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Kernel techniques are among the most influential approaches in data science and statistics. Under mild conditions, the reproducing kernel Hilbert space associated to a kernel is capable of encoding the independence of $M\ge 2$ random variables. Probably the most widespread independence measure relying on kernels is the so-called Hilbert-Schmidt independence criterion (HSIC; also referred to as distance covariance in the statistics literature). Despite various existing HSIC estimators designed since its introduction close to two decades ago, the fundamental question of the rate at which HSIC can be estimated is still open. In this work, we prove that the minimax optimal rate of HSIC estimation on $\mathbb R^d$ for Borel measures containing the Gaussians with continuous bounded translation-invariant characteristic kernels is $\mathcal O\!\left(n^{-1/2}\right)$. Specifically, our result implies the optimality in the minimax sense of many of the most-frequently used estimators (including the U-statistic, the V-statistic, and the Nystr\"om-based one) on $\mathbb R^d$.

Gaussian processes (GPs) are commonly used for geospatial analysis, but they suffer from high computational complexity when dealing with massive data. For instance, the log-likelihood function required in estimating the statistical model parameters for geospatial data is a computationally intensive procedure that involves computing the inverse of a covariance matrix with size n X n, where n represents the number of geographical locations. As a result, in the literature, studies have shifted towards approximation methods to handle larger values of n effectively while maintaining high accuracy. These methods encompass a range of techniques, including low-rank and sparse approximations. Vecchia approximation is one of the most promising methods to speed up evaluating the log-likelihood function. This study presents a parallel implementation of the Vecchia approximation, utilizing batched matrix computations on contemporary GPUs. The proposed implementation relies on batched linear algebra routines to efficiently execute individual conditional distributions in the Vecchia algorithm. We rely on the KBLAS linear algebra library to perform batched linear algebra operations, reducing the time to solution compared to the state-of-the-art parallel implementation of the likelihood estimation operation in the ExaGeoStat software by up to 700X, 833X, 1380X on 32GB GV100, 80GB A100, and 80GB H100 GPUs, respectively. We also successfully manage larger problem sizes on a single NVIDIA GPU, accommodating up to 1M locations with 80GB A100 and H100 GPUs while maintaining the necessary application accuracy. We further assess the accuracy performance of the implemented algorithm, identifying the optimal settings for the Vecchia approximation algorithm to preserve accuracy on two real geospatial datasets: soil moisture data in the Mississippi Basin area and wind speed data in the Middle East.

The recent advances in language-based generative models have paved the way for the orchestration of multiple generators of different artefact types (text, image, audio, etc.) into one system. Presently, many open-source pre-trained models combine text with other modalities, thus enabling shared vector embeddings to be compared across different generators. Within this context we propose a novel approach to handle multimodal creative tasks using Quality Diversity evolution. Our contribution is a variation of the MAP-Elites algorithm, MAP-Elites with Transverse Assessment (MEliTA), which is tailored for multimodal creative tasks and leverages deep learned models that assess coherence across modalities. MEliTA decouples the artefacts' modalities and promotes cross-pollination between elites. As a test bed for this algorithm, we generate text descriptions and cover images for a hypothetical video game and assign each artefact a unique modality-specific behavioural characteristic. Results indicate that MEliTA can improve text-to-image mappings within the solution space, compared to a baseline MAP-Elites algorithm that strictly treats each image-text pair as one solution. Our approach represents a significant step forward in multimodal bottom-up orchestration and lays the groundwork for more complex systems coordinating multimodal creative agents in the future.

A major threat to the peer-review systems of computer science conferences is the existence of "collusion rings" between reviewers. In such collusion rings, reviewers who have also submitted their own papers to the conference work together to manipulate the conference's paper assignment, with the aim of being assigned to review each other's papers. The most straightforward way that colluding reviewers can manipulate the paper assignment is by indicating their interest in each other's papers through strategic paper bidding. One potential approach to solve this important problem would be to detect the colluding reviewers from their manipulated bids, after which the conference can take appropriate action. While prior work has developed effective techniques to detect other kinds of fraud, no research has yet established that detecting collusion rings is even possible. In this work, we tackle the question of whether it is feasible to detect collusion rings from the paper bidding. To answer this question, we conduct empirical analysis of two realistic conference bidding datasets, including evaluations of existing algorithms for fraud detection in other applications. We find that collusion rings can achieve considerable success at manipulating the paper assignment while remaining hidden from detection: for example, in one dataset, undetected colluders are able to achieve assignment to up to 30% of the papers authored by other colluders. In addition, when 10 colluders bid on all of each other's papers, no detection algorithm outputs a group of reviewers with more than 31% overlap with the true colluders. These results suggest that collusion cannot be effectively detected from the bidding using popular existing tools, demonstrating the need to develop more complex detection algorithms as well as those that leverage additional metadata (e.g., reviewer-paper text-similarity scores).

Understanding the dimension dependency of computational complexity in high-dimensional sampling problem is a fundamental problem, both from a practical and theoretical perspective. Compared with samplers with unbiased stationary distribution, e.g., Metropolis-adjusted Langevin algorithm (MALA), biased samplers, e.g., Underdamped Langevin Dynamics (ULD), perform better in low-accuracy cases just because a lower dimension dependency in their complexities. Along this line, Freund et al. (2022) suggest that the modified Langevin algorithm with prior diffusion is able to converge dimension independently for strongly log-concave target distributions. Nonetheless, it remains open whether such property establishes for more general cases. In this paper, we investigate the prior diffusion technique for the target distributions satisfying log-Sobolev inequality (LSI), which covers a much broader class of distributions compared to the strongly log-concave ones. In particular, we prove that the modified Langevin algorithm can also obtain the dimension-independent convergence of KL divergence with different step size schedules. The core of our proof technique is a novel construction of an interpolating SDE, which significantly helps to conduct a more accurate characterization of the discrete updates of the overdamped Langevin dynamics. Our theoretical analysis demonstrates the benefits of prior diffusion for a broader class of target distributions and provides new insights into developing faster sampling algorithms.

Prognostics and Health Management (PHM) is a discipline focused on predicting the point at which systems or components will cease to perform as intended, typically measured as Remaining Useful Life (RUL). RUL serves as a vital decision-making tool for contingency planning, guiding the timing and nature of system maintenance. Historically, PHM has primarily been applied to hardware systems, with its application to software only recently explored. In a recent study we introduced a methodology and demonstrated how changes in software can impact the RUL of software. However, in practical software development, real-time performance is also influenced by various environmental attributes, including operating systems, clock speed, processor performance, RAM, machine core count and others. This research extends the analysis to assess how changes in environmental attributes, such as operating system and clock speed, affect RUL estimation in software. Findings are rigorously validated using real performance data from controlled test beds and compared with predictive model-generated data. Statistical validation, including regression analysis, supports the credibility of the results. The controlled test bed environment replicates and validates faults from real applications, ensuring a standardized assessment platform. This exploration yields actionable knowledge for software maintenance and optimization strategies, addressing a significant gap in the field of software health management.

Quantum Relative Entropy (QRE) programming is a recently popular and challenging class of convex optimization problems with significant applications in quantum computing and quantum information theory. We are interested in modern interior point (IP) methods based on optimal self-concordant barriers for the QRE cone. A range of theoretical and numerical challenges associated with such barrier functions and the QRE cones have hindered the scalability of IP methods. To address these challenges, we propose a series of numerical and linear algebraic techniques and heuristics aimed at enhancing the efficiency of gradient and Hessian computations for the self-concordant barrier function, solving linear systems, and performing matrix-vector products. We also introduce and deliberate about some interesting concepts related to QRE such as symmetric quantum relative entropy (SQRE). We also introduce a two-phase method for performing facial reduction that can significantly improve the performance of QRE programming. Our new techniques have been implemented in the latest version (DDS 2.2) of the software package DDS. In addition to handling QRE constraints, DDS accepts any combination of several other conic and non-conic convex constraints. Our comprehensive numerical experiments encompass several parts including 1) a comparison of DDS 2.2 with Hypatia for the nearest correlation matrix problem, 2) using DDS for combining QRE constraints with various other constraint types, and 3) calculating the key rate for quantum key distribution (QKD) channels and presenting results for several QKD protocols.

We examine the linear regression problem in a challenging high-dimensional setting with correlated predictors where the vector of coefficients can vary from sparse to dense. In this setting, we propose a combination of probabilistic variable screening with random projection tools as a viable approach. More specifically, we introduce a new data-driven random projection tailored to the problem at hand and derive a theoretical bound on the gain in expected prediction error over conventional random projections. The variables to enter the projection are screened by accounting for predictor correlation. To reduce the dependence on fine-tuning choices, we aggregate over an ensemble of linear models. A thresholding parameter is introduced to obtain a higher degree of sparsity. Both this parameter and the number of models in the ensemble can be chosen by cross-validation. In extensive simulations, we compare the proposed method with other random projection tools and with classical sparse and dense methods and show that it is competitive in terms of prediction across a variety of scenarios with different sparsity and predictor covariance settings. We also show that the method with cross-validation is able to rank the variables satisfactorily. Finally, we showcase the method on two real data applications.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.