Recent work shows that the expressive power of Graph Neural Networks (GNNs) in distinguishing non-isomorphic graphs is exactly the same as that of the Weisfeiler-Lehman (WL) graph test. In particular, they show that the WL test can be simulated by GNNs. However, those simulations involve neural networks for the 'combine' function of size polynomial or even exponential in the number of graph nodes $n$, as well as feature vectors of length linear in $n$. We present an improved simulation of the WL test on GNNs with \emph{exponentially} lower complexity. In particular, the neural network implementing the combine function in each node has only a polylogarithmic number of parameters in $n$, and the feature vectors exchanged by the nodes of GNN consists of only $O(\log n)$ bits. We also give logarithmic lower bounds for the feature vector length and the size of the neural networks, showing the (near)-optimality of our construction.

数据驱动的算法可以通过从输入的训练样本中学习，可以使其内部结构或参数适应来自未知应用程序特定分布的输入。最近的一些作品将这种方法应用于数值线性代数中的问题，获得了绩效的显着经验增长。然而，尚无理论上的成功解释。在这项工作中，我们证明了这些算法的概括范围，在Gupta和Roughgarden提出的数据驱动算法选择的PAC学习框架内（Sicomp 2017）。我们的主要结果与Indyk等人的基于学习的低级近似算法的脂肪破碎维度紧密匹配（Neurips 2019）。我们的技术是一般的，并为数值线性代数中的许多其他最近提出的数据驱动算法提供了概括，涵盖了基于草图的基于草图的方法和基于多机的方法。这大大扩展了可用的PAC学习分析的数据驱动算法类别。

我们提出了一项合成任务，乐高（学习平等和小组操作），该任务封装了遵循推理链的问题，我们研究了变压器体系结构如何学习这项任务。我们特别注意数据效应，例如预处理（看似无关的NLP任务）和数据集组成（例如，训练和测试时间时的链长度不同），以及体系结构变体，例如重量绑定层或添加卷积组件。我们研究了受过训练的模型最终如何在任务中取得成功，尤其是我们能够在某种程度上（一定程度地）理解一些注意力头以及网络中的信息如何流动。基于这些观察结果，我们提出了一个假设，即在这里进行预训练仅是因为是智能初始化而不是网络中存储的深层知识。我们还观察到，在某些数据制度中，受过训练的变压器发现“快捷方式”解决方案遵循推理链，这阻碍了该模型将其推广到主要任务的简单变体的能力，而且我们发现人们可以防止适当的快捷方式架构修改或仔细的数据准备。在我们的发现的激励下，我们开始探索学习执行C程序的任务，在此过程中，对变压器进行了卷积修改，即在密钥/查询/值图中添加卷积结构，显示出令人鼓舞的优势。

深度学习（DL）模型为各种医学成像基准挑战提供了最先进的性能，包括脑肿瘤细分（BRATS）挑战。然而，局灶性病理多隔室分割（例如，肿瘤和病变子区）的任务特别具有挑战性，并且潜在的错误阻碍DL模型转化为临床工作流程。量化不确定形式的DL模型预测的可靠性，可以实现最不确定的地区的临床审查，从而建立信任并铺平临床翻译。最近，已经引入了许多不确定性估计方法，用于DL医学图像分割任务。开发指标评估和比较不确定性措施的表现将有助于最终用户制定更明智的决策。在本研究中，我们探索并评估在Brats 2019-2020任务期间开发的公制，以对不确定量化量化（Qu-Brats），并旨在评估和排列脑肿瘤多隔室分割的不确定性估计。该公制（1）奖励不确定性估计，对正确断言产生高置信度，以及在不正确的断言处分配低置信水平的估计数，（2）惩罚导致更高百分比的无关正确断言百分比的不确定性措施。我们进一步基准测试由14个独立参与的Qu-Brats 2020的分割不确定性，所有这些都参与了主要的Brats细分任务。总体而言，我们的研究结果证实了不确定性估计提供了分割算法的重要性和互补价值，因此突出了医学图像分析中不确定性量化的需求。我们的评估代码在HTTPS://github.com/ragmeh11/qu-brats公开提供。

As the accuracy of machine learning models increases at a fast rate, so does their demand for energy and compute resources. On a low level, the major part of these resources is consumed by data movement between different memory units. Modern hardware architectures contain a form of fast memory (e.g., cache, registers), which is small, and a slow memory (e.g., DRAM), which is larger but expensive to access. We can only process data that is stored in fast memory, which incurs data movement (input/output-operations, or I/Os) between the two units. In this paper, we provide a rigorous theoretical analysis of the I/Os needed in sparse feedforward neural network (FFNN) inference. We establish bounds that determine the optimal number of I/Os up to a factor of 2 and present a method that uses a number of I/Os within that range. Much of the I/O-complexity is determined by a few high-level properties of the FFNN (number of inputs, outputs, neurons, and connections), but if we want to get closer to the exact lower bound, the instance-specific sparsity patterns need to be considered. Departing from the 2-optimal computation strategy, we show how to reduce the number of I/Os further with simulated annealing. Complementing this result, we provide an algorithm that constructively generates networks with maximum I/O-efficiency for inference. We test the algorithms and empirically verify our theoretical and algorithmic contributions. In our experiments on real hardware we observe speedups of up to 45$\times$ relative to the standard way of performing inference.

Machine learning models are typically evaluated by computing similarity with reference annotations and trained by maximizing similarity with such. Especially in the bio-medical domain, annotations are subjective and suffer from low inter- and intra-rater reliability. Since annotations only reflect the annotation entity's interpretation of the real world, this can lead to sub-optimal predictions even though the model achieves high similarity scores. Here, the theoretical concept of Peak Ground Truth (PGT) is introduced. PGT marks the point beyond which an increase in similarity with the reference annotation stops translating to better Real World Model Performance (RWMP). Additionally, a quantitative technique to approximate PGT by computing inter- and intra-rater reliability is proposed. Finally, three categories of PGT-aware strategies to evaluate and improve model performance are reviewed.

Prior works on improving speech quality with visual input typically study each type of auditory distortion separately (e.g., separation, inpainting, video-to-speech) and present tailored algorithms. This paper proposes to unify these subjects and study Generalized Speech Enhancement, where the goal is not to reconstruct the exact reference clean signal, but to focus on improving certain aspects of speech. In particular, this paper concerns intelligibility, quality, and video synchronization. We cast the problem as audio-visual speech resynthesis, which is composed of two steps: pseudo audio-visual speech recognition (P-AVSR) and pseudo text-to-speech synthesis (P-TTS). P-AVSR and P-TTS are connected by discrete units derived from a self-supervised speech model. Moreover, we utilize self-supervised audio-visual speech model to initialize P-AVSR. The proposed model is coined ReVISE. ReVISE is the first high-quality model for in-the-wild video-to-speech synthesis and achieves superior performance on all LRS3 audio-visual enhancement tasks with a single model. To demonstrates its applicability in the real world, ReVISE is also evaluated on EasyCom, an audio-visual benchmark collected under challenging acoustic conditions with only 1.6 hours of training data. Similarly, ReVISE greatly suppresses noise and improves quality. Project page: https://wnhsu.github.io/ReVISE.

Human linguistic capacity is often characterized by compositionality and the generalization it enables -- human learners can produce and comprehend novel complex expressions by composing known parts. Several benchmarks exploit distributional control across training and test to gauge compositional generalization, where certain lexical items only occur in limited contexts during training. While recent work using these benchmarks suggests that pretrained models achieve impressive generalization performance, we argue that exposure to pretraining data may break the aforementioned distributional control. Using the COGS benchmark of Kim and Linzen (2020), we test two modified evaluation setups that control for this issue: (1) substituting context-controlled lexical items with novel character sequences, and (2) substituting them with special tokens represented by novel embeddings. We find that both of these setups lead to lower generalization performance in T5 (Raffel et al., 2020), suggesting that previously reported results have been overestimated due to uncontrolled lexical exposure during pretraining. The performance degradation is more extreme with novel embeddings, and the degradation increases with the amount of pretraining data, highlighting an interesting case of inverse scaling.

The widely studied task of Natural Language Inference (NLI) requires a system to recognize whether one piece of text is textually entailed by another, i.e. whether the entirety of its meaning can be inferred from the other. In current NLI datasets and models, textual entailment relations are typically defined on the sentence- or paragraph-level. However, even a simple sentence often contains multiple propositions, i.e. distinct units of meaning conveyed by the sentence. As these propositions can carry different truth values in the context of a given premise, we argue for the need to recognize the textual entailment relation of each proposition in a sentence individually. We propose PropSegmEnt, a corpus of over 35K propositions annotated by expert human raters. Our dataset structure resembles the tasks of (1) segmenting sentences within a document to the set of propositions, and (2) classifying the entailment relation of each proposition with respect to a different yet topically-aligned document, i.e. documents describing the same event or entity. We establish strong baselines for the segmentation and entailment tasks. Through case studies on summary hallucination detection and document-level NLI, we demonstrate that our conceptual framework is potentially useful for understanding and explaining the compositionality of NLI labels.

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.