Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.
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Processing 是一門開源編程語言和與之配套的集成開發環境（IDE）的名稱。Processing 在電子藝術和視覺設計社區被用來教授編程基礎，并運用于大量的新媒體和互動藝術作品中。
The Sibson and Arimoto capacity, which are based on the Sibson and Arimoto mutual information (MI) of order {\alpha}, respectively, are well-known generalizations of the channel capacity C. In this study, we derive novel alternating optimization algorithms for computing these capacities by providing new variational characterizations of the Sibson MI and Arimoto MI. Moreover, we prove that all iterative algorithms for computing these capacities are equivalent under appropriate conditions imposed on their initial distributions.
Causal effect estimation from observational data is a fundamental task in empirical sciences. It becomes particularly challenging when unobserved confounders are involved in a system. This paper focuses on front-door adjustment -- a classic technique which, using observed mediators allows to identify causal effects even in the presence of unobserved confounding. While the statistical properties of the front-door estimation are quite well understood, its algorithmic aspects remained unexplored for a long time. In 2022, Jeong, Tian, and Bareinboim presented the first polynomial-time algorithm for finding sets satisfying the front-door criterion in a given directed acyclic graph (DAG), with an $O(n^3(n+m))$ run time, where $n$ denotes the number of variables and $m$ the number of edges of the causal graph. In our work, we give the first linear-time, i.e., $O(n+m)$, algorithm for this task, which thus reaches the asymptotically optimal time complexity. This result implies an $O(n(n+m))$ delay enumeration algorithm of all front-door adjustment sets, again improving previous work by a factor of $n^3$. Moreover, we provide the first linear-time algorithm for finding a minimal front-door adjustment set. We offer implementations of our algorithms in multiple programming languages to facilitate practical usage and empirically validate their feasibility, even for large graphs.
The recent introduction of the Least-Squares Support Vector Regression (LS-SVR) algorithm for solving differential and integral equations has sparked interest. In this study, we expand the application of this algorithm to address systems of differential-algebraic equations (DAEs). Our work presents a novel approach to solving general DAEs in an operator format by establishing connections between the LS-SVR machine learning model, weighted residual methods, and Legendre orthogonal polynomials. To assess the effectiveness of our proposed method, we conduct simulations involving various DAE scenarios, such as nonlinear systems, fractional-order derivatives, integro-differential, and partial DAEs. Finally, we carry out comparisons between our proposed method and currently established state-of-the-art approaches, demonstrating its reliability and effectiveness.
The majority of the research on the quantization of Deep Neural Networks (DNNs) is focused on reducing the precision of tensors visible by high-level frameworks (e.g., weights, activations, and gradients). However, current hardware still relies on high-accuracy core operations. Most significant is the operation of accumulating products. This high-precision accumulation operation is gradually becoming the main computational bottleneck. This is because, so far, the usage of low-precision accumulators led to a significant degradation in performance. In this work, we present a simple method to train and fine-tune high-end DNNs, to allow, for the first time, utilization of cheaper, $12$-bits accumulators, with no significant degradation in accuracy. Lastly, we show that as we decrease the accumulation precision further, using fine-grained gradient approximations can improve the DNN accuracy.
Tissue segmentation is a routine preprocessing step to reduce the computational cost of whole slide image (WSI) analysis by excluding background regions. Traditional image processing techniques are commonly used for tissue segmentation, but often require manual adjustments to parameter values for atypical cases, fail to exclude all slide and scanning artifacts from the background, and are unable to segment adipose tissue. Pen marking artifacts in particular can be a potential source of bias for subsequent analyses if not removed. In addition, several applications require the separation of individual cross-sections, which can be challenging due to tissue fragmentation and adjacent positioning. To address these problems, we develop a convolutional neural network for tissue and pen marking segmentation using a dataset of 200 H&E stained WSIs. For separating tissue cross-sections, we propose a novel post-processing method based on clustering predicted centroid locations of the cross-sections in a 2D histogram. On an independent test set, the model achieved a mean Dice score of 0.981$\pm$0.033 for tissue segmentation and a mean Dice score of 0.912$\pm$0.090 for pen marking segmentation. The mean absolute difference between the number of annotated and separated cross-sections was 0.075$\pm$0.350. Our results demonstrate that the proposed model can accurately segment H&E stained tissue cross-sections and pen markings in WSIs while being robust to many common slide and scanning artifacts. The model with trained model parameters and post-processing method are made publicly available as a Python package called SlideSegmenter.
Efficient implementation of massive multiple-input-multiple-output (MIMO) transceivers is essential for the next-generation wireless networks. To reduce the high computational complexity of the massive MIMO transceiver, in this paper, we propose a new massive MIMO architecture using finite-precision arithmetic. First, we conduct the rounding error analysis and derive the lower bound of the achievable rate for single-input-multiple-output (SIMO) using maximal ratio combining (MRC) and multiple-input-single-output (MISO) systems using maximal ratio transmission (MRT) with finite-precision arithmetic. Then, considering the multi-user scenario, the rounding error analysis of zero-forcing (ZF) detection and precoding is derived by using the normal equations (NE) method. The corresponding lower bounds of the achievable sum rate are also derived and asymptotic analyses are presented. Built upon insights from these analyses and lower bounds, we propose a mixed-precision architecture for massive MIMO systems to offset performance gaps due to finite-precision arithmetic. The corresponding analysis of rounding errors and computational costs is obtained. Simulation results validate the derived bounds and underscore the superiority of the proposed mixed-precision architecture to the conventional structure.
Background and purpose: The unanticipated detection by magnetic resonance imaging (MRI) in the brain of asymptomatic subjects of white matter lesions suggestive of multiple sclerosis (MS) has been named radiologically isolated syndrome (RIS). As the difference between early MS [i.e. clinically isolated syndrome (CIS)] and RIS is the occurrence of a clinical event, it is logical to improve detection of the subclinical form without interfering with MRI as there are radiological diagnostic criteria for that. Our objective was to use machine-learning classification methods to identify morphometric measures that help to discriminate patients with RIS from those with CIS. Methods: We used a multimodal 3-T MRI approach by combining MRI biomarkers (cortical thickness, cortical and subcortical grey matter volume, and white matter integrity) of a cohort of 17 patients with RIS and 17 patients with CIS for single-subject level classification. Results: The best proposed models to predict the diagnosis of CIS and RIS were based on the Naive Bayes, Bagging and Multilayer Perceptron classifiers using only three features: the left rostral middle frontal gyrus volume and the fractional anisotropy values in the right amygdala and right lingual gyrus. The Naive Bayes obtained the highest accuracy [overall classification, 0.765; area under the receiver operating characteristic (AUROC), 0.782]. Conclusions: A machine-learning approach applied to multimodal MRI data may differentiate between the earliest clinical expressions of MS (CIS and RIS) with an accuracy of 78%. Keywords: Bagging; Multilayer Perceptron; Naive Bayes classifier; clinically isolated syndrome; diffusion tensor imaging; machine-learning; magnetic resonance imaging; multiple sclerosis; radiologically isolated syndrome.
Although continuous advances in theoretical modelling of Molecular Communications (MC) are observed, there is still an insuperable gap between theory and experimental testbeds, especially at the microscale. In this paper, the development of the first testbed incorporating engineered yeast cells is reported. Different from the existing literature, eukaryotic yeast cells are considered for both the sender and the receiver, with {\alpha}-factor molecules facilitating the information transfer. The use of such cells is motivated mainly by the well understood biological mechanism of yeast mating, together with their genetic amenability. In addition, recent advances in yeast biosensing establish yeast as a suitable detector and a neat interface to in-body sensor networks. The system under consideration is presented first, and the mathematical models of the underlying biological processes leading to an end-to-end (E2E) system are given. The experimental setup is then described and used to obtain experimental results which validate the developed mathematical models. Beyond that, the ability of the system to effectively generate output pulses in response to repeated stimuli is demonstrated, reporting one event per two hours. However, fast RNA fluctuations indicate cell responses in less than three minutes, demonstrating the potential for much higher rates in the future.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.
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