Adverse events are a serious issue in drug development and many prediction methods using machine learning have been developed. The random split cross-validation is the de facto standard for model building and evaluation in machine learning, but care should be taken in adverse event prediction because this approach does not match to the real-world situation. The time split, which uses the time axis, is considered suitable for real-world prediction. However, the differences in model performance obtained using the time and random splits are not clear due to the lack of the comparable studies. To understand the differences, we compared the model performance between the time and random splits using nine types of compound information as input, eight adverse events as targets, and six machine learning algorithms. The random split showed higher area under the curve values than did the time split for six of eight targets. The chemical spaces of the training and test datasets of the time split were similar, suggesting that the concept of applicability domain is insufficient to explain the differences derived from the splitting. The area under the curve differences were smaller for the protein interaction than for the other datasets. Subsequent detailed analyses suggested the danger of confounding in the use of knowledge-based information in the time split. These findings indicate the importance of understanding the differences between the time and random splits in adverse event prediction and strongly suggest that appropriate use of the splitting strategies and interpretation of results are necessary for the real-world prediction of adverse events. We provide analysis code and datasets used in the present study (https://github.com/mizuno-group/AE_prediction).

We examine federated learning (FL) with over-the-air (OTA) aggregation, where mobile users (MUs) aim to reach a consensus on a global model with the help of a parameter server (PS) that aggregates the local gradients. In OTA FL, MUs train their models using local data at every training round and transmit their gradients simultaneously using the same frequency band in an uncoded fashion. Based on the received signal of the superposed gradients, the PS performs a global model update. While the OTA FL has a significantly decreased communication cost, it is susceptible to adverse channel effects and noise. Employing multiple antennas at the receiver side can reduce these effects, yet the path-loss is still a limiting factor for users located far away from the PS. To ameliorate this issue, in this paper, we propose a wireless-based hierarchical FL scheme that uses intermediate servers (ISs) to form clusters at the areas where the MUs are more densely located. Our scheme utilizes OTA cluster aggregations for the communication of the MUs with their corresponding IS, and OTA global aggregations from the ISs to the PS. We present a convergence analysis for the proposed algorithm, and show through numerical evaluations of the derived analytical expressions and experimental results that utilizing ISs results in a faster convergence and a better performance than the OTA FL alone while using less transmit power. We also validate the results on the performance using different number of cluster iterations with different datasets and data distributions. We conclude that the best choice of cluster aggregations depends on the data distribution among the MUs and the clusters.

Pre-trained encoders are general-purpose feature extractors that can be used for many downstream tasks. Recent progress in self-supervised learning can pre-train highly effective encoders using a large volume of unlabeled data, leading to the emerging encoder as a service (EaaS). A pre-trained encoder may be deemed confidential because its training requires lots of data and computation resources as well as its public release may facilitate misuse of AI, e.g., for deepfakes generation. In this paper, we propose the first attack called StolenEncoder to steal pre-trained image encoders. We evaluate StolenEncoder on multiple target encoders pre-trained by ourselves and three real-world target encoders including the ImageNet encoder pre-trained by Google, CLIP encoder pre-trained by OpenAI, and Clarifai's General Embedding encoder deployed as a paid EaaS. Our results show that our stolen encoders have similar functionality with the target encoders. In particular, the downstream classifiers built upon a target encoder and a stolen one have similar accuracy. Moreover, stealing a target encoder using StolenEncoder requires much less data and computation resources than pre-training it from scratch. We also explore three defenses that perturb feature vectors produced by a target encoder. Our results show these defenses are not enough to mitigate StolenEncoder.

Monitoring the behavior of automated real-time stream processing systems has become one of the most relevant problems in real world applications. Such systems have grown in complexity relying heavily on high dimensional input data, and data hungry Machine Learning (ML) algorithms. We propose a flexible system, Feature Monitoring (FM), that detects data drifts in such data sets, with a small and constant memory footprint and a small computational cost in streaming applications. The method is based on a multi-variate statistical test and is data driven by design (full reference distributions are estimated from the data). It monitors all features that are used by the system, while providing an interpretable features ranking whenever an alarm occurs (to aid in root cause analysis). The computational and memory lightness of the system results from the use of Exponential Moving Histograms. In our experimental study, we analyze the system's behavior with its parameters and, more importantly, show examples where it detects problems that are not directly related to a single feature. This illustrates how FM eliminates the need to add custom signals to detect specific types of problems and that monitoring the available space of features is often enough.

Federated learning (FL) and split learning (SL) are two emerging collaborative learning methods that may greatly facilitate ubiquitous intelligence in Internet of Things (IoT). Federated learning enables machine learning (ML) models locally trained using private data to be aggregated into a global model. Split learning allows different portions of an ML model to be collaboratively trained on different workers in a learning framework. Federated learning and split learning, each has unique advantages and respective limitations, may complement each other toward ubiquitous intelligence in IoT. Therefore, combination of federated learning and split learning recently became an active research area attracting extensive interest. In this article, we review the latest developments in federated learning and split learning and present a survey on the state-of-the-art technologies for combining these two learning methods in an edge computing-based IoT environment. We also identify some open problems and discuss possible directions for future research in this area with a hope to further arouse the research community's interest in this emerging field.

Estimating the Generalization Error (GE) of Deep Neural Networks (DNNs) is an important task that often relies on availability of held-out data. The ability to better predict GE based on a single training set may yield overarching DNN design principles to reduce a reliance on trial-and-error, along with other performance assessment advantages. In search of a quantity relevant to GE, we investigate the Mutual Information (MI) between the input and final layer representations, using the infinite-width DNN limit to bound MI. An existing input compression-based GE bound is used to link MI and GE. To the best of our knowledge, this represents the first empirical study of this bound. In our attempt to empirically falsify the theoretical bound, we find that it is often tight for best-performing models. Furthermore, it detects randomization of training labels in many cases, reflects test-time perturbation robustness, and works well given only few training samples. These results are promising given that input compression is broadly applicable where MI can be estimated with confidence.

Joint time-frequency scattering (JTFS) is a convolutional operator in the time-frequency domain which extracts spectrotemporal modulations at various rates and scales. It offers an idealized model of spectrotemporal receptive fields (STRF) in the primary auditory cortex, and thus may serve as a biological plausible surrogate for human perceptual judgments at the scale of isolated audio events. Yet, prior implementations of JTFS and STRF have remained outside of the standard toolkit of perceptual similarity measures and evaluation methods for audio generation. We trace this issue down to three limitations: differentiability, speed, and flexibility. In this paper, we present an implementation of time-frequency scattering in Python. Unlike prior implementations, ours accommodates NumPy, PyTorch, and TensorFlow as backends and is thus portable on both CPU and GPU. We demonstrate the usefulness of JTFS via three applications: unsupervised manifold learning of spectrotemporal modulations, supervised classification of musical instruments, and texture resynthesis of bioacoustic sounds.

5G edge computing enabled Internet of Medical Things (IoMT) is an efficient technology to provide decentralized medical services while Device-to-device (D2D) communication is a promising paradigm for future 5G networks. To assure secure and reliable communication in 5G edge computing and D2D enabled IoMT systems, this paper presents an intelligent trust cloud management method. Firstly, an active training mechanism is proposed to construct the standard trust clouds. Secondly, individual trust clouds of the IoMT devices can be established through fuzzy trust inferring and recommending. Thirdly, a trust classification scheme is proposed to determine whether an IoMT device is malicious. Finally, a trust cloud update mechanism is presented to make the proposed trust management method adaptive and intelligent under an open wireless medium. Simulation results demonstrate that the proposed method can effectively address the trust uncertainty issue and improve the detection accuracy of malicious devices.

With the increasing abundance of pretrained models in recent years, the problem of selecting the best pretrained checkpoint for a particular downstream classification task has been gaining increased attention. Although several methods have recently been proposed to tackle the selection problem (e.g. LEEP, H-score), these methods resort to applying heuristics that are not well motivated by learning theory. In this paper we present PACTran, a theoretically grounded family of metrics for pretrained model selection and transferability measurement. We first show how to derive PACTran metrics from the optimal PAC-Bayesian bound under the transfer learning setting. We then empirically evaluate three metric instantiations of PACTran on a number of vision tasks (VTAB) as well as a language-and-vision (OKVQA) task. An analysis of the results shows PACTran is a more consistent and effective transferability measure compared to existing selection methods.

Although a plethora of architectural variants for deep classification has been introduced over time, recent works have found empirical evidence towards similarities in their training process. It has been hypothesized that neural networks converge not only to similar representations, but also exhibit a notion of empirical agreement on which data instances are learned first. Following in the latter works$'$ footsteps, we define a metric to quantify the relationship between such classification agreement over time, and posit that the agreement phenomenon can be mapped to core statistics of the investigated dataset. We empirically corroborate this hypothesis across the CIFAR10, Pascal, ImageNet and KTH-TIPS2 datasets. Our findings indicate that agreement seems to be independent of specific architectures, training hyper-parameters or labels, albeit follows an ordering according to image statistics.