本文考虑了深神经网络中随机矩阵普遍性的几个方面。在最近的实验工作中，我们使用与局部统计相关的随机矩阵的普遍特性，以基于其Hessians的现实模型来获得对深神经网络的实际含义。特别是，我们得出了深度神经网络光谱中异常值的普遍方面，并证明了随机矩阵局部定律在流行的预处理梯度下降算法中的重要作用。我们还通过基于统计物理学和随机矩阵理论的工具的一般参数，对深度神经网络损失表面的见解。

我们调查人工神经网络的损失表面Hessians的局部光谱统计数据，在那里我们发现跨多个网络架构和数据集的高斯正交集合统计数据非常一致。这些结果阐述了随机矩阵理论对神经网络建模的适用性，并提出了在深度学习中损失表面研究中的先前未被识别的作用。通过这些观察的启发，我们提出了一种新颖的神经网络的真正损失表面模型，与我们的观察结果一致，这允许Hessian光谱密度在实践中广泛观察到具有秩的退化性和异常值，并预测损失梯度的独立性越来越长重量空间中距离的函数。我们进一步调查了神经网络中真正损失表面的重要性，并与以前的工作相比，找到了定位全球最小值的指数硬度对实现最新性能的实际后果。

Accurate determination of a small molecule candidate (ligand) binding pose in its target protein pocket is important for computer-aided drug discovery. Typical rigid-body docking methods ignore the pocket flexibility of protein, while the more accurate pose generation using molecular dynamics is hindered by slow protein dynamics. We develop a tiered tensor transform (3T) algorithm to rapidly generate diverse protein-ligand complex conformations for both pose and affinity estimation in drug screening, requiring neither machine learning training nor lengthy dynamics computation, while maintaining both coarse-grain-like coordinated protein dynamics and atomistic-level details of the complex pocket. The 3T conformation structures we generate are closer to experimental co-crystal structures than those generated by docking software, and more importantly achieve significantly higher accuracy in active ligand classification than traditional ensemble docking using hundreds of experimental protein conformations. 3T structure transformation is decoupled from the system physics, making future usage in other computational scientific domains possible.

Using geometric landmarks like lines and planes can increase navigation accuracy and decrease map storage requirements compared to commonly-used LiDAR point cloud maps. However, landmark-based registration for applications like loop closure detection is challenging because a reliable initial guess is not available. Global landmark matching has been investigated in the literature, but these methods typically use ad hoc representations of 3D line and plane landmarks that are not invariant to large viewpoint changes, resulting in incorrect matches and high registration error. To address this issue, we adopt the affine Grassmannian manifold to represent 3D lines and planes and prove that the distance between two landmarks is invariant to rotation and translation if a shift operation is performed before applying the Grassmannian metric. This invariance property enables the use of our graph-based data association framework for identifying landmark matches that can subsequently be used for registration in the least-squares sense. Evaluated on a challenging landmark matching and registration task using publicly-available LiDAR datasets, our approach yields a 1.7x and 3.5x improvement in successful registrations compared to methods that use viewpoint-dependent centroid and "closest point" representations, respectively.

In this work, we devise robust and efficient learning protocols for orchestrating a Federated Learning (FL) process for the Federated Tumor Segmentation Challenge (FeTS 2022). Enabling FL for FeTS setup is challenging mainly due to data heterogeneity among collaborators and communication cost of training. To tackle these challenges, we propose Robust Learning Protocol (RoLePRO) which is a combination of server-side adaptive optimisation (e.g., server-side Adam) and judicious parameter (weights) aggregation schemes (e.g., adaptive weighted aggregation). RoLePRO takes a two-phase approach, where the first phase consists of vanilla Federated Averaging, while the second phase consists of a judicious aggregation scheme that uses a sophisticated reweighting, all in the presence of an adaptive optimisation algorithm at the server. We draw insights from extensive experimentation to tune learning rates for the two phases.

Incivility remains a major challenge for online discussion platforms, to such an extent that even conversations between well-intentioned users can often derail into uncivil behavior. Traditionally, platforms have relied on moderators to -- with or without algorithmic assistance -- take corrective actions such as removing comments or banning users. In this work we propose a complementary paradigm that directly empowers users by proactively enhancing their awareness about existing tension in the conversation they are engaging in and actively guides them as they are drafting their replies to avoid further escalation. As a proof of concept for this paradigm, we design an algorithmic tool that provides such proactive information directly to users, and conduct a user study in a popular discussion platform. Through a mixed methods approach combining surveys with a randomized controlled experiment, we uncover qualitative and quantitative insights regarding how the participants utilize and react to this information. Most participants report finding this proactive paradigm valuable, noting that it helps them to identify tension that they may have otherwise missed and prompts them to further reflect on their own replies and to revise them. These effects are corroborated by a comparison of how the participants draft their reply when our tool warns them that their conversation is at risk of derailing into uncivil behavior versus in a control condition where the tool is disabled. These preliminary findings highlight the potential of this user-centered paradigm and point to concrete directions for future implementations.

Transfer learning uses a data model, trained to make predictions or inferences on data from one population, to make reliable predictions or inferences on data from another population. Most existing transfer learning approaches are based on fine-tuning pre-trained neural network models, and fail to provide crucial uncertainty quantification. We develop a statistical framework for model predictions based on transfer learning, called RECaST. The primary mechanism is a Cauchy random effect that recalibrates a source model to a target population; we mathematically and empirically demonstrate the validity of our RECaST approach for transfer learning between linear models, in the sense that prediction sets will achieve their nominal stated coverage, and we numerically illustrate the method's robustness to asymptotic approximations for nonlinear models. Whereas many existing techniques are built on particular source models, RECaST is agnostic to the choice of source model. For example, our RECaST transfer learning approach can be applied to a continuous or discrete data model with linear or logistic regression, deep neural network architectures, etc. Furthermore, RECaST provides uncertainty quantification for predictions, which is mostly absent in the literature. We examine our method's performance in a simulation study and in an application to real hospital data.

To address the widespread problem of uncivil behavior, many online discussion platforms employ human moderators to take action against objectionable content, such as removing it or placing sanctions on its authors. This reactive paradigm of taking action against already-posted antisocial content is currently the most common form of moderation, and has accordingly underpinned many recent efforts at introducing automation into the moderation process. Comparatively less work has been done to understand other moderation paradigms -- such as proactively discouraging the emergence of antisocial behavior rather than reacting to it -- and the role algorithmic support can play in these paradigms. In this work, we investigate such a proactive framework for moderation in a case study of a collaborative setting: Wikipedia Talk Pages. We employ a mixed methods approach, combining qualitative and design components for a holistic analysis. Through interviews with moderators, we find that despite a lack of technical and social support, moderators already engage in a number of proactive moderation behaviors, such as preemptively intervening in conversations to keep them on track. Further, we explore how automation could assist with this existing proactive moderation workflow by building a prototype tool, presenting it to moderators, and examining how the assistance it provides might fit into their workflow. The resulting feedback uncovers both strengths and drawbacks of the prototype tool and suggests concrete steps towards further developing such assisting technology so it can most effectively support moderators in their existing proactive moderation workflow.

Classifier-free guided diffusion models have recently been shown to be highly effective at high-resolution image generation, and they have been widely used in large-scale diffusion frameworks including DALLE-2, Stable Diffusion and Imagen. However, a downside of classifier-free guided diffusion models is that they are computationally expensive at inference time since they require evaluating two diffusion models, a class-conditional model and an unconditional model, tens to hundreds of times. To deal with this limitation, we propose an approach to distilling classifier-free guided diffusion models into models that are fast to sample from: Given a pre-trained classifier-free guided model, we first learn a single model to match the output of the combined conditional and unconditional models, and then we progressively distill that model to a diffusion model that requires much fewer sampling steps. For standard diffusion models trained on the pixel-space, our approach is able to generate images visually comparable to that of the original model using as few as 4 sampling steps on ImageNet 64x64 and CIFAR-10, achieving FID/IS scores comparable to that of the original model while being up to 256 times faster to sample from. For diffusion models trained on the latent-space (e.g., Stable Diffusion), our approach is able to generate high-fidelity images using as few as 1 to 4 denoising steps, accelerating inference by at least 10-fold compared to existing methods on ImageNet 256x256 and LAION datasets. We further demonstrate the effectiveness of our approach on text-guided image editing and inpainting, where our distilled model is able to generate high-quality results using as few as 2-4 denoising steps.

本文提出了一个新颖的框架，用于在参考图中对车辆的实时定位和自负跟踪。核心想法是映射车辆观察到的语义对象，并将其注册到参考图中的相应对象。尽管最近的几项作品利用语义信息进行了跨视图本地化，但这项工作的主要贡献是一种视图不变的公式，该方法使该方法直接适用于可检测到对象的任何观点配置。另一个独特的特征是，由于适用于极端异常相群方案的数据关联方案，环境/对象变化的鲁棒性（例如，关联离群值90％）。为了展示我们的框架，我们考虑了仅使用汽车作为对象将地面车辆定位在参考对象图中的示例。虽然仅使用立体声摄像头用于接地车辆，但我们考虑使用立体声摄像机和激光扫描从地面观点构建了先验地图，并在不同日期捕获的地理参与的空中图像以证明框架对不同方式，观点和观点和观点和观点，观点和观点的稳健性，环境变化。对Kitti数据集的评估表明，在3.7 km的轨迹上，本地化发生在36秒内，其次是在激光雷达参考图中的平均位置误差为8.5 m，在空中对象图中的平均位置误差为8.5 m，其中77％对象是离群值，在71秒内实现定位，平均位置误差为7.9 m。