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Realistic reservoir simulation is known to be prohibitively expensive in terms of computation time when increasing the accuracy of the simulation or by enlarging the model grid size. One method to address this issue is to parallelize the computation by dividing the model in several partitions and using multiple CPUs to compute the result using techniques such as MPI and multi-threading. Alternatively, GPUs are also a good candidate to accelerate the computation due to their massively parallel architecture that allows many floating point operations per second to be performed. The numerical iterative solver takes thus the most computational time and is challenging to solve efficiently due to the dependencies that exist in the model between cells. In this work, we evaluate the OPM Flow simulator and compare several state-of-the-art GPU solver libraries as well as custom developed solutions for a BiCGStab solver using an ILU0 preconditioner and benchmark their performance against the default DUNE library implementation running on multiple CPU processors using MPI. The evaluated GPU software libraries include a manual linear solver in OpenCL and the integration of several third party sparse linear algebra libraries, such as cuSparse, rocSparse, and amgcl. To perform our bench-marking, we use small, medium, and large use cases, starting with the public test case NORNE that includes approximately 50k active cells and ending with a large model that includes approximately 1 million active cells. We find that a GPU can accelerate a single dual-threaded MPI process up to 5.6 times, and that it can compare with around 8 dual-threaded MPI processes.

We propose a method for analyzing the distributed random coordinate descent algorithm for solving separable resource allocation problems in the context of an open multiagent system, where agents can be replaced during the process. In particular, we characterize the evolution of the distance to the minimizer in expectation by following a time-varying optimization approach which builds on two components. First, we establish the linear convergence of the algorithm in closed systems, in terms of the estimate towards the minimizer, for general graphs and appropriate step-size. Second, we estimate the change of the optimal solution after a replacement, in order to evaluate its effect on the distance between the current estimate and the minimizer. From these two elements, we derive stability conditions in open systems and establish the linear convergence of the algorithm towards a steady-state expected error. Our results enable to characterize the trade-off between speed of convergence and robustness to agent replacements, under the assumptions that local functions are smooth, strongly convex, and have their minimizers located in a given ball. The approach proposed in this paper can moreover be extended to other algorithms guaranteeing linear convergence in closed system.

Robotic assistance for experimental manipulation in the life sciences is expected to enable precise manipulation of valuable samples, regardless of the skill of the scientist. Experimental specimens in the life sciences are subject to individual variability and deformation, and therefore require autonomous robotic control. As an example, we are studying the installation of a cranial window in a mouse. This operation requires the removal of the skull, which is approximately 300 um thick, to cut it into a circular shape 8 mm in diameter, but the shape of the mouse skull varies depending on the strain of mouse, sex and week of age. The thickness of the skull is not uniform, with some areas being thin and others thicker. It is also difficult to ensure that the skulls of the mice are kept in the same position for each operation. It is not realistically possible to measure all these features and pre-program a robotic trajectory for individual mice. The paper therefore proposes an autonomous robotic drilling method. The proposed method consists of drilling trajectory planning and image-based task completion level recognition. The trajectory planning adjusts the z-position of the drill according to the task completion level at each discrete point, and forms the 3D drilling path via constrained cubic spline interpolation while avoiding overshoot. The task completion level recognition uses a DSSD-inspired deep learning model to estimate the task completion level of each discrete point. Since an egg has similar characteristics to a mouse skull in terms of shape, thickness and mechanical properties, removing the egg shell without damaging the membrane underneath was chosen as the simulation task. The proposed method was evaluated using a 6-DOF robotic arm holding a drill and achieved a success rate of 80% out of 20 trials.

Gradient methods are experiencing a growth in methodological and theoretical developments owing to the challenges of optimization problems arising in data science. Focusing on data science applications with expensive objective function evaluations yet inexpensive gradient function evaluations, gradient methods that never make objective function evaluations are either being rejuvenated or actively developed. However, as we show, such gradient methods are all susceptible to catastrophic divergence under realistic conditions for data science applications. In light of this, gradient methods which make use of objective function evaluations become more appealing, yet, as we show, can result in an exponential increase in objective evaluations between accepted iterates. As a result, existing gradient methods are poorly suited to the needs of optimization problems arising from data science. In this work, we address this gap by developing a generic methodology that economically uses objective function evaluations in a problem-driven manner to prevent catastrophic divergence and avoid an explosion in objective evaluations between accepted iterates. Our methodology allows for specific procedures that can make use of specific step size selection methodologies or search direction strategies, and we develop a novel step size selection methodology that is well-suited to data science applications. We show that a procedure resulting from our methodology is highly competitive with standard optimization methods on CUTEst test problems. We then show a procedure resulting from our methodology is highly favorable relative to standard optimization methods on optimization problems arising in our target data science applications. Thus, we provide a novel gradient methodology that is better suited to optimization problems arising in data science.

Many stochastic processes in the physical and biological sciences can be modelled as Brownian dynamics with multiplicative noise. However, numerical integrators for these processes can lose accuracy or even fail to converge when the diffusion term is configuration-dependent. One remedy is to construct a transform to a constant-diffusion process and sample the transformed process instead. In this work, we explain how coordinate-based and time-rescaling-based transforms can be used either individually or in combination to map a general class of variable-diffusion Brownian motion processes into constant-diffusion ones. The transforms are invertible, thus allowing recovery of the original dynamics. We motivate our methodology using examples in one dimension before then considering multivariate diffusion processes. We illustrate the benefits of the transforms through numerical simulations, demonstrating how the right combination of integrator and transform can improve computational efficiency and the order of convergence to the invariant distribution. Notably, the transforms that we derive are applicable to a class of multibody, anisotropic Stokes-Einstein diffusion that has applications in biophysical modelling.

For estimating the proportion of false null hypotheses in multiple testing, a family of estimators by Storey (2002) is widely used in the applied and statistical literature, with many methods suggested for selecting the parameter $\lambda$. Inspired by change-point concepts, our new approach to the latter problem first approximates the $p$-value plot with a piecewise linear function with a single change-point and then selects the $p$-value at the change-point location as $\lambda$. Simulations show that our method has among the smallest RMSE across various settings, and we extend it to address the estimation in cases of superuniform $p$-values. We provide asymptotic theory for our estimator, relying on the theory of quantile processes. Additionally, we propose an application in the change-point literature and illustrate it using high-dimensional CNV data.

Quantum density matrix represents all the information of the entire quantum system, and novel models of meaning employing density matrices naturally model linguistic phenomena such as hyponymy and linguistic ambiguity, among others in quantum question answering tasks. Naturally, we argue that applying the quantum density matrix into classical Question Answering (QA) tasks can show more effective performance. Specifically, we (i) design a new mechanism based on Long Short-Term Memory (LSTM) to accommodate the case when the inputs are matrixes; (ii) apply the new mechanism to QA problems with Convolutional Neural Network (CNN) and gain the LSTM-based QA model with the quantum density matrix. Experiments of our new model on TREC-QA and WIKI-QA data sets show encouraging results. Similarly, we argue that the quantum density matrix can also enhance the image feature information and the relationship between the features for the classical image classification. Thus, we (i) combine density matrices and CNN to design a new mechanism; (ii) apply the new mechanism to some representative classical image classification tasks. A series of experiments show that the application of quantum density matrix in image classification has the generalization and high efficiency on different datasets. The application of quantum density matrix both in classical question answering tasks and classical image classification tasks show more effective performance.

The central limit theorem is one of the most fundamental results in probability and has been successfully extended to locally dependent data and strongly-mixing random fields. In this paper, we establish its rate of convergence for transport distances, namely for arbitrary $p\ge1$ we obtain an upper bound for the Wasserstein-$p$ distance for locally dependent random variables and strongly mixing stationary random fields. Our proofs adapt the Stein dependency neighborhood method to the Wasserstein-$p$ distance and as a by-product we establish high-order local expansions of the Stein equation for dependent random variables. Finally, we demonstrate how our results can be used to obtain tail bounds that are asymptotically tight, and decrease polynomially fast, for the empirical average of weakly dependent random variables.

Human intelligence thrives on the concept of cognitive synergy, where collaboration and information integration among different cognitive processes yield superior outcomes compared to individual cognitive processes in isolation. Although Large Language Models (LLMs) have demonstrated promising performance as general task-solving agents, they still struggle with tasks that require intensive domain knowledge and complex reasoning. In this work, we propose Solo Performance Prompting (SPP), which transforms a single LLM into a cognitive synergist by engaging in multi-turn self-collaboration with multiple personas. A cognitive synergist refers to an intelligent agent that collaborates with multiple minds, combining their individual strengths and knowledge, to enhance problem-solving and overall performance in complex tasks. By dynamically identifying and simulating different personas based on task inputs, SPP unleashes the potential of cognitive synergy in LLMs. We have discovered that assigning multiple, fine-grained personas in LLMs elicits better problem-solving abilities compared to using a single or fixed number of personas. We evaluate SPP on three challenging tasks: Trivia Creative Writing, Codenames Collaborative, and Logic Grid Puzzle, encompassing both knowledge-intensive and reasoning-intensive types. Unlike previous works, such as Chain-of-Thought, that solely enhance the reasoning abilities in LLMs, SPP effectively elicits internal knowledge acquisition abilities, reduces hallucination, and maintains strong reasoning capabilities. Code, data, and prompts can be found at: //github.com/MikeWangWZHL/Solo-Performance-Prompting.git.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.