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Randomized subspace approximation with "matrix sketching" is an effective approach for constructing approximate partial singular value decompositions (SVDs) of large matrices. The performance of such techniques has been extensively analyzed, and very precise estimates on the distribution of the residual errors have been derived. However, our understanding of the accuracy of the computed singular vectors (measured in terms of the canonical angles between the spaces spanned by the exact and the computed singular vectors, respectively) remains relatively limited. In this work, we present practical bounds and estimates for canonical angles of randomized subspace approximation that can be computed efficiently either a priori or a posteriori, without assuming prior knowledge of the true singular subspaces. Under moderate oversampling in the randomized SVD, our prior probabilistic bounds are asymptotically tight and can be computed efficiently, while bringing a clear insight into the balance between oversampling and power iterations given a fixed budget on the number of matrix-vector multiplications. The numerical experiments demonstrate the empirical effectiveness of these canonical angle bounds and estimates on different matrices under various algorithmic choices for the randomized SVD.

Exact computation of various machine learning explanations requires numerous model evaluations and in extreme cases becomes impractical. The computational cost of approximation increases with an ever-increasing size of data and model parameters. Many heuristics have been proposed to approximate post-hoc explanations efficiently. This paper shows that the standard i.i.d. sampling used in a broad spectrum of algorithms for explanation estimation leads to an approximation error worthy of improvement. To this end, we introduce Compress Then Explain (CTE), a new paradigm for more efficient and accurate explanation estimation. CTE uses distribution compression through kernel thinning to obtain a data sample that best approximates the marginal distribution. We show that CTE improves the estimation of removal-based local and global explanations with negligible computational overhead. It often achieves an on-par explanation approximation error using 2-3x less samples, i.e. requiring 2-3x less model evaluations. CTE is a simple, yet powerful, plug-in for any explanation method that now relies on i.i.d. sampling.

We propose an efficient offline pointing calibration method for operational antenna systems which does not require any downtime. Our approach minimizes the calibration effort and exploits technical signal information which is typically used for monitoring and control purposes in ground station operations. Using a standard antenna interface and data from an operational satellite contact, we come up with a robust strategy for training data set generation. On top of this, we learn the parameters of a suitable coordinate transform by means of linear regression. In our experiments, we show the usefulness of the method in a real-world setup.

Leveraging the computing and sensing capabilities of vehicles, vehicular federated learning (VFL) has been applied to edge training for connected vehicles. The dynamic and interconnected nature of vehicular networks presents unique opportunities to harness direct vehicle-to-vehicle (V2V) communications, enhancing VFL training efficiency. In this paper, we formulate a stochastic optimization problem to optimize the VFL training performance, considering the energy constraints and mobility of vehicles, and propose a V2V-enhanced dynamic scheduling (VEDS) algorithm to solve it. The model aggregation requirements of VFL and the limited transmission time due to mobility result in a stepwise objective function, which presents challenges in solving the problem. We thus propose a derivative-based drift-plus-penalty method to convert the long-term stochastic optimization problem to an online mixed integer nonlinear programming (MINLP) problem, and provide a theoretical analysis to bound the performance gap between the online solution and the offline optimal solution. Further analysis of the scheduling priority reduces the original problem into a set of convex optimization problems, which are efficiently solved using the interior-point method. Experimental results demonstrate that compared with the state-of-the-art benchmarks, the proposed algorithm enhances the image classification accuracy on the CIFAR-10 dataset by 3.18% and reduces the average displacement errors on the Argoverse trajectory prediction dataset by 10.21%.

Robust estimation of the essential matrix, which encodes the relative position and orientation of two cameras, is a fundamental step in structure from motion pipelines. Recent deep-based methods achieved accurate estimation by using complex network architectures that involve graphs, attention layers, and hard pruning steps. Here, we propose a simpler network architecture based on Deep Sets. Given a collection of point matches extracted from two images, our method identifies outlier point matches and models the displacement noise in inlier matches. A weighted DLT module uses these predictions to regress the essential matrix. Our network achieves accurate recovery that is superior to existing networks with significantly more complex architectures.

The strong capability of large language models (LLMs) has been applied to information extraction (IE) through either retrieval augmented prompting or instruction tuning (IT). However, the best way to incorporate information with LLMs for IE remains an open question. In this paper, we explore Retrieval Augmented Instruction Tuning (RA-IT) for IE, focusing on the task of open named entity recognition (NER). Specifically, for each training sample, we retrieve semantically similar examples from the training dataset as the context and prepend them to the input of the original instruction. To evaluate our RA-IT approach more thoroughly, we construct a Chinese IT dataset for open NER and evaluate RA-IT in both English and Chinese scenarios. Experimental results verify the effectiveness of RA-IT across various data sizes and in both English and Chinese scenarios. We also conduct thorough studies to explore the impacts of various retrieval strategies in the proposed RA-IT framework. Code and data are available at: //github.com/Emma1066/Retrieval-Augmented-IT-OpenNER

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations. Our code is available at //github.com/zoom-wang112358/MOLLEO

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.