OpenRaiser/Intern-Atlas huggingface dataset:
ResDTA: Predicting Drug-Target Binding Affinity Using Residual Skip Connections
Venue: arXiv cs.LG 2023
Year: 2023

The discovery of novel drug target (DT) interactions is an important step in the drug development process. The majority of computer techniques for predicting DT interactions have focused on binary classification, with the goal of determining whether or not a DT pair interacts. Protein ligand interactions, on the other hand, assume a continuous range of binding strength values, also known as binding affinity, and forecasting this value remains a difficulty. As the amount of affinity data in DT knowledge-bases grows, advanced learning techniques such as deep learning architectures can be used to predict binding affinities. In this paper, we present a deep-learning-based methodology for predicting DT binding affinities using just sequencing information from both targets and drugs. The results show that the proposed deep learning-based model that uses the 1D representations of targets and drugs is an effective approach for drug target binding affinity prediction and it does not require additional chemical domain knowledge to work with. The model in which high-level representations of a drug and a target are constructed via CNNs that uses residual skip connections and also with an additional stream to create a high-level combined representation of the drug-target pair achieved the best Concordance Index (CI) performance in one of the largest benchmark datasets, outperforming the recent state-of-the-art method AttentionDTA and many other machine-learning and deep-learning based baseline methods for DT binding affinity prediction that uses the 1D representations of targets and drugs.
Mind meets machine: Unravelling GPT-4's cognitive psychology
Venue: arXiv cs.CL 2023
Year: 2023

Cognitive psychology delves on understanding perception, attention, memory, language, problem-solving, decision-making, and reasoning. Large language models (LLMs) are emerging as potent tools increasingly capable of performing human-level tasks. The recent development in the form of GPT-4 and its demonstrated success in tasks complex to humans exam and complex problems has led to an increased confidence in the LLMs to become perfect instruments of intelligence. Although GPT-4 report has shown performance on some cognitive psychology tasks, a comprehensive assessment of GPT-4, via the existing well-established datasets is required. In this study, we focus on the evaluation of GPT-4's performance on a set of cognitive psychology datasets such as CommonsenseQA, SuperGLUE, MATH and HANS. In doing so, we understand how GPT-4 processes and integrates cognitive psychology with contextual information, providing insight into the underlying cognitive processes that enable its ability to generate the responses. We show that GPT-4 exhibits a high level of accuracy in cognitive psychology tasks relative to the prior state-of-the-art models. Our results strengthen the already available assessments and confidence on GPT-4's cognitive psychology abilities. It has significant potential to revolutionize the field of AI, by enabling machines to bridge the gap between human and machine reasoning.
Machine Learning Techniques for Estimating Soil Moisture from Mobile Captured Images
Venue: arXiv cs.CV 2023
Year: 2023

Precise Soil Moisture (SM) assessment is essential in agriculture. By understanding the level of SM, we can improve yield irrigation scheduling which significantly impacts food production and other needs of the global population. The advancements in smartphone technologies and computer vision have demonstrated a non-destructive nature of soil properties, including SM. The study aims to analyze the existing Machine Learning (ML) techniques for estimating SM from soil images and understand the moisture accuracy using different smartphones and various sunlight conditions. Therefore, 629 images of 38 soil samples were taken from seven areas in Sydney, Australia, and split into four datasets based on the image-capturing devices used (iPhone 6s and iPhone 11 Pro) and the lighting circumstances (direct and indirect sunlight). A comparison between Multiple Linear Regression (MLR), Support Vector Regression (SVR), and Convolutional Neural Network (CNN) was presented. MLR was performed with higher accuracy using holdout cross-validation, where the images were captured in indirect sunlight with the Mean Absolute Error (MAE) value of 0.35, Root Mean Square Error (RMSE) value of 0.15, and R^2 value of 0.60. Nevertheless, SVR was better with MAE, RMSE, and R^2 values of 0.05, 0.06, and 0.96 for 10-fold cross-validation and 0.22, 0.06, and 0.95 for leave-one-out cross-validation when images were captured in indirect sunlight. It demonstrates a smartphone camera's potential for predicting SM by utilizing ML. In the future, software developers can develop mobile applications based on the research findings for accurate, easy, and rapid SM estimation.
A VR-based Priming Framework and Technology Implementation to Improve Learning Mindsets and Academic Performance in Post-Secondary Students
Venue: arXiv cs.HC 2023
Year: 2023

Recent research indicates that most post-secondary students in North America "felt overwhelming anxiety" in the past few years, negatively affecting well-being and academic performance. Further research revealed that other emotions, biases, perceptions, and negative thoughts, can similarly affect student academic performance. To address this problem, we classify these counterproductive mindsets, including anxiety, into Scarcity Mindset, a self-limiting perspective that appropriates cognitive bandwidth required for essential processes like learning in favour of addressing more critical needs or perceived insufficiencies. Through a multi-disciplinary literature analysis of ideas in cognitive science, learning theories and mindsets, and current technology approaches that are suited to address the limitations of scarcity thinking, we identify strategies to help transition students to a more positive Abundance Mindsets. We demonstrate that these priming intervention strategies can transfer to leading-edge digital environments, particularly Virtual Reality (VR). Offering further insights into the findings of our two previously presented studies, we argue that priming interventions related to preparatory activities and the context priming are transferable to virtual reality environments. As such, building on our multidisciplinary research insights, we propose a comprehensive priming model that exploits priming techniques in an iterative process called Cyclical Priming Methodology (CPM). These intervention strategies can focus on student preparation, motivation, reflection, the context of the learning environment, and other aspects of the learning process. Building on CPM, we further propose a technology implementation within VR called Virtual Reality Experience Priming (VREP) and discuss the process to embed CPM/VREP activities within the Experiential Learning Theory (ELT) cycle.
Robust Table Structure Recognition with Dynamic Queries Enhanced Detection Transformer
Venue: arXiv cs.CV 2023
Year: 2023

We present a new table structure recognition (TSR) approach, called TSRFormer, to robustly recognizing the structures of complex tables with geometrical distortions from various table images. Unlike previous methods, we formulate table separation line prediction as a line regression problem instead of an image segmentation problem and propose a new two-stage dynamic queries enhanced DETR based separation line regression approach, named DQ-DETR, to predict separation lines from table images directly. Compared to Vallina DETR, we propose three improvements in DQ-DETR to make the two-stage DETR framework work efficiently and effectively for the separation line prediction task: 1) A new query design, named Dynamic Query, to decouple single line query into separable point queries which could intuitively improve the localization accuracy for regression tasks; 2) A dynamic queries based progressive line regression approach to progressively regressing points on the line which further enhances localization accuracy for distorted tables; 3) A prior-enhanced matching strategy to solve the slow convergence issue of DETR. After separation line prediction, a simple relation network based cell merging module is used to recover spanning cells. With these new techniques, our TSRFormer achieves state-of-the-art performance on several benchmark datasets, including SciTSR, PubTabNet, WTW and FinTabNet. Furthermore, we have validated the robustness and high localization accuracy of our approach to tables with complex structures, borderless cells, large blank spaces, empty or spanning cells as well as distorted or even curved shapes on a more challenging real-world in-house dataset.
Information-containing Adversarial Perturbation for Combating Facial Manipulation Systems
Venue: arXiv cs.CV 2023
Year: 2023

With the development of deep learning technology, the facial manipulation system has become powerful and easy to use. Such systems can modify the attributes of the given facial images, such as hair color, gender, and age. Malicious applications of such systems pose a serious threat to individuals' privacy and reputation. Existing studies have proposed various approaches to protect images against facial manipulations. Passive defense methods aim to detect whether the face is real or fake, which works for posterior forensics but can not prevent malicious manipulation. Initiative defense methods protect images upfront by injecting adversarial perturbations into images to disrupt facial manipulation systems but can not identify whether the image is fake. To address the limitation of existing methods, we propose a novel two-tier protection method named Information-containing Adversarial Perturbation (IAP), which provides more comprehensive protection for {facial images}. We use an encoder to map a facial image and its identity message to a cross-model adversarial example which can disrupt multiple facial manipulation systems to achieve initiative protection. Recovering the message in adversarial examples with a decoder serves passive protection, contributing to provenance tracking and fake image detection. We introduce a feature-level correlation measurement that is more suitable to measure the difference between the facial images than the commonly used mean squared error. Moreover, we propose a spectral diffusion method to spread messages to different frequency channels, thereby improving the robustness of the message against facial manipulation. Extensive experimental results demonstrate that our proposed IAP can recover the messages from the adversarial examples with high average accuracy and effectively disrupt the facial manipulation systems.
A more general categorical framework for congruence of applicative bisimilarity
Venue: arXiv cs.LO 2023
Year: 2023

We prove a general congruence result for bisimilarity in higher-order languages, which generalises previous work to languages specified by a labelled transition system in which programs may occur as labels, and which may rely on operations on terms other than capture-avoiding substitution. This is typically the case for PCF, $λ$-calculus with delimited continuations, and early-style bisimilarity in higher-order process calculi.
Anchor Free remote sensing detector based on solving discrete polar coordinate equation
Venue: arXiv cs.CV 2023
Year: 2023

As the rapid development of depth learning, object detection in aviatic remote sensing images has become increasingly popular in recent years. Most of the current Anchor Free detectors based on key point detection sampling directly regression and classification features, with the design of object loss function based on the horizontal bounding box. It is more challenging for complex and diverse aviatic remote sensing object. In this paper, we propose an Anchor Free aviatic remote sensing object detector (BWP-Det) to detect rotating and multi-scale object. Specifically, we design a interactive double-branch(IDB) up-sampling network, in which one branch gradually up-sampling is used for the prediction of Heatmap, and the other branch is used for the regression of boundary box parameters. We improve a weighted multi-scale convolution (WmConv) in order to highlight the difference between foreground and background. We extracted Pixel level attention features from the middle layer to guide the two branches to pay attention to effective object information in the sampling process. Finally, referring to the calculation idea of horizontal IoU, we design a rotating IoU based on the split polar coordinate plane, namely JIoU, which is expressed as the intersection ratio following discretization of the inner ellipse of the rotating bounding box, to solve the correlation between angle and side length in the regression process of the rotating bounding box. Ultimately, BWP-Det, our experiments on DOTA, UCAS-AOD and NWPU VHR-10 datasets show, achieves advanced performance with simpler models and fewer regression parameters.
On the link between generative semi-supervised learning and generative open-set recognition
Venue: arXiv cs.CV 2023
Year: 2023

This study investigates the relationship between semi-supervised learning (SSL, which is training off partially labelled datasets) and open-set recognition (OSR, which is classification with simultaneous novelty detection) under the context of generative adversarial networks (GANs). Although no previous study has formally linked SSL and OSR, their respective methods share striking similarities. Specifically, SSL-GANs and OSR-GANs require their generators to produce 'bad-looking' samples which are used to regularise their classifier networks. We hypothesise that the definitions of bad-looking samples in SSL and OSR represents the same concept and realises the same goal. More formally, bad-looking samples lie in the complementary space, which is the area between and around the boundaries of the labelled categories within the classifier's embedding space. By regularising a classifier with samples in the complementary space, classifiers achieve improved generalisation for SSL and also generalise the open space for OSR. To test this hypothesis, we compare a foundational SSL-GAN with the state-of-the-art OSR-GAN under the same SSL-OSR experimental conditions. Our results find that SSL-GANs achieve near identical results to OSR-GANs, proving the SSL-OSR link. Subsequently, to further this new research path, we compare several SSL-GANs various SSL-OSR setups which this first benchmark results. A combined framework of SSL-OSR certainly improves the practicality and cost-efficiency of classifier training, and so further theoretical and application studies are also discussed.
Lidar Line Selection with Spatially-Aware Shapley Value for Cost-Efficient Depth Completion
Venue: arXiv cs.LG 2023
Year: 2023

Lidar is a vital sensor for estimating the depth of a scene. Typical spinning lidars emit pulses arranged in several horizontal lines and the monetary cost of the sensor increases with the number of these lines. In this work, we present the new problem of optimizing the positioning of lidar lines to find the most effective configuration for the depth completion task. We propose a solution to reduce the number of lines while retaining the up-to-the-mark quality of depth completion. Our method consists of two components, (1) line selection based on the marginal contribution of a line computed via the Shapley value and (2) incorporating line position spread to take into account its need to arrive at image-wide depth completion. Spatially-aware Shapley values (SaS) succeed in selecting line subsets that yield a depth accuracy comparable to the full lidar input while using just half of the lines.
Online Learning of Wheel Odometry Correction for Mobile Robots with Attention-based Neural Network
Venue: arXiv cs.RO 2023
Year: 2023

Modern robotic platforms need a reliable localization system to operate daily beside humans. Simple pose estimation algorithms based on filtered wheel and inertial odometry often fail in the presence of abrupt kinematic changes and wheel slips. Moreover, despite the recent success of visual odometry, service and assistive robotic tasks often present challenging environmental conditions where visual-based solutions fail due to poor lighting or repetitive feature patterns. In this work, we propose an innovative online learning approach for wheel odometry correction, paving the way for a robust multi-source localization system. An efficient attention-based neural network architecture has been studied to combine precise performances with real-time inference. The proposed solution shows remarkable results compared to a standard neural network and filter-based odometry correction algorithms. Nonetheless, the online learning paradigm avoids the time-consuming data collection procedure and can be adopted on a generic robotic platform on-the-fly.
Few-shot Neural Radiance Fields Under Unconstrained Illumination
Venue: arXiv cs.CV 2023
Year: 2023

In this paper, we introduce a new challenge for synthesizing novel view images in practical environments with limited input multi-view images and varying lighting conditions. Neural radiance fields (NeRF), one of the pioneering works for this task, demand an extensive set of multi-view images taken under constrained illumination, which is often unattainable in real-world settings. While some previous works have managed to synthesize novel views given images with different illumination, their performance still relies on a substantial number of input multi-view images. To address this problem, we suggest ExtremeNeRF, which utilizes multi-view albedo consistency, supported by geometric alignment. Specifically, we extract intrinsic image components that should be illumination-invariant across different views, enabling direct appearance comparison between the input and novel view under unconstrained illumination. We offer thorough experimental results for task evaluation, employing the newly created NeRF Extreme benchmark-the first in-the-wild benchmark for novel view synthesis under multiple viewing directions and varying illuminations.
DIPPM: a Deep Learning Inference Performance Predictive Model using Graph Neural Networks
Venue: arXiv cs.PF 2023
Year: 2023

Deep Learning (DL) has developed to become a corner-stone in many everyday applications that we are now relying on. However, making sure that the DL model uses the underlying hardware efficiently takes a lot of effort. Knowledge about inference characteristics can help to find the right match so that enough resources are given to the model, but not too much. We have developed a DL Inference Performance Predictive Model (DIPPM) that predicts the inference latency, energy, and memory usage of a given input DL model on the NVIDIA A100 GPU. We also devised an algorithm to suggest the appropriate A100 Multi-Instance GPU profile from the output of DIPPM. We developed a methodology to convert DL models expressed in multiple frameworks to a generalized graph structure that is used in DIPPM. It means DIPPM can parse input DL models from various frameworks. Our DIPPM can be used not only helps to find suitable hardware configurations but also helps to perform rapid design-space exploration for the inference performance of a model. We constructed a graph multi-regression dataset consisting of 10,508 different DL models to train and evaluate the performance of DIPPM, and reached a resulting Mean Absolute Percentage Error (MAPE) as low as 1.9%.
Beam Management Driven by Radio Environment Maps in O-RAN Architecture
Venue: arXiv cs.NI 2023
Year: 2023

The Massive Multiple-Input Multiple-Output (M-MIMO) is considered as one of the key technologies in 5G, and future 6G networks. From the perspective of, e.g., channel estimation, especially for high-speed users it is easier to implement an M-MIMO network exploiting a static set of beams, i.e., Grid of Beams (GoB). While considering GoB it is important to properly assign users to the beams, i.e., to perform Beam Management (BM). BM can be enhanced by taking into account historical knowledge about the radio environment, e.g., to avoid radio link failures. The aim of this paper is to propose such a BM algorithm, that utilizes location-dependent data stored in a Radio Environment Map (REM). It utilizes received power maps, and user mobility patterns to optimize the BM process in terms of Reinforcement Learning (RL) by using the Policy Iteration method under different goal functions, e.g., maximization of received power or minimization of beam reselections while avoiding radio link failures. The proposed solution is compliant with the Open Radio Access Network (O-RAN) architecture, enabling its practical implementation. Simulation studies have shown that the proposed BM algorithm can significantly reduce the number of beam reselections or radio link failures compared to the baseline algorithm.
NSTO: Neural Synthesizing Topology Optimization for Modulated Structure Generation
Venue: arXiv cs.CE 2023
Year: 2023

Nature evolves structures like honeycombs at optimized performance with limited material. These efficient structures can be artificially created with the collaboration of structural topology optimization and additive manufacturing. However, the extensive computation cost of topology optimization causes low mesh resolution, long solving time, and rough boundaries that fail to match the requirements for meeting the growing personal fabrication demands and printing capability. Therefore, we propose the neural synthesizing topology optimization that leverages a self-supervised coordinate-based network to optimize structures with significantly shorter computation time, where the network encodes the structural material layout as an implicit function of coordinates. Continuous solution space is further generated from optimization tasks under varying boundary conditions or constraints for users' instant inference of novel solutions. We demonstrate the system's efficacy for a broad usage scenario through numerical experiments and 3D printing.
Real-Time Cyberattack Detection with Offline and Online Learning
Venue: arXiv cs.CR 2023
Year: 2023

This paper presents several novel algorithms for real-time cyberattack detection using the Auto-Associative Deep Random Neural Network, which were developed in the HORIZON 2020 IoTAC Project. Some of these algorithms require offline learning, while others require the algorithm to learn during its normal operation while it is also testing the flow of incoming traffic to detect possible attacks. Most of the methods we present are designed to be used at a single node, while one specific method collects data from multiple network ports to detect and monitor the spread of a Botnet. The evaluation of the accuracy of all the methods is carried out with real attack traces. These novel methods are also compared with other state-of-the-art approaches, showing that they offer better or equal performance, at lower computational learning and shorter detection times as compared to the existing approaches.