在许多现实世界中的机器学习应用中，亚种群的转移存在着极大地存在，指的是包含相同亚种群组的培训和测试分布，但在亚种群频率中有所不同。重要性重新加权是通过对训练数据集中每个样本施加恒定或自适应抽样权重来处理亚种群转移问题的正常方法。但是，最近的一些研究已经认识到，这些方法中的大多数无法改善性能，而不是经验风险最小化，尤其是当应用于过度参数化的神经网络时。在这项工作中，我们提出了一个简单而实用的框架，称为“不确定性感知混合”（UMIX），以根据样品不确定性重新加权“混合”样品来减轻过度参数化模型中的过度拟合问题。基于训练 - 注射器的不确定性估计为每个样品的拟议UMIX配备，以灵活地表征亚群分布。我们还提供有见地的理论分析，以验证UMIX是否在先前的工作中实现了更好的概括界限。此外，我们在广泛的任务上进行了广泛的经验研究，以验证我们方法的有效性，既有定性和定量。

在过去的十年中，AI AID毒品发现（AIDD）的计算方法和数据集策划的繁荣发展。但是，现实世界中的药物数据集经常表现出高度不平衡的分布，这在很大程度上被当前的文献忽略了，但可能会严重损害机器学习应用程序的公平性和概括。在这一观察结果的激励下，我们介绍了Imdrug，这是一个全面的基准标准，其开源python库由4个不平衡设置，11个AI-Ready数据集，54个学习任务和16种为不平衡学习量身定制的基线算法。它为涵盖广泛的药物发现管道（例如分子建模，药物靶标相互作用和逆合合成）的问题和解决方案提供了可访问且可定制的测试床。我们通过新的评估指标进行广泛的实证研究，以证明现有算法在数据不平衡情况下无法解决药物和药物挑战。我们认为，Imdrug为未来的研究和发展开辟了途径，在AIDD和深度不平衡学习的交集中对现实世界中的挑战开辟了道路。

随着AI民主化的进展，机器学习（ML）已成功应用于边缘应用，如智能手机和自动驾驶。如今，更多的应用需要在具有极其有限的资源的微小设备上ML，如植入式心脏除颤器（ICD），其称为Tinym1。与边缘上的ML不同，有限的能量供应的Tinyml对低功率执行的需求较高。随机计算（SC）对数据表示的比特流是有价值的，因为它可以使用简单的逻辑门来执行基本的ML操作，而不是复杂的二进制加法器和乘法器。然而，由于算术单元的低数据精度和不准确性，SC通常遭受ML任务的低精度。增加现有作品中的比特流的长度可以减轻精度问题，但延迟较高。在这项工作中，我们提出了一种新的SC架构，即基于块的随机计算（BSC）。 BSC将输入划分为块，使得通过利用高数据并行性可以减少延迟。此外，提出了优化的算术单元和输出修订（我们）方案以提高精度。在它之上，设计了全局优化方法来确定块的数量，可以提高延迟功率折衷。实验结果表明，BSC可以优于现有的设计，以实现ML任务的高度超过10％，并且减少超过6倍。

Denoising diffusion (score-based) generative models have recently achieved significant accomplishments in generating realistic and diverse data. These approaches define a forward diffusion process for transforming data into noise and a backward denoising process for sampling data from noise. Unfortunately, the generation process of current denoising diffusion models is notoriously slow due to the lengthy iterative noise estimations, which rely on cumbersome neural networks. It prevents the diffusion models from being widely deployed, especially on edge devices. Previous works accelerate the generation process of diffusion model (DM) via finding shorter yet effective sampling trajectories. However, they overlook the cost of noise estimation with a heavy network in every iteration. In this work, we accelerate generation from the perspective of compressing the noise estimation network. Due to the difficulty of retraining DMs, we exclude mainstream training-aware compression paradigms and introduce post-training quantization (PTQ) into DM acceleration. However, the output distributions of noise estimation networks change with time-step, making previous PTQ methods fail in DMs since they are designed for single-time step scenarios. To devise a DM-specific PTQ method, we explore PTQ on DM in three aspects: quantized operations, calibration dataset, and calibration metric. We summarize and use several observations derived from all-inclusive investigations to formulate our method, which especially targets the unique multi-time-step structure of DMs. Experimentally, our method can directly quantize full-precision DMs into 8-bit models while maintaining or even improving their performance in a training-free manner. Importantly, our method can serve as a plug-and-play module on other fast-sampling methods, e.g., DDIM.

最近，使用随机梯度Langevin Dynamics（SGLD）的非凸实验性风险最小化范例的泛化界限已经过度研究。已经提出了几种理论框架来研究来自不同观点的这个问题，例如信息理论和稳定性。在本文中，我们从隐私泄漏分析中提出了一个统一的视图，以调查SGLD的泛化范围，以及以简洁的方式重新获得以前结果的理论框架。除了理论上的发现之外，我们进行各种数值研究，以统一地评估SGLD的信息泄漏问题。此外，我们的理论和经验结果提供了研究SGLD成员隐私的事先作品的解释。

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent graph-structured data: losing the structural information of nodes in neighborhoods and lacking the ability to capture long-range dependencies in disassortative graphs. Few studies have noticed the weaknesses from different perspectives. From the observations on classical neural network and network geometry, we propose a novel geometric aggregation scheme for graph neural networks to overcome the two weaknesses. The behind basic idea is the aggregation on a graph can benefit from a continuous space underlying the graph. The proposed aggregation scheme is permutation-invariant and consists of three modules, node embedding, structural neighborhood, and bi-level aggregation. We also present an implementation of the scheme in graph convolutional networks, termed Geom-GCN, to perform transductive learning on graphs. Experimental results show the proposed Geom-GCN achieved state-of-the-art performance on a wide range of open datasets of graphs.

In this paper, we propose a robust 3D detector, named Cross Modal Transformer (CMT), for end-to-end 3D multi-modal detection. Without explicit view transformation, CMT takes the image and point clouds tokens as inputs and directly outputs accurate 3D bounding boxes. The spatial alignment of multi-modal tokens is performed implicitly, by encoding the 3D points into multi-modal features. The core design of CMT is quite simple while its performance is impressive. CMT obtains 73.0% NDS on nuScenes benchmark. Moreover, CMT has a strong robustness even if the LiDAR is missing. Code will be released at https://github.com/junjie18/CMT.

Dataset distillation has emerged as a prominent technique to improve data efficiency when training machine learning models. It encapsulates the knowledge from a large dataset into a smaller synthetic dataset. A model trained on this smaller distilled dataset can attain comparable performance to a model trained on the original training dataset. However, the existing dataset distillation techniques mainly aim at achieving the best trade-off between resource usage efficiency and model utility. The security risks stemming from them have not been explored. This study performs the first backdoor attack against the models trained on the data distilled by dataset distillation models in the image domain. Concretely, we inject triggers into the synthetic data during the distillation procedure rather than during the model training stage, where all previous attacks are performed. We propose two types of backdoor attacks, namely NAIVEATTACK and DOORPING. NAIVEATTACK simply adds triggers to the raw data at the initial distillation phase, while DOORPING iteratively updates the triggers during the entire distillation procedure. We conduct extensive evaluations on multiple datasets, architectures, and dataset distillation techniques. Empirical evaluation shows that NAIVEATTACK achieves decent attack success rate (ASR) scores in some cases, while DOORPING reaches higher ASR scores (close to 1.0) in all cases. Furthermore, we conduct a comprehensive ablation study to analyze the factors that may affect the attack performance. Finally, we evaluate multiple defense mechanisms against our backdoor attacks and show that our attacks can practically circumvent these defense mechanisms.

Automatic music generation with artificial intelligence typically requires a large amount of data which is hard to obtain for many less common genres and musical instruments. To tackle this issue, we present ongoing work and preliminary findings on the possibility for deep models to transfer knowledge from language to music, by finetuning large language models pre-trained on a massive text corpus on only hundreds of MIDI files of drum performances. We show that by doing so, one of the largest, state-of-the-art models (GPT3) is capable of generating reasonable drum grooves, while models that are not pre-trained (Transformer) shows no such ability beyond naive repetition. Evaluating generated music is a challenging task, more so is evaluating drum grooves with little precedence in literature. Hence, we propose a tailored structural evaluation method and analyze drum grooves produced by GPT3 compared to those played by human professionals, exposing the strengths and weaknesses of such generation by language-to-music transfer. Our findings suggest that language-to-music transfer learning with large language models is viable and promising.

Few Shot Instance Segmentation (FSIS) requires models to detect and segment novel classes with limited several support examples. In this work, we explore a simple yet unified solution for FSIS as well as its incremental variants, and introduce a new framework named Reference Twice (RefT) to fully explore the relationship between support/query features based on a Transformer-like framework. Our key insights are two folds: Firstly, with the aid of support masks, we can generate dynamic class centers more appropriately to re-weight query features. Secondly, we find that support object queries have already encoded key factors after base training. In this way, the query features can be enhanced twice from two aspects, i.e., feature-level and instance-level. In particular, we firstly design a mask-based dynamic weighting module to enhance support features and then propose to link object queries for better calibration via cross-attention. After the above steps, the novel classes can be improved significantly over our strong baseline. Additionally, our new framework can be easily extended to incremental FSIS with minor modification. When benchmarking results on the COCO dataset for FSIS, gFSIS, and iFSIS settings, our method achieves a competitive performance compared to existing approaches across different shots, e.g., we boost nAP by noticeable +8.2/+9.4 over the current state-of-the-art FSIS method for 10/30-shot. We further demonstrate the superiority of our approach on Few Shot Object Detection. Code and model will be available.