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Conditional 3D generation is undergoing a significant advancement, enabling the free creation of 3D content from inputs such as text or 2D images. However, previous approaches have suffered from low inference efficiency, limited generation categories, and restricted downstream applications. In this work, we revisit the impact of different 3D representations on generation quality and efficiency. We propose a progressive generation method through Voxel-Point Progressive Representation (VPP). VPP leverages structured voxel representation in the proposed Voxel Semantic Generator and the sparsity of unstructured point representation in the Point Upsampler, enabling efficient generation of multi-category objects. VPP can generate high-quality 8K point clouds within 0.2 seconds. Additionally, the masked generation Transformer allows for various 3D downstream tasks, such as generation, editing, completion, and pre-training. Extensive experiments demonstrate that VPP efficiently generates high-fidelity and diverse 3D shapes across different categories, while also exhibiting excellent representation transfer performance. Codes will be released at \url{//github.com/qizekun/VPP}.

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited by insufficient training data and their inability to utilize textual information, undermining their applicability in real-world applications. In this work, we propose ReLM, a novel framework that leverages the chemical knowledge encoded in language models (LMs) to assist GNNs, thereby enhancing the accuracy of real-world chemical reaction predictions. To further enhance the model's robustness and interpretability, we incorporate the confidence score strategy, enabling the LMs to self-assess the reliability of their predictions. Our experimental results demonstrate that ReLM improves the performance of state-of-the-art GNN-based methods across various chemical reaction datasets, especially in out-of-distribution settings. Codes are available at //github.com/syr-cn/ReLM.

Reinforcement Learning (RL)-based recommender systems (RSs) have garnered considerable attention due to their ability to learn optimal recommendation policies and maximize long-term user rewards. However, deploying RL models directly in online environments and generating authentic data through A/B tests can pose challenges and require substantial resources. Simulators offer an alternative approach by providing training and evaluation environments for RS models, reducing reliance on real-world data. Existing simulators have shown promising results but also have limitations such as simplified user feedback, lacking consistency with real-world data, the challenge of simulator evaluation, and difficulties in migration and expansion across RSs. To address these challenges, we propose KuaiSim, a comprehensive user environment that provides user feedback with multi-behavior and cross-session responses. The resulting simulator can support three levels of recommendation problems: the request level list-wise recommendation task, the whole-session level sequential recommendation task, and the cross-session level retention optimization task. For each task, KuaiSim also provides evaluation protocols and baseline recommendation algorithms that further serve as benchmarks for future research. We also restructure existing competitive simulators on the KuaiRand Dataset and compare them against KuaiSim to future assess their performance and behavioral differences. Furthermore, to showcase KuaiSim's flexibility in accommodating different datasets, we demonstrate its versatility and robustness when deploying it on the ML-1m dataset.

Owing to the promising ability of saving hardware cost and spectrum resources, integrated sensing and communication (ISAC) is regarded as a revolutionary technology for future sixth-generation (6G) networks. The mono-static ISAC systems considered in most of existing works can only achieve limited sensing performance due to the single observation angle and easily blocked transmission links, which motivates researchers to investigate cooperative ISAC networks. In order to further improve the degrees of freedom (DoFs) of cooperative ISAC networks, the transmitter-receiver selection, i.e., base station (BS) mode selection problem, is meaningful to be studied. However, to our best knowledge, this crucial problem has not been extensively studied in existing works. In this paper, we consider the joint BS mode selection, transmit beamforming, and receive filter design for cooperative cell-free ISAC networks, where multi-BSs cooperatively serve communication users and detect targets. We aim to maximize the sum of sensing signal-to-interference-plus-noise ratio (SINR) under the communication SINR requirements, total power budget, and constraints on the numbers of transmit/receive BSs. An efficient joint beamforming design algorithm and three different heuristic BS mode selection methods are proposed to solve this non-convex NP-hard problem. Simulation results demonstrates the advantages of cooperative ISAC networks, the importance of BS mode selection, and the effectiveness of our proposed algorithms.

An experimental Quantum Key Distribution (QKD) implementation requires advanced costly hardware, unavailable in most research environments, making protocol testing and performance evaluation complicated. Historically, this has been a major motivation for the development of QKD simulation frameworks, to allow researchers to obtain insight before proceeding into practical implementations. Several simulators have been introduced over the recent years. However, only four are publicly available, only one of which models equipment imperfections. Currently, no open-source simulator includes all following capabilities: channel attenuation modelling, equipment imperfections and effect on key rates, estimation of elapsed time during quantum channel processes, use of truly random binary sequences for qubits and measurement bases, shared-bit fraction customization. In this paper, we present NuQKD, an open-source modular, intuitive simulator, featuring all the above capabilities. NuQKD establishes communication between two computer terminals, accepts custom inputs (iterations, raw key size, interception rate etc.) and evaluates the sifted key length, Quantum Bit Error Rate (QBER), elapsed communication time and more). NuQKD capabilities include optical fiber and free-space simulation, modeling of equipment/channel imperfections, bitstrings from True Random Number Generator, modular design and automated evaluation of performance metrics. We expect NuQKD to enable convenient and accurate representation of actual experimental conditions.

Existing regression models tend to fall short in both accuracy and uncertainty estimation when the label distribution is imbalanced. In this paper, we propose a probabilistic deep learning model, dubbed variational imbalanced regression (VIR), which not only performs well in imbalanced regression but naturally produces reasonable uncertainty estimation as a byproduct. Different from typical variational autoencoders assuming I.I.D. representations (a data point's representation is not directly affected by other data points), our VIR borrows data with similar regression labels to compute the latent representation's variational distribution; furthermore, different from deterministic regression models producing point estimates, VIR predicts the entire normal-inverse-gamma distributions and modulates the associated conjugate distributions to impose probabilistic reweighting on the imbalanced data, thereby providing better uncertainty estimation. Experiments in several real-world datasets show that our VIR can outperform state-of-the-art imbalanced regression models in terms of both accuracy and uncertainty estimation. Code will soon be available at //github.com/Wang-ML-Lab/variational-imbalanced-regression.

We present CoDEx, a set of knowledge graph completion datasets extracted from Wikidata and Wikipedia that improve upon existing knowledge graph completion benchmarks in scope and level of difficulty. In terms of scope, CoDEx comprises three knowledge graphs varying in size and structure, multilingual descriptions of entities and relations, and tens of thousands of hard negative triples that are plausible but verified to be false. To characterize CoDEx, we contribute thorough empirical analyses and benchmarking experiments. First, we analyze each CoDEx dataset in terms of logical relation patterns. Next, we report baseline link prediction and triple classification results on CoDEx for five extensively tuned embedding models. Finally, we differentiate CoDEx from the popular FB15K-237 knowledge graph completion dataset by showing that CoDEx covers more diverse and interpretable content, and is a more difficult link prediction benchmark. Data, code, and pretrained models are available at //bit.ly/2EPbrJs.

The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.

Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.

Convolutional Neural Networks (CNNs) have gained significant traction in the field of machine learning, particularly due to their high accuracy in visual recognition. Recent works have pushed the performance of GPU implementations of CNNs to significantly improve their classification and training times. With these improvements, many frameworks have become available for implementing CNNs on both CPUs and GPUs, with no support for FPGA implementations. In this work we present a modified version of the popular CNN framework Caffe, with FPGA support. This allows for classification using CNN models and specialized FPGA implementations with the flexibility of reprogramming the device when necessary, seamless memory transactions between host and device, simple-to-use test benches, and the ability to create pipelined layer implementations. To validate the framework, we use the Xilinx SDAccel environment to implement an FPGA-based Winograd convolution engine and show that the FPGA layer can be used alongside other layers running on a host processor to run several popular CNNs (AlexNet, GoogleNet, VGG A, Overfeat). The results show that our framework achieves 50 GFLOPS across 3x3 convolutions in the benchmarks. This is achieved within a practical framework, which will aid in future development of FPGA-based CNNs.