, the labels $Y_1,...,Y_n$ are obtained by aggregating expert opinions using a voting procedure, resulting in a one-hot distribution $\mathbb{P}_{vote}^{Y|X}$. For such ``voted'' labels, CP guarantees are thus w.r.t. $\mathbb{P}_{vote}=\mathbb{P}^X \otimes \mathbb{P}_{vote}^{Y|X}$ rather than the true distribution $\mathbb{P}$. In cases with unambiguous ground truth labels, the distinction between $\mathbb{P}_{vote}$ and $\mathbb{P}$ is irrelevant. However, when experts do not agree because of ambiguous labels, approximating $\mathbb{P}^{Y|X}$ with a one-hot distribution $\mathbb{P}_{vote}^{Y|X}$ ignores this uncertainty. In this paper, we propose to leverage expert opinions to approximate $\mathbb{P}^{Y|X}$ using a non-degenerate distribution $\mathbb{P}_{agg}^{Y|X}$. We develop Monte Carlo CP procedures which provide guarantees w.r.t. $\mathbb{P}_{agg}=\mathbb{P}^X \otimes \mathbb{P}_{agg}^{Y|X}$ by sampling multiple synthetic pseudo-labels from $\mathbb{P}_{agg}^{Y|X}$ for each calibration example $X_1,...,X_n$. In a case study of skin condition classification with significant disagreement among expert annotators, we show that applying CP w.r.t. $\mathbb{P}_{vote}$ under-covers expert annotations: calibrated for $72\%$ coverage, it falls short by on average $10\%$; our Monte Carlo CP closes this gap both empirically and theoretically.
Conformal inference provides a general distribution-free method to rigorously calibrate the output of any machine learning algorithm for novelty detection. While this approach has many strengths, it has the limitation of being randomized, in the sense that it may lead to different results when analyzing twice the same data, and this can hinder the interpretation of any findings. We propose to make conformal inferences more stable by leveraging suitable conformal e-values instead of p-values to quantify statistical significance. This solution allows the evidence gathered from multiple analyses of the same data to be aggregated effectively while provably controlling the false discovery rate. Further, we show that the proposed method can reduce randomness without much loss of power compared to standard conformal inference, partly thanks to an innovative way of weighting conformal e-values based on additional side information carefully extracted from the same data. Simulations with synthetic and real data confirm this solution can be effective at eliminating random noise in the inferences obtained with state-of-the-art alternative techniques, sometimes also leading to higher power.
Posterior sampling, i.e., exponential mechanism to sample from the posterior distribution, provides $\varepsilon$-pure differential privacy (DP) guarantees and does not suffer from potentially unbounded privacy breach introduced by $(\varepsilon,\delta)$-approximate DP. In practice, however, one needs to apply approximate sampling methods such as Markov chain Monte Carlo (MCMC), thus re-introducing the unappealing $\delta$-approximation error into the privacy guarantees. To bridge this gap, we propose the Approximate SAample Perturbation (abbr. ASAP) algorithm which perturbs an MCMC sample with noise proportional to its Wasserstein-infinity ($W_\infty$) distance from a reference distribution that satisfies pure DP or pure Gaussian DP (i.e., $\delta=0$). We then leverage a Metropolis-Hastings algorithm to generate the sample and prove that the algorithm converges in W$_\infty$ distance. We show that by combining our new techniques with a careful localization step, we obtain the first nearly linear-time algorithm that achieves the optimal rates in the DP-ERM problem with strongly convex and smooth losses.
This work examines the time complexity of quantum search algorithms on combinatorial $t$-designs with multiple marked elements using the continuous-time quantum walk. Through a detailed exploration of $t$-designs and their incidence matrices, we identify a subset of bipartite graphs that are conducive to success compared to random-walk-based search algorithms. These graphs have adjacency matrices with eigenvalues and eigenvectors that can be determined algebraically and are also suitable for analysis in the multiple-marked vertex scenario. We show that the continuous-time quantum walk on certain symmetric $t$-designs achieves an optimal running time of $O(\sqrt{n})$, where $n$ is the number of points and blocks, even when accounting for an arbitrary number of marked elements. Upon examining two primary configurations of marked elements distributions, we observe that the success probability is consistently $o(1)$, but it approaches 1 asymptotically in certain scenarios.
Constructing a similarity graph from a set $X$ of data points in $\mathbb{R}^d$ is the first step of many modern clustering algorithms. However, typical constructions of a similarity graph have high time complexity, and a quadratic space dependency with respect to $|X|$. We address this limitation and present a new algorithmic framework that constructs a sparse approximation of the fully connected similarity graph while preserving its cluster structure. Our presented algorithm is based on the kernel density estimation problem, and is applicable for arbitrary kernel functions. We compare our designed algorithm with the well-known implementations from the scikit-learn library and the FAISS library, and find that our method significantly outperforms the implementation from both libraries on a variety of datasets.
A code $C \subseteq \{0, 1, 2\}^n$ of length $n$ is called trifferent if for any three distinct elements of $C$ there exists a coordinate in which they all differ. By $T(n)$ we denote the maximum cardinality of trifferent codes with length. $T(5)=10$ and $T(6)=13$ were recently determined. Here we determine $T(7)=16$, $T(8)=20$, and $T(9)=27$. For the latter case $n=9$ there also exist linear codes attaining the maximum possible cardinality $27$.
We consider a pure-jump stable Cox-Ingersoll-Ross ($\alpha$-stable CIR) process driven by a non-symmetric stable L{\'e}vy process with jump activity $\alpha$ $\in$ (1, 2) and we address the joint estimation of drift, scaling and jump activity parameters from high-frequency observations of the process on a fixed time period. We first prove the existence of a consistent, rate optimal and asymptotically conditionally gaussian estimator based on an approximation of the likelihood function. Moreover, uniqueness of the drift estimators is established assuming that the scaling coefficient and the jump activity are known or consistently estimated. Next we propose easy-toimplement preliminary estimators of all parameters and we improve them by a one-step procedure.
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