核磁共振（NMR）光谱是结构生物学的主要技术之一，蛋白质数据库中沉积了11,800多个蛋白质结构。 NMR可以阐明溶液，活细胞和固体中中小型蛋白质的结构和动力学，但受到乏味的数据分析过程的限制。通常，它需要训练有素的专家进行数周或数月的手动工作，以将NMR测量变成蛋白质结构。该过程的自动化是一个空旷的问题，在30年前在该领域中提出。在这里，我们提出了解决这一挑战的解决方案，该解决方案可以在完成测量后几小时内对蛋白质NMR数据进行完全自动化的分析。仅使用NMR光谱和蛋白质序列作为输入，我们的基于机器学习的方法，Artina，可严格地提供信号位置，共振分配和结构，而无需任何人类干预。 Artina在包含1329个多维NMR光谱的100个蛋白基准测试中进行了测试，展示了其以1.44 {\ aa}中位数RMSD求解结构的能力，并识别91.36％的正确NMR共振分配。非专家可以使用Artina，从而减少了NMR的蛋白质分配或结构确定的努力，从而基本上是在样品的制备和光谱测量中进行的。

Audio DeepFakes are artificially generated utterances created using deep learning methods with the main aim to fool the listeners, most of such audio is highly convincing. Their quality is sufficient to pose a serious threat in terms of security and privacy, such as the reliability of news or defamation. To prevent the threats, multiple neural networks-based methods to detect generated speech have been proposed. In this work, we cover the topic of adversarial attacks, which decrease the performance of detectors by adding superficial (difficult to spot by a human) changes to input data. Our contribution contains evaluating the robustness of 3 detection architectures against adversarial attacks in two scenarios (white-box and using transferability mechanism) and enhancing it later by the use of adversarial training performed by our novel adaptive training method.

This short report reviews the current state of the research and methodology on theoretical and practical aspects of Artificial Neural Networks (ANN). It was prepared to gather state-of-the-art knowledge needed to construct complex, hypercomplex and fuzzy neural networks. The report reflects the individual interests of the authors and, by now means, cannot be treated as a comprehensive review of the ANN discipline. Considering the fast development of this field, it is currently impossible to do a detailed review of a considerable number of pages. The report is an outcome of the Project 'The Strategic Research Partnership for the mathematical aspects of complex, hypercomplex and fuzzy neural networks' meeting at the University of Warmia and Mazury in Olsztyn, Poland, organized in September 2022.

This paper presents the Crowd Score, a novel method to assess the funniness of jokes using large language models (LLMs) as AI judges. Our method relies on inducing different personalities into the LLM and aggregating the votes of the AI judges into a single score to rate jokes. We validate the votes using an auditing technique that checks if the explanation for a particular vote is reasonable using the LLM. We tested our methodology on 52 jokes in a crowd of four AI voters with different humour types: affiliative, self-enhancing, aggressive and self-defeating. Our results show that few-shot prompting leads to better results than zero-shot for the voting question. Personality induction showed that aggressive and self-defeating voters are significantly more inclined to find more jokes funny of a set of aggressive/self-defeating jokes than the affiliative and self-enhancing voters. The Crowd Score follows the same trend as human judges by assigning higher scores to jokes that are also considered funnier by human judges. We believe that our methodology could be applied to other creative domains such as story, poetry, slogans, etc. It could both help the adoption of a flexible and accurate standard approach to compare different work in the CC community under a common metric and by minimizing human participation in assessing creative artefacts, it could accelerate the prototyping of creative artefacts and reduce the cost of hiring human participants to rate creative artefacts.

Recently proposed systems for open-domain question answering (OpenQA) require large amounts of training data to achieve state-of-the-art performance. However, data annotation is known to be time-consuming and therefore expensive to acquire. As a result, the appropriate datasets are available only for a handful of languages (mainly English and Chinese). In this work, we introduce and publicly release PolQA, the first Polish dataset for OpenQA. It consists of 7,000 questions, 87,525 manually labeled evidence passages, and a corpus of over 7,097,322 candidate passages. Each question is classified according to its formulation, type, as well as entity type of the answer. This resource allows us to evaluate the impact of different annotation choices on the performance of the QA system and propose an efficient annotation strategy that increases the passage retrieval performance by 10.55 p.p. while reducing the annotation cost by 82%.

We apply the Hierarchical Autoregressive Neural (HAN) network sampling algorithm to the two-dimensional $Q$-state Potts model and perform simulations around the phase transition at $Q=12$. We quantify the performance of the approach in the vicinity of the first-order phase transition and compare it with that of the Wolff cluster algorithm. We find a significant improvement as far as the statistical uncertainty is concerned at a similar numerical effort. In order to efficiently train large neural networks we introduce the technique of pre-training. It allows to train some neural networks using smaller system sizes and then employing them as starting configurations for larger system sizes. This is possible due to the recursive construction of our hierarchical approach. Our results serve as a demonstration of the performance of the hierarchical approach for systems exhibiting bimodal distributions. Additionally, we provide estimates of the free energy and entropy in the vicinity of the phase transition with statistical uncertainties of the order of $10^{-7}$ for the former and $10^{-3}$ for the latter based on a statistics of $10^6$ configurations.

We introduce submodel co-training, a regularization method related to co-training, self-distillation and stochastic depth. Given a neural network to be trained, for each sample we implicitly instantiate two altered networks, ``submodels'', with stochastic depth: we activate only a subset of the layers. Each network serves as a soft teacher to the other, by providing a loss that complements the regular loss provided by the one-hot label. Our approach, dubbed cosub, uses a single set of weights, and does not involve a pre-trained external model or temporal averaging. Experimentally, we show that submodel co-training is effective to train backbones for recognition tasks such as image classification and semantic segmentation. Our approach is compatible with multiple architectures, including RegNet, ViT, PiT, XCiT, Swin and ConvNext. Our training strategy improves their results in comparable settings. For instance, a ViT-B pretrained with cosub on ImageNet-21k obtains 87.4% top-1 acc. @448 on ImageNet-val.

Although augmentations (e.g., perturbation of graph edges, image crops) boost the efficiency of Contrastive Learning (CL), feature level augmentation is another plausible, complementary yet not well researched strategy. Thus, we present a novel spectral feature argumentation for contrastive learning on graphs (and images). To this end, for each data view, we estimate a low-rank approximation per feature map and subtract that approximation from the map to obtain its complement. This is achieved by the proposed herein incomplete power iteration, a non-standard power iteration regime which enjoys two valuable byproducts (under mere one or two iterations): (i) it partially balances spectrum of the feature map, and (ii) it injects the noise into rebalanced singular values of the feature map (spectral augmentation). For two views, we align these rebalanced feature maps as such an improved alignment step can focus more on less dominant singular values of matrices of both views, whereas the spectral augmentation does not affect the spectral angle alignment (singular vectors are not perturbed). We derive the analytical form for: (i) the incomplete power iteration to capture its spectrum-balancing effect, and (ii) the variance of singular values augmented implicitly by the noise. We also show that the spectral augmentation improves the generalization bound. Experiments on graph/image datasets show that our spectral feature augmentation outperforms baselines, and is complementary with other augmentation strategies and compatible with various contrastive losses.

Kernel matrices, as well as weighted graphs represented by them, are ubiquitous objects in machine learning, statistics and other related fields. The main drawback of using kernel methods (learning and inference using kernel matrices) is efficiency -- given $n$ input points, most kernel-based algorithms need to materialize the full $n \times n$ kernel matrix before performing any subsequent computation, thus incurring $\Omega(n^2)$ runtime. Breaking this quadratic barrier for various problems has therefore, been a subject of extensive research efforts. We break the quadratic barrier and obtain $\textit{subquadratic}$ time algorithms for several fundamental linear-algebraic and graph processing primitives, including approximating the top eigenvalue and eigenvector, spectral sparsification, solving linear systems, local clustering, low-rank approximation, arboricity estimation and counting weighted triangles. We build on the recent Kernel Density Estimation framework, which (after preprocessing in time subquadratic in $n$) can return estimates of row/column sums of the kernel matrix. In particular, we develop efficient reductions from $\textit{weighted vertex}$ and $\textit{weighted edge sampling}$ on kernel graphs, $\textit{simulating random walks}$ on kernel graphs, and $\textit{importance sampling}$ on matrices to Kernel Density Estimation and show that we can generate samples from these distributions in $\textit{sublinear}$ (in the support of the distribution) time. Our reductions are the central ingredient in each of our applications and we believe they may be of independent interest. We empirically demonstrate the efficacy of our algorithms on low-rank approximation (LRA) and spectral sparsification, where we observe a $\textbf{9x}$ decrease in the number of kernel evaluations over baselines for LRA and a $\textbf{41x}$ reduction in the graph size for spectral sparsification.

The outbreak of the SARS-CoV-2 pandemic has put healthcare systems worldwide to their limits, resulting in increased waiting time for diagnosis and required medical assistance. With chest radiographs (CXR) being one of the most common COVID-19 diagnosis methods, many artificial intelligence tools for image-based COVID-19 detection have been developed, often trained on a small number of images from COVID-19-positive patients. Thus, the need for high-quality and well-annotated CXR image databases increased. This paper introduces POLCOVID dataset, containing chest X-ray (CXR) images of patients with COVID-19 or other-type pneumonia, and healthy individuals gathered from 15 Polish hospitals. The original radiographs are accompanied by the preprocessed images limited to the lung area and the corresponding lung masks obtained with the segmentation model. Moreover, the manually created lung masks are provided for a part of POLCOVID dataset and the other four publicly available CXR image collections. POLCOVID dataset can help in pneumonia or COVID-19 diagnosis, while the set of matched images and lung masks may serve for the development of lung segmentation solutions.