Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with ever-increasing complexity has resulted in exponential growth in computation cost, leading to long simulation time and high energy consumption. Photonic chip technology offers an alternative platform for implementing neural networks with faster data processing and lower energy usage compared to digital computers. Photonics technology is naturally capable of implementing complex-valued neural networks at no additional hardware cost. Here, we demonstrate the capability of photonic neural networks for predicting the quantum mechanical properties of molecules. To the best of our knowledge, this work is the first to harness photonic technology for machine learning applications in computational chemistry and molecular sciences, such as drug discovery and materials design. We further show that multiple properties can be learned simultaneously in a photonic chip via a multi-task regression learning algorithm, which is also the first of its kind as well, as most previous works focus on implementing a network in the classification task.

Nonlinear mapping is an essential and common demand in online systems, such as sensor systems and mobile phones. Accelerating nonlinear mapping will directly speed up online systems. Previously the authors of this paper proposed a Dendrite Net (DD) with enormously lower time complexity than the existing nonlinear mapping algorithms; however, there still are redundant calculations in DD. This paper presents a DD with an acceleration module (AC) to accelerate nonlinear mapping further. We conduct three experiments to verify whether DD with AC has lower time complexity while retaining DD's nonlinear mapping properties and system identification properties: The first experiment is the precision and identification of unary nonlinear mapping, reflecting the calculation performance using DD with AC for basic functions in online systems. The second experiment is the mapping precision and identification of the multi-input nonlinear system, reflecting the performance for designing online systems via DD with AC. Finally, this paper compares the time complexity of DD and DD with AC and analyzes the theoretical reasons through repeated experiments. Results: DD with AC retains DD's excellent mapping and identification properties and has lower time complexity. Significance: DD with AC can be used for most engineering systems, such as sensor systems, and will speed up computation in these online systems. The code of DD with AC is available on https://github.com/liugang1234567/Gang-neuron

In this paper we explore the task of modeling (semi) structured object sequences; in particular we focus our attention on the problem of developing a structure-aware input representation for such sequences. In such sequences, we assume that each structured object is represented by a set of key-value pairs which encode the attributes of the structured object. Given a universe of keys, a sequence of structured objects can then be viewed as an evolution of the values for each key, over time. We encode and construct a sequential representation using the values for a particular key (Temporal Value Modeling - TVM) and then self-attend over the set of key-conditioned value sequences to a create a representation of the structured object sequence (Key Aggregation - KA). We pre-train and fine-tune the two components independently and present an innovative training schedule that interleaves the training of both modules with shared attention heads. We find that this iterative two part-training results in better performance than a unified network with hierarchical encoding as well as over, other methods that use a {\em record-view} representation of the sequence \cite{de2021transformers4rec} or a simple {\em flattened} representation of the sequence. We conduct experiments using real-world data to demonstrate the advantage of interleaving TVM-KA on multiple tasks and detailed ablation studies motivating our modeling choices. We find that our approach performs better than flattening sequence objects and also allows us to operate on significantly larger sequences than existing methods.

Face Anti-spoofing (FAS) is essential to secure face recognition systems from various physical attacks. However, recent research generally focuses on short-distance applications (i.e., phone unlocking) while lacking consideration of long-distance scenes (i.e., surveillance security checks). In order to promote relevant research and fill this gap in the community, we collect a large-scale Surveillance High-Fidelity Mask (SuHiFiMask) dataset captured under 40 surveillance scenes, which has 101 subjects from different age groups with 232 3D attacks (high-fidelity masks), 200 2D attacks (posters, portraits, and screens), and 2 adversarial attacks. In this scene, low image resolution and noise interference are new challenges faced in surveillance FAS. Together with the SuHiFiMask dataset, we propose a Contrastive Quality-Invariance Learning (CQIL) network to alleviate the performance degradation caused by image quality from three aspects: (1) An Image Quality Variable module (IQV) is introduced to recover image information associated with discrimination by combining the super-resolution network. (2) Using generated sample pairs to simulate quality variance distributions to help contrastive learning strategies obtain robust feature representation under quality variation. (3) A Separate Quality Network (SQN) is designed to learn discriminative features independent of image quality. Finally, a large number of experiments verify the quality of the SuHiFiMask dataset and the superiority of the proposed CQIL.

Temporal sentence grounding (TSG) aims to identify the temporal boundary of a specific segment from an untrimmed video by a sentence query. All existing works first utilize a sparse sampling strategy to extract a fixed number of video frames and then conduct multi-modal interactions with query sentence for reasoning. However, we argue that these methods have overlooked two indispensable issues: 1) Boundary-bias: The annotated target segment generally refers to two specific frames as corresponding start and end timestamps. The video downsampling process may lose these two frames and take the adjacent irrelevant frames as new boundaries. 2) Reasoning-bias: Such incorrect new boundary frames also lead to the reasoning bias during frame-query interaction, reducing the generalization ability of model. To alleviate above limitations, in this paper, we propose a novel Siamese Sampling and Reasoning Network (SSRN) for TSG, which introduces a siamese sampling mechanism to generate additional contextual frames to enrich and refine the new boundaries. Specifically, a reasoning strategy is developed to learn the inter-relationship among these frames and generate soft labels on boundaries for more accurate frame-query reasoning. Such mechanism is also able to supplement the absent consecutive visual semantics to the sampled sparse frames for fine-grained activity understanding. Extensive experiments demonstrate the effectiveness of SSRN on three challenging datasets.

Existing federated classification algorithms typically assume the local annotations at every client cover the same set of classes. In this paper, we aim to lift such an assumption and focus on a more general yet practical non-IID setting where every client can work on non-identical and even disjoint sets of classes (i.e., client-exclusive classes), and the clients have a common goal which is to build a global classification model to identify the union of these classes. Such heterogeneity in client class sets poses a new challenge: how to ensure different clients are operating in the same latent space so as to avoid the drift after aggregation? We observe that the classes can be described in natural languages (i.e., class names) and these names are typically safe to share with all parties. Thus, we formulate the classification problem as a matching process between data representations and class representations and break the classification model into a data encoder and a label encoder. We leverage the natural-language class names as the common ground to anchor the class representations in the label encoder. In each iteration, the label encoder updates the class representations and regulates the data representations through matching. We further use the updated class representations at each round to annotate data samples for locally-unaware classes according to similarity and distill knowledge to local models. Extensive experiments on four real-world datasets show that the proposed method can outperform various classical and state-of-the-art federated learning methods designed for learning with non-IID data.

This is paper for the smooth function approximation by neural networks (NN). Mathematical or physical functions can be replaced by NN models through regression. In this study, we get NNs that generate highly accurate and highly smooth function, which only comprised of a few weight parameters, through discussing a few topics about regression. First, we reinterpret inside of NNs for regression; consequently, we propose a new activation function--integrated sigmoid linear unit (ISLU). Then special charateristics of metadata for regression, which is different from other data like image or sound, is discussed for improving the performance of neural networks. Finally, the one of a simple hierarchical NN that generate models substituting mathematical function is presented, and the new batch concept ``meta-batch" which improves the performance of NN several times more is introduced. The new activation function, meta-batch method, features of numerical data, meta-augmentation with metaparameters, and a structure of NN generating a compact multi-layer perceptron(MLP) are essential in this study.

Unlike traditional distributed machine learning, federated learning stores data locally for training and then aggregates the models on the server, which solves the data security problem that may arise in traditional distributed machine learning. However, during the training process, the transmission of model parameters can impose a significant load on the network bandwidth. It has been pointed out that the vast majority of model parameters are redundant during model parameter transmission. In this paper, we explore the data distribution law of selected partial model parameters on this basis, and propose a deep hierarchical quantization compression algorithm, which further compresses the model and reduces the network load brought by data transmission through the hierarchical quantization of model parameters. And we adopt a dynamic sampling strategy for the selection of clients to accelerate the convergence of the model. Experimental results on different public datasets demonstrate the effectiveness of our algorithm.

Detecting abrupt changes in data distribution is one of the most significant tasks in streaming data analysis. Although many unsupervised Change-Point Detection (CPD) methods have been proposed recently to identify those changes, they still suffer from missing subtle changes, poor scalability, or/and sensitive to noise points. To meet these challenges, we are the first to generalise the CPD problem as a special case of the Change-Interval Detection (CID) problem. Then we propose a CID method, named iCID, based on a recent Isolation Distributional Kernel (IDK). iCID identifies the change interval if there is a high dissimilarity score between two non-homogeneous temporal adjacent intervals. The data-dependent property and finite feature map of IDK enabled iCID to efficiently identify various types of change points in data streams with the tolerance of noise points. Moreover, the proposed online and offline versions of iCID have the ability to optimise key parameter settings. The effectiveness and efficiency of iCID have been systematically verified on both synthetic and real-world datasets.

Time-series anomaly detection is an important task and has been widely applied in the industry. Since manual data annotation is expensive and inefficient, most applications adopt unsupervised anomaly detection methods, but the results are usually sub-optimal and unsatisfactory to end customers. Weak supervision is a promising paradigm for obtaining considerable labels in a low-cost way, which enables the customers to label data by writing heuristic rules rather than annotating each instance individually. However, in the time-series domain, it is hard for people to write reasonable labeling functions as the time-series data is numerically continuous and difficult to be understood. In this paper, we propose a Label-Efficient Interactive Time-Series Anomaly Detection (LEIAD) system, which enables a user to improve the results of unsupervised anomaly detection by performing only a small amount of interactions with the system. To achieve this goal, the system integrates weak supervision and active learning collaboratively while generating labeling functions automatically using only a few labeled data. All of these techniques are complementary and can promote each other in a reinforced manner. We conduct experiments on three time-series anomaly detection datasets, demonstrating that the proposed system is superior to existing solutions in both weak supervision and active learning areas. Also, the system has been tested in a real scenario in industry to show its practicality.