The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

先前的工作表明，语言模型（LMS）的大小（LMS）与它们在不同下游NLP任务上的零拍摄性能之间存在缩放定律。在这项工作中，我们表明，在用否定提示的任务评估大型LM时，这种现象并不存在，而是显示了逆缩放定律。我们对（1）验证的LMS（OPT＆GPT -3）的否定提示评估了9个不同的任务，该任务的不同尺寸（125m -175b），（2）LMS进一步预处理以推广到新颖的提示（指令），（3）提供的LMS，（3）LMS。示例很少，（4）LMS专门针对否定的提示进行了微调；所有LM类型在否定的提示上的表现较差，并在比较原始提示和否定提示的平均得分时显示人类绩效之间的巨大性能差距。通过强调现有LMS和方法的关键局限，我们敦促社区开发开发实际遵循给定指示的LMS的新方法。我们提供代码和数据集，以探索https://github.com/joeljang/negated-prompts-for-llms的否定提示。

来自计算机断层扫描血管造影（CTA）的肾脏结构分割对于许多计算机辅助的肾脏癌治疗应用至关重要。肾脏解析〜（KIPA 2022）挑战旨在建立细粒度的多结构数据集并改善多个肾脏结构的分割。最近，U-NET主导了医疗图像分割。在KIPA挑战中，我们评估了几个U-NET变体，并选择了最终提交的最佳模型。

最近，图神经网络显示了建模基于网络的推荐系统中复杂拓扑结构的优势。由于节点之间的各种相互作用以及来自各种类型的节点和边缘的大量语义，因此在多重异质网络中学习表达性节点表示的研究兴趣爆发。推荐系统中最重要的任务之一是预测特定边缘类型下两个节点之间的潜在连接（即关系）。尽管现有的研究利用明确的元数据来汇总邻居，但实际上，它们仅考虑了关系内部的元数据，因此无法通过相互关联信息来利用潜在的提升。此外，在各种关系下，尤其是在越来越多的节点和边缘类型的情况下，全面利用相互关系的元数据并不总是直接的。此外，两个节点之间不同关系的贡献很难衡量。为了应对挑战，我们提出了Hybridgnn，这是一种具有混合聚集流和分层的端到端GNN模型，以在多路复用方案中充分利用异质性。具体而言，Hybridgnn应用了一个随机的关系探索模块来利用不同关系之间的多重性属性。然后，我们的模型利用在关系内的元数据和随机探索下的混合聚集流以学习丰富的语义。为了探索不同聚合流的重要性并利用多重性属性，我们提出了一个新型的分层注意模块，该模块既利用了Metapath级别的注意力和关系级的关注。广泛的实验结果表明，与几个最先进的基线相比，Hybridgnn取得了最佳性能。

现代优化策略，例如进化算法，蚂蚁菌落算法，贝叶斯优化技术等。带有几个参数，可在优化过程中引导其行为。为了获得高性能算法实例，已经开发了自动化算法配置技术。最受欢迎的工具之一是IRACE，它可以评估顺序种族中的配置，利用迭代统计测试来丢弃性能不佳的配置。在比赛结束时，使用贪婪的截断选择，从未丢弃的幸存者配置中选择了一组精英配置。我们研究两种替代选择方法：一种是保持最佳幸存者，并从一组幸存者中随机选择其余配置，而另一个则应用熵以最大程度地提高精英的多样性。这些方法经过测试，用于调整蚂蚁菌落优化算法，以解决旅行销售人员问题以及二次分配问题，并为满足性问题调整精确的树搜索求解器。实验结果表明，与IRACE的默认选择相比，测试的基准测试结果有所改善。此外，获得的结果表明，非专业人士可以获得多种算法配置，这鼓励我们探索更广泛的解决方案以了解算法的行为。

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.

For Prognostics and Health Management (PHM) of Lithium-ion (Li-ion) batteries, many models have been established to characterize their degradation process. The existing empirical or physical models can reveal important information regarding the degradation dynamics. However, there is no general and flexible methods to fuse the information represented by those models. Physics-Informed Neural Network (PINN) is an efficient tool to fuse empirical or physical dynamic models with data-driven models. To take full advantage of various information sources, we propose a model fusion scheme based on PINN. It is implemented by developing a semi-empirical semi-physical Partial Differential Equation (PDE) to model the degradation dynamics of Li-ion-batteries. When there is little prior knowledge about the dynamics, we leverage the data-driven Deep Hidden Physics Model (DeepHPM) to discover the underlying governing dynamic models. The uncovered dynamics information is then fused with that mined by the surrogate neural network in the PINN framework. Moreover, an uncertainty-based adaptive weighting method is employed to balance the multiple learning tasks when training the PINN. The proposed methods are verified on a public dataset of Li-ion Phosphate (LFP)/graphite batteries.

We show for the first time that large-scale generative pretrained transformer (GPT) family models can be pruned to at least 50% sparsity in one-shot, without any retraining, at minimal loss of accuracy. This is achieved via a new pruning method called SparseGPT, specifically designed to work efficiently and accurately on massive GPT-family models. When executing SparseGPT on the largest available open-source models, OPT-175B and BLOOM-176B, we can reach 60% sparsity with negligible increase in perplexity: remarkably, more than 100 billion weights from these models can be ignored at inference time. SparseGPT generalizes to semi-structured (2:4 and 4:8) patterns, and is compatible with weight quantization approaches.

Non-line-of-sight (NLOS) imaging aims to reconstruct the three-dimensional hidden scenes from the data measured in the line-of-sight, which uses photon time-of-flight information encoded in light after multiple diffuse reflections. The under-sampled scanning data can facilitate fast imaging. However, the resulting reconstruction problem becomes a serious ill-posed inverse problem, the solution of which is of high possibility to be degraded due to noises and distortions. In this paper, we propose two novel NLOS reconstruction models based on curvature regularization, i.e., the object-domain curvature regularization model and the dual (i.e., signal and object)-domain curvature regularization model. Fast numerical optimization algorithms are developed relying on the alternating direction method of multipliers (ADMM) with the backtracking stepsize rule, which are further accelerated by GPU implementation. We evaluate the proposed algorithms on both synthetic and real datasets, which achieve state-of-the-art performance, especially in the compressed sensing setting. All our codes and data are available at https://github.com/Duanlab123/CurvNLOS.

Masked image modeling (MIM) has shown great promise for self-supervised learning (SSL) yet been criticized for learning inefficiency. We believe the insufficient utilization of training signals should be responsible. To alleviate this issue, we introduce a conceptually simple yet learning-efficient MIM training scheme, termed Disjoint Masking with Joint Distillation (DMJD). For disjoint masking (DM), we sequentially sample multiple masked views per image in a mini-batch with the disjoint regulation to raise the usage of tokens for reconstruction in each image while keeping the masking rate of each view. For joint distillation (JD), we adopt a dual branch architecture to respectively predict invisible (masked) and visible (unmasked) tokens with superior learning targets. Rooting in orthogonal perspectives for training efficiency improvement, DM and JD cooperatively accelerate the training convergence yet not sacrificing the model generalization ability. Concretely, DM can train ViT with half of the effective training epochs (3.7 times less time-consuming) to report competitive performance. With JD, our DMJD clearly improves the linear probing classification accuracy over ConvMAE by 5.8%. On fine-grained downstream tasks like semantic segmentation, object detection, etc., our DMJD also presents superior generalization compared with state-of-the-art SSL methods. The code and model will be made public at https://github.com/mx-mark/DMJD.