Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve state-of-the-art performance.
Measurement-based quantum computing (MBQC) is a promising quantum computing paradigm that performs computation through ``one-way'' measurements on entangled quantum qubits. It is widely used in photonic quantum computing (PQC), where the computation is carried out on photonic cluster states (i.e., a 2-D mesh of entangled photons). In MBQC-based PQC, the cluster state depth (i.e., the length of one-way measurements) to execute a quantum circuit plays an important role in the overall execution time and error. Thus, it is important to reduce the cluster state depth. In this paper, we propose FMCC, a compilation framework that employs dynamic programming to efficiently minimize the cluster state depth. Experimental results on five representative quantum algorithms show that FMCC achieves 53.6%, 60.6%, and 60.0% average depth reductions in small, medium, and large qubit counts compared to the state-of-the-art MBQC compilation frameworks.
The advent of Large Language Models (LLMs) has ushered in a new era for design science in Information Systems, demanding a paradigm shift in tailoring LLMs design for business contexts. This paper proposes a novel framework to customize LLMs for general business contexts that aims to achieve three fundamental objectives simultaneously: (1) aligning conversational patterns, (2) integrating in-depth domain knowledge, and (3) embodying the soft skills and core principles. We design methodologies to combine domain-specific theory with Supervised Fine Tuning (SFT) in LLMs. We instantiate our proposed framework in the context of medical consultation, creating a GPT-doctor model. Specifically, we construct a comprehensive dataset for SFT by collecting large volume of real doctors consultation records from a leading online medical consultation platform and medical knowledge from professional databases. Additionally, drawing on medical theory, we identify three soft skills and core principles of human doctors including professionalism, explainability, and emotional support, and design approaches to integrate these skills into LLMs. We demonstrate the feasibility and performance of our proposed framework using online experiments with real patients as well as evaluation by domain experts and real consumers. Results demonstrate that fine-tuned GPT-doctor performs on par with human doctors across multiple metrics including medical expertise and consumer preference. Finally, we unravel the black box and examine the sources of model performance improvement from the perspectives of horizontal conversation pattern alignment and vertical medical knowledge evolution. Our proposed framework offers step-by-step principles and guidance for customizing LLMs for real-world business problems.
Venn Prediction (VP) is a new machine learning framework for producing well-calibrated probabilistic predictions. In particular it provides well-calibrated lower and upper bounds for the conditional probability of an example belonging to each possible class of the problem at hand. This paper proposes five VP methods based on Neural Networks (NNs), which is one of the most widely used machine learning techniques. The proposed methods are evaluated experimentally on four benchmark datasets and the obtained results demonstrate the empirical well-calibratedness of their outputs and their superiority over the outputs of the traditional NN classifier.
Combinatorial Optimization (CO) problems over graphs appear routinely in many applications such as in optimizing traffic, viral marketing in social networks, and matching for job allocation. Due to their combinatorial nature, these problems are often NP-hard. Existing approximation algorithms and heuristics rely on the search space to find the solutions and become time-consuming when this space is large. In this paper, we design a neural method called COMBHelper to reduce this space and thus improve the efficiency of the traditional CO algorithms based on node selection. Specifically, it employs a Graph Neural Network (GNN) to identify promising nodes for the solution set. This pruned search space is then fed to the traditional CO algorithms. COMBHelper also uses a Knowledge Distillation (KD) module and a problem-specific boosting module to bring further efficiency and efficacy. Our extensive experiments show that the traditional CO algorithms with COMBHelper are at least 2 times faster than their original versions.
Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph machine learning, with polynomial filters applied for graph convolutions, where all nodes share the identical filter weights to mine their local contexts. Despite the success, existing spectral GNNs usually fail to deal with complex networks (e.g., WWW) due to such homogeneous spectral filtering setting that ignores the regional heterogeneity as typically seen in real-world networks. To tackle this issue, we propose a novel diverse spectral filtering (DSF) framework, which automatically learns node-specific filter weights to exploit the varying local structure properly. Particularly, the diverse filter weights consist of two components -- A global one shared among all nodes, and a local one that varies along network edges to reflect node difference arising from distinct graph parts -- to balance between local and global information. As such, not only can the global graph characteristics be captured, but also the diverse local patterns can be mined with awareness of different node positions. Interestingly, we formulate a novel optimization problem to assist in learning diverse filters, which also enables us to enhance any spectral GNNs with our DSF framework. We showcase the proposed framework on three state-of-the-arts including GPR-GNN, BernNet, and JacobiConv. Extensive experiments over 10 benchmark datasets demonstrate that our framework can consistently boost model performance by up to 4.92% in node classification tasks, producing diverse filters with enhanced interpretability. Code is available at \url{//github.com/jingweio/DSF}.
Representing a polygon using a set of simple shapes has numerous applications in different use-case scenarios. We consider the problem of covering the interior of a rectilinear polygon with holes by a set of area-weighted, axis-aligned rectangles such that the total weight of the rectangles in the cover is minimized. Already the unit-weight case is known to be NP-hard and the general problem has, to the best of our knowledge, not been studied experimentally before. We show a new basic property of optimal solutions of the weighted problem. This allows us to speed up existing algorithms for the unit-weight case, obtain an improved ILP formulation for both the weighted and unweighted problem, and develop several approximation algorithms and heuristics for the weighted case. All our algorithms are evaluated in a large experimental study on 186 837 polygons combined with six cost functions, which provides evidence that our algorithms are both fast and yield close-to-optimal solutions in practice.
We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.
Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.
Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.
Automatic License Plate Recognition (ALPR) has been a frequent topic of research due to many practical applications. However, many of the current solutions are still not robust in real-world situations, commonly depending on many constraints. This paper presents a robust and efficient ALPR system based on the state-of-the-art YOLO object detection. The Convolutional Neural Networks (CNNs) are trained and fine-tuned for each ALPR stage so that they are robust under different conditions (e.g., variations in camera, lighting, and background). Specially for character segmentation and recognition, we design a two-stage approach employing simple data augmentation tricks such as inverted License Plates (LPs) and flipped characters. The resulting ALPR approach achieved impressive results in two datasets. First, in the SSIG dataset, composed of 2,000 frames from 101 vehicle videos, our system achieved a recognition rate of 93.53% and 47 Frames Per Second (FPS), performing better than both Sighthound and OpenALPR commercial systems (89.80% and 93.03%, respectively) and considerably outperforming previous results (81.80%). Second, targeting a more realistic scenario, we introduce a larger public dataset, called UFPR-ALPR dataset, designed to ALPR. This dataset contains 150 videos and 4,500 frames captured when both camera and vehicles are moving and also contains different types of vehicles (cars, motorcycles, buses and trucks). In our proposed dataset, the trial versions of commercial systems achieved recognition rates below 70%. On the other hand, our system performed better, with recognition rate of 78.33% and 35 FPS.