Estimating parameters of functional ARMA, GARCH and invertible processes requires estimating lagged covariance and cross-covariance operators of Cartesian product Hilbert space-valued processes. Asymptotic results have been derived in recent years, either less generally or under a strict condition. This article derives upper bounds of the estimation errors for such operators based on the mild condition Lp-m-approximability for each lag, Cartesian power(s) and sample size, where the two processes can take values in different spaces in the context of lagged cross-covariance operators. Implications of our results on eigenelements, parameters in functional AR(MA) models and other general situations are also discussed.
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We have developed a Bayesian optimization (BO) workflow that integrates intra-step noise optimization into automated experimental cycles. Traditional BO approaches in automated experiments focus on optimizing experimental trajectories but often overlook the impact of measurement noise on data quality and cost. Our proposed framework simultaneously optimizes both the target property and the associated measurement noise by introducing time as an additional input parameter, thereby balancing the signal-to-noise ratio and experimental duration. Two approaches are explored: a reward-driven noise optimization and a double-optimization acquisition function, both enhancing the efficiency of automated workflows by considering noise and cost within the optimization process. We validate our method through simulations and real-world experiments using Piezoresponse Force Microscopy (PFM), demonstrating the successful optimization of measurement duration and property exploration. Our approach offers a scalable solution for optimizing multiple variables in automated experimental workflows, improving data quality, and reducing resource expenditure in materials science and beyond.
Dexterous grasping is a fundamental yet challenging skill in robotic manipulation, requiring precise interaction between robotic hands and objects. In this paper, we present $\mathcal{D(R,O)}$ Grasp, a novel framework that models the interaction between the robotic hand in its grasping pose and the object, enabling broad generalization across various robot hands and object geometries. Our model takes the robot hand's description and object point cloud as inputs and efficiently predicts kinematically valid and stable grasps, demonstrating strong adaptability to diverse robot embodiments and object geometries. Extensive experiments conducted in both simulated and real-world environments validate the effectiveness of our approach, with significant improvements in success rate, grasp diversity, and inference speed across multiple robotic hands. Our method achieves an average success rate of 87.53% in simulation in less than one second, tested across three different dexterous robotic hands. In real-world experiments using the LeapHand, the method also demonstrates an average success rate of 89%. $\mathcal{D(R,O)}$ Grasp provides a robust solution for dexterous grasping in complex and varied environments. The code, appendix, and videos are available on our project website at //nus-lins-lab.github.io/drograspweb/.
Multi-objective optimization is a common problem in practical applications, and multi-objective evolutionary algorithm (MOEA) is considered as one of the effective methods to solve these problems. However, their randomness sometimes prevents algorithms from rapidly converging to global optimization, and the design of their genetic operators often requires complicated manual tuning. To overcome this challenge, this study proposes a new framework that combines a large language model (LLM) with traditional evolutionary algorithms to enhance the algorithm's search capability and generalization performance.In our framework, we employ adaptive and hybrid mechanisms to integrate the LLM with the MOEA, thereby accelerating algorithmic convergence. Specifically, we leverage an auxiliary evaluation function and automated prompt construction within the adaptive mechanism to flexibly adjust the utilization of the LLM, generating high-quality solutions that are further refined and optimized through genetic operators.Concurrently, the hybrid mechanism aims to minimize interaction costs with the LLM as much as possible.
$C^*$-algebra-valued kernels could pave the way for the next generation of kernel machines. To further our fundamental understanding of learning with $C^*$-algebraic kernels, we propose a new class of positive definite kernels based on the spectral truncation. We focus on kernels whose inputs and outputs are vectors or functions and generalize typical kernels by introducing the noncommutativity of the products appearing in the kernels. The noncommutativity induces interactions along the data function domain. We show that it is a governing factor leading to performance enhancement: we can balance the representation power and the model complexity. We also propose a deep learning perspective to increase the representation capacity of spectral truncation kernels. The flexibility of the proposed class of kernels allows us to go beyond previous commutative kernels, addressing two of the foremost issues regarding learning in vector-valued RKHSs, namely the choice of the kernel and the computational cost.
Density ratio estimation (DRE) is a fundamental machine learning technique for capturing relationships between two probability distributions. State-of-the-art DRE methods estimate the density ratio using neural networks trained with loss functions derived from variational representations of $f$-divergence. However, existing methods face optimization challenges, such as overfitting due to lower-unbounded loss functions, biased mini-batch gradients, vanishing training loss gradients, and high sample requirements for Kullback-Leibler (KL) divergence loss functions. To address these issues, we focus on $\alpha$-divergence, which provides a suitable variational representation of $f$-divergence. Subsequently, a novel loss function for DRE, the $\alpha$-divergence loss function ($\alpha$-Div), is derived. $\alpha$-Div is concise but offers stable and effective optimization for DRE. The boundedness of $\alpha$-divergence provides the potential for successful DRE with data exhibiting high KL-divergence. Our numerical experiments demonstrate the effectiveness in optimization using $\alpha$-Div. However, the experiments also show that the proposed loss function offers no significant advantage over the KL-divergence loss function in terms of RMSE for DRE. This indicates that the accuracy of DRE is primarily determined by the amount of KL-divergence in the data and is less dependent on $\alpha$-divergence.
We consider minimum time multicasting problems in directed and undirected graphs: given a root node and a subset of $t$ terminal nodes, multicasting seeks to find the minimum number of rounds within which all terminals can be informed with a message originating at the root. In each round, the telephone model we study allows the information to move via a matching from the informed nodes to the uninformed nodes. Since minimum time multicasting in digraphs is poorly understood compared to the undirected variant, we study an intermediate problem in undirected graphs that specifies a target $k < t$, and requires the only $k$ of the terminals be informed in the minimum number of rounds. For this problem, we improve implications of prior results and obtain an $\tilde{O}(t^{1/3})$ multiplicative approximation. For the directed version, we obtain an {\em additive} $\tilde{O}(k^{1/2})$ approximation algorithm (with a poly-logarithmic multiplicative factor). Our algorithms are based on reductions to the related problems of finding $k$-trees of minimum poise (sum of maximum degree and diameter) and applying a combination of greedy network decomposition techniques and set covering under partition matroid constraints.
Error-bounded lossy compression is a critical technique for significantly reducing scientific data volumes. Compared to CPU-based compressors, GPU-based compressors exhibit substantially higher throughputs, fitting better for today's HPC applications. However, the critical limitations of existing GPU-based compressors are their low compression ratios and qualities, severely restricting their applicability. To overcome these, we introduce a new GPU-based error-bounded scientific lossy compressor named cuSZ-$i$, with the following contributions: (1) A novel GPU-optimized interpolation-based prediction method significantly improves the compression ratio and decompression data quality. (2) The Huffman encoding module in cuSZ-$i$ is optimized for better efficiency. (3) cuSZ-$i$ is the first to integrate the NVIDIA Bitcomp-lossless as an additional compression-ratio-enhancing module. Evaluations show that cuSZ-$i$ significantly outperforms other latest GPU-based lossy compressors in compression ratio under the same error bound (hence, the desired quality), showcasing a 476% advantage over the second-best. This leads to cuSZ-$i$'s optimized performance in several real-world use cases.
Graph convolution networks (GCN) are increasingly popular in many applications, yet remain notoriously hard to train over large graph datasets. They need to compute node representations recursively from their neighbors. Current GCN training algorithms suffer from either high computational costs that grow exponentially with the number of layers, or high memory usage for loading the entire graph and node embeddings. In this paper, we propose a novel efficient layer-wise training framework for GCN (L-GCN), that disentangles feature aggregation and feature transformation during training, hence greatly reducing time and memory complexities. We present theoretical analysis for L-GCN under the graph isomorphism framework, that L-GCN leads to as powerful GCNs as the more costly conventional training algorithm does, under mild conditions. We further propose L^2-GCN, which learns a controller for each layer that can automatically adjust the training epochs per layer in L-GCN. Experiments show that L-GCN is faster than state-of-the-arts by at least an order of magnitude, with a consistent of memory usage not dependent on dataset size, while maintaining comparable prediction performance. With the learned controller, L^2-GCN can further cut the training time in half. Our codes are available at //github.com/Shen-Lab/L2-GCN.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
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