MolSets: Molecular Graph Deep Sets Learning for Mixture Property Modeling

Recent advances in machine learning (ML) have expedited materials discovery and design. One significant challenge faced in ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here we present MolSets, a specialized ML model for molecular mixtures. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecule level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in virtual screening of the combinatorial chemical space.

Professional Network Matters: Connections Empower Person-Job Fit

Online recruitment platforms typically employ Person-Job Fit models in the core service that automatically match suitable job seekers with appropriate job positions. While existing works leverage historical or contextual information, they often disregard a crucial aspect: job seekers' social relationships in professional networks. This paper emphasizes the importance of incorporating professional networks into the Person-Job Fit model. Our innovative approach consists of two stages: (1) defining a Workplace Heterogeneous Information Network (WHIN) to capture heterogeneous knowledge, including professional connections and pre-training representations of various entities using a heterogeneous graph neural network; (2) designing a Contextual Social Attention Graph Neural Network (CSAGNN) that supplements users' missing information with professional connections' contextual information. We introduce a job-specific attention mechanism in CSAGNN to handle noisy professional networks, leveraging pre-trained entity representations from WHIN. We demonstrate the effectiveness of our approach through experimental evaluations conducted across three real-world recruitment datasets from LinkedIn, showing superior performance compared to baseline models.

Progressive Evolution from Single-Point to Polygon for Scene Text

The advancement of text shape representations towards compactness has enhanced text detection and spotting performance, but at a high annotation cost. Current models use single-point annotations to reduce costs, yet they lack sufficient localization information for downstream applications. To overcome this limitation, we introduce Point2Polygon, which can efficiently transform single-points into compact polygons. Our method uses a coarse-to-fine process, starting with creating and selecting anchor points based on recognition confidence, then vertically and horizontally refining the polygon using recognition information to optimize its shape. We demonstrate the accuracy of the generated polygons through extensive experiments: 1) By creating polygons from ground truth points, we achieved an accuracy of 82.0% on ICDAR 2015; 2) In training detectors with polygons generated by our method, we attained 86% of the accuracy relative to training with ground truth (GT); 3) Additionally, the proposed Point2Polygon can be seamlessly integrated to empower single-point spotters to generate polygons. This integration led to an impressive 82.5% accuracy for the generated polygons. It is worth mentioning that our method relies solely on synthetic recognition information, eliminating the need for any manual annotation beyond single points.

An Empirical Study on Compliance with Ranking Transparency in the Software Documentation of EU Online Platforms

Compliance with the European Union's Platform-to-Business (P2B) Regulation is challenging for online platforms, and assessing their compliance can be difficult for public authorities. This is partly due to the lack of automated tools for assessing the information (e.g., software documentation) platforms provide concerning ranking transparency. Our study tackles this issue in two ways. First, we empirically evaluate the compliance of six major platforms (Amazon, Bing, Booking, Google, Tripadvisor, and Yahoo), revealing substantial differences in their documentation. Second, we introduce and test automated compliance assessment tools based on ChatGPT and information retrieval technology. These tools are evaluated against human judgments, showing promising results as reliable proxies for compliance assessments. Our findings could help enhance regulatory compliance and align with the United Nations Sustainable Development Goal 10.3, which seeks to reduce inequality, including business disparities, on these platforms.

Towards Robust Multimodal Prompting With Missing Modalities

Recently, multimodal prompting, which introduces learnable missing-aware prompts for all missing modality cases, has exhibited impressive performance. However, it encounters two critical issues: 1) The number of prompts grows exponentially as the number of modalities increases; and 2) It lacks robustness in scenarios with different missing modality settings between training and inference. In this paper, we propose a simple yet effective prompt design to address these challenges. Instead of using missing-aware prompts, we utilize prompts as modality-specific tokens, enabling them to capture the unique characteristics of each modality. Furthermore, our prompt design leverages orthogonality between prompts as a key element to learn distinct information across different modalities and promote diversity in the learned representations. Extensive experiments demonstrate that our prompt design enhances both performance and robustness while reducing the number of prompts.

Multi-stages attention Breast cancer classification based on nonlinear spiking neural P neurons with autapses

Breast cancer(BC) is a prevalent type of malignant tumor in women. Early diagnosis and treatment are vital for enhancing the patients' survival rate. Downsampling in deep networks may lead to loss of information, so for compensating the detail and edge information and allowing convolutional neural networks to pay more attention to seek the lesion region, we propose a multi-stages attention architecture based on NSNP neurons with autapses. First, unlike the single-scale attention acquisition methods of existing methods, we set up spatial attention acquisition at each feature map scale of the convolutional network to obtain an fusion global information on attention guidance. Then we introduce a new type of NSNP variants called NSNP neurons with autapses. Specifically, NSNP systems are modularized as feature encoders, recoding the features extracted from convolutional neural network as well as the fusion of attention information and preserve the key characteristic elements in feature maps. This ensures the retention of valuable data while gradually transforming high-dimensional complicated info into low-dimensional ones. The proposed method is evaluated on the public dataset BreakHis at various magnifications and classification tasks. It achieves a classification accuracy of 96.32% at all magnification cases, outperforming state-of-the-art methods. Ablation studies are also performed, verifying the proposed model's efficacy. The source code is available at XhuBobYoung/Breast-cancer-Classification.

RoboFiSense: Attention-Based Robotic Arm Activity Recognition with WiFi Sensing

Despite the current surge of interest in autonomous robotic systems, robot activity recognition within restricted indoor environments remains a formidable challenge. Conventional methods for detecting and recognizing robotic arms' activities often rely on vision-based or light detection and ranging (LiDAR) sensors, which require line-of-sight (LoS) access and may raise privacy concerns, for example, in nursing facilities. This research pioneers an innovative approach harnessing channel state information (CSI) measured from WiFi signals, subtly influenced by the activity of robotic arms. We developed an attention-based network to classify eight distinct activities performed by a Franka Emika robotic arm in different situations. Our proposed bidirectional vision transformer-concatenated (BiVTC) methodology aspires to predict robotic arm activities accurately, even when trained on activities with different velocities, all without dependency on external or internal sensors or visual aids. Considering the high dependency of CSI data to the environment, motivated us to study the problem of sniffer location selection, by systematically changing the sniffer's location and collecting different sets of data. Finally, this paper also marks the first publication of the CSI data of eight distinct robotic arm activities, collectively referred to as RoboFiSense. This initiative aims to provide a benchmark dataset and baselines to the research community, fostering advancements in the field of robotics sensing.

Geometry-Biased Transformer for Robust Multi-View 3D Human Pose Reconstruction

We address the challenges in estimating 3D human poses from multiple views under occlusion and with limited overlapping views. We approach multi-view, single-person 3D human pose reconstruction as a regression problem and propose a novel encoder-decoder Transformer architecture to estimate 3D poses from multi-view 2D pose sequences. The encoder refines 2D skeleton joints detected across different views and times, fusing multi-view and temporal information through global self-attention. We enhance the encoder by incorporating a geometry-biased attention mechanism, effectively leveraging geometric relationships between views. Additionally, we use detection scores provided by the 2D pose detector to further guide the encoder's attention based on the reliability of the 2D detections. The decoder subsequently regresses the 3D pose sequence from these refined tokens, using pre-defined queries for each joint. To enhance the generalization of our method to unseen scenes and improve resilience to missing joints, we implement strategies including scene centering, synthetic views, and token dropout. We conduct extensive experiments on three benchmark public datasets, Human3.6M, CMU Panoptic and Occlusion-Persons. Our results demonstrate the efficacy of our approach, particularly in occluded scenes and when few views are available, which are traditionally challenging scenarios for triangulation-based methods.

Intelligent Parsing: An Automated Parsing Framework for Extracting Design Semantics from E-commerce Creatives

In the industrial e-commerce landscape, creative designs such as banners and posters are ubiquitous. Extracting structured semantic information from creative e-commerce design materials (manuscripts crafted by designers) to obtain design semantics represents a core challenge in the realm of intelligent design. In this paper, we propose a comprehensive automated framework for intelligently parsing creative materials. This framework comprises material recognition, preprocess, smartname, and label layers. The material recognition layer consolidates various detection and recognition interfaces, covering business aspects including detection of auxiliary areas within creative materials and layer-level detection, alongside label identification. Algorithmically, it encompasses a variety of coarse-to-fine methods such as Cascade RCNN, GFL, and other models. The preprocess layer involves filtering creative layers and grading creative materials. The smartname layer achieves intelligent naming for creative materials, while the label layer covers multi-level tagging for creative materials, enabling tagging at different hierarchical levels. Intelligent parsing constitutes a complete parsing framework that significantly aids downstream processes such as intelligent creation, creative optimization, and material library construction. Within the practical business applications at Suning, it markedly enhances the exposure, circulation, and click-through rates of creative materials, expediting the closed-loop production of creative materials and yielding substantial benefits.

Adjustable Molecular Representation for Unified Pre-training Strategy

We propose a new large-scale molecular model, named AdaMR, which stands for Adjustable Molecular Representation for Unified Pre-training Strategy. Unlike recent large-scale molecular models that use a single molecular encoding, AdaMR employs a granularity-adjustable molecular encoder, learning molecular representations at both the atomic and substructure levels. For the pre-training process, we designed a task for molecular canonicalization, which involves transforming ltiple generic molecular representations into canonical representations. By adjusting the granularity of molecular encoding, the trained model can improve the effects on multiple downstream tasks, such as model attribute prediction and molecule generation. Substructure-level molecular representation retains information of specific atom groups or arrangements that determine chemical properties and have similar functions, which is beneficial for tasks like property prediction. Meanwhile, atomic-level representation, combined with generative molecular canonicalization pre-training tasks, enhances the validity, novelty, and uniqueness in generative tasks. These features of AdaMR demonstrate its strong performance in numerous downstream tasks. We use different molecular properties prediction tasks on six different datasets on MoleculeNet and two generative tasks on ZINC250K dataset to evaluate our proposed molecular encoding and pre-training methods, and obtain state-of-the-art (SOTA) results on five of these tasks.