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Reinforced Active Learning for Large-Scale Virtual Screening with Learnable Policy Model

Neural Information Processing Systems

Virtual Screening (VS) is vital for drug discovery but struggles with low hit rates and high computational costs. While Active Learning (AL) has shown promise in improving the efficiency of VS, traditional methods rely on inflexible and handcrafted heuristics, limiting adaptability in complex chemical spaces, particularly in balancing molecular diversity and selection accuracy. To overcome these challenges, we propose GLARE, a reinforced active learning framework that reformulates VS as a Markov Decision Process (MDP). Using Group Relative Policy Optimization (GRPO), GLARE dynamically balances chemical diversity, biological relevance, and computational constraints, eliminating the need for inflexible heuristics. Experiments show GLARE outperforms state-of-the-art AL methods, with a 64.8% average improvement in Enrichment Factors (EF). Additionally, GLARE enhances the performance of VS foundation models like DrugCLIP, achieving up to an 8-fold improvement in EF$_{0.5\\%}$


Flare7K: APhenomenological Nighttime Flare Removal Dataset

Neural Information Processing Systems

Artificial lights commonly leave strong lens flare artifacts on images captured at night. Nighttime flare not only affects the visual quality but also degrades the performance of vision algorithms. Existing flare removal methods mainly focus on removing daytime flares and fail in nighttime. Nighttime flare removal is challenging because of the unique luminance and spectrum of artificial lights and the diverse patterns and image degradation of the flares captured at night. The scarcity of nighttime flare removal datasets limits the research on this crucial task.



GLARE: Guided LexRank for Advanced Retrieval in Legal Analysis

arXiv.org Artificial Intelligence

The Brazilian Constitution, known as the Citizen's Charter, provides mechanisms for citizens to petition the Judiciary, including the so-called special appeal. This specific type of appeal aims to standardize the legal interpretation of Brazilian legislation in cases where the decision contradicts federal laws. The handling of special appeals is a daily task in the Judiciary, regularly presenting significant demands in its courts. We propose a new method called GLARE, based on unsupervised machine learning, to help the legal analyst classify a special appeal on a topic from a list made available by the National Court of Brazil (STJ). As part of this method, we propose a modification of the graph-based LexRank algorithm, which we call Guided LexRank. This algorithm generates the summary of a special appeal. The degree of similarity between the generated summary and different topics is evaluated using the BM25 algorithm. As a result, the method presents a ranking of themes most appropriate to the analyzed special appeal. The proposed method does not require prior labeling of the text to be evaluated and eliminates the need for large volumes of data to train a model. We evaluate the effectiveness of the method by applying it to a special appeal corpus previously classified by human experts.


GLARE: A Dataset for Traffic Sign Detection in Sun Glare

arXiv.org Artificial Intelligence

Real-time machine learning object detection algorithms are often found within autonomous vehicle technology and depend on quality datasets. It is essential that these algorithms work correctly in everyday conditions as well as under strong sun glare. Reports indicate glare is one of the two most prominent environment-related reasons for crashes. However, existing datasets, such as the Laboratory for Intelligent & Safe Automobiles Traffic Sign (LISA) Dataset and the German Traffic Sign Recognition Benchmark, do not reflect the existence of sun glare at all. This paper presents the GLARE (GLARE is available at: https://github.com/NicholasCG/GLARE_Dataset ) traffic sign dataset: a collection of images with U.S-based traffic signs under heavy visual interference by sunlight. GLARE contains 2,157 images of traffic signs with sun glare, pulled from 33 videos of dashcam footage of roads in the United States. It provides an essential enrichment to the widely used LISA Traffic Sign dataset. Our experimental study shows that although several state-of-the-art baseline architectures have demonstrated good performance on traffic sign detection in conditions without sun glare in the past, they performed poorly when tested against GLARE (e.g., average mAP0.5:0.95 of 19.4). We also notice that current architectures have better detection when trained on images of traffic signs in sun glare performance (e.g., average mAP0.5:0.95 of 39.6), and perform best when trained on a mixture of conditions (e.g., average mAP0.5:0.95 of 42.3).


Building a General Classification System for Image Quality Defects

#artificialintelligence

Over the course of several years, many image-based intelligent solutions have been developed for a variety of use cases. The one thing they all have had in common is an array of image quality issues present in the raw image datasets used to build and test the solutions. According to Forbes (2016), "Data Scientists spend 80% of their time finding, cleaning, and trying to organize the data". This trend is further observed during cleaning image datasets in which human error is also prevalent. "A bad dataset will lead to a bad model" -- If the image quality defects are due to an error while capturing or does not represent natural life like conditions, then the model trained is sure to fail.


Robust Glare Detection: Review, Analysis, and Dataset Release

arXiv.org Artificial Intelligence

Sun Glare widely exists in the images captured by unmanned ground and aerial vehicles performing in outdoor environments. The existence of such artifacts in images will result in wrong feature extraction and failure of autonomous systems. Humans will try to adapt their view once they observe a glare (especially when driving), and this behavior is an essential requirement for the next generation of autonomous vehicles. The source of glare is not limited to the sun, and glare can be seen in the images captured during the nighttime and in indoor environments, which is due to the presence of different light sources; reflective surfaces also influence the generation of such artifacts. The glare's visual characteristics are different on images captured by various cameras and depend on several factors such as the camera's shutter speed and exposure level. Hence, it is challenging to introduce a general - robust and accurate - algorithm for glare detection that can perform well in various captured images. This research aims to introduce the first dataset for glare detection, which includes images captured by different cameras. Besides, the effect of multiple image representations and their combination in glare detection is examined using the proposed deep network architecture. The released dataset is available at https://github.com/maesfahani/glaredetection


Fast Glare Detection in Document Images

arXiv.org Machine Learning

Glare is a phenomenon that occurs when the scene has a reflection of a light source or has one in it. This luminescence can hide useful information from the image, making text recognition virtually impossible. In this paper, we propose an approach to detect glare in images taken by users via mobile devices. Our method divides the document into blocks and collects luminance features from the original image and black-white strokes histograms of the binarized image. Finally, glare is detected using a convolutional neural network on the aforementioned histograms and luminance features. The network consists of several feature extraction blocks, one for each type of input, and the detection block, which calculates the resulting glare heatmap based on the output of the extraction part. The proposed solution detects glare with high recall and f-score.


Open-plan Glare Evaluator (OGE): A New Glare Prediction Model for Open-Plan Offices Using Machine Learning Algorithms

arXiv.org Machine Learning

Predicting discomfort glare in open-plan offices is a challenging problem since most of available glare metrics are developed for cellular offices which are typically daylight dominated. The problem with open-plan offices is that they are mainly dependent on electric lighting rather than daylight even when they have a fully glazed facade. In addition, the contrast between bright windows and the buildings interior can be problematic and may cause discomfort glare to the building occupants. These problems can affect occupant productivity and wellbeing. Thus, it is important to develop a predictive model to avoid discomfort glare when designing open plan offices. To the best of our knowledge, we are the first to adopt Machine Learning (ML) models to predict discomfort glare. In order to develop new glare predictive models for these types of offices, Post-Occupancy Evaluation (POE) and High Dynamic Range (HDR) images were collected from 80 occupants (n=80) in four different open-plan offices. Consequently, various multi-region luminance values, luminance and glare indices were calculated and used as input features to train ML models. The accuracy of the ML model was compared to the accuracy of 24 indices which were also evaluated using a Receiver Operating Characteristic (ROC) analysis to identify the best cutoff values (thresholds) for each index for open-plan configurations. Results showed that the ML glare model could predict glare in open-plan offices with an accuracy of 83.8% (0.80 true positive rate and 0.86 true negative rate) which outperformed the accuracy of the previously developed glare metrics.


The best dash cam

Engadget

This post was done in partnership with Wirecutter. When readers choose to buy Wirecutter's independently chosen editorial picks, Wirecutter and Engadget may earn affiliate commission. After researching about 200 dash cams and testing 30, we've found that the Garmin Dash Cam 55 is the dash cam we'd want on the windshield in case something crazy happens when we're out for a drive. This camera produces crisp, detailed video day or night, and its compact body sits securely in a magnetic mount that's among the simplest to set up and use daily. The Garmin Dash Cam 55 records at a 1440p resolution, delivering better-quality video than most of the models we've tested, with sharp enough resolution to clearly read license plates and see other details in lighting conditions that other cameras struggled with. At only 2¼ by 1½ inches, the Garmin takes up less room on the windshield than most, and its small magnetic mount makes the camera easy to adjust, attach, or remove. You can perform basic functions through voice commands--a rare feature that helps make up for some awkward physical controls. It also has details common to higher-end units, like an integrated GPS receiver, Wi-Fi for connecting to a compatible smartphone app, and some handy driver assistance functions. On performance, the Nextbase 512GW and Nextbase 612GW 4K are actually better dash cams than the Garmin 55--but this brand, popular in the UK and new to the US market, has been available inconsistently so far. If you can find either of these Nextbase models, you'll get the best image quality--as well as one of the best mounts and smartphone apps--of any dash cams we tested. A few details differentiate this pair: the 512GW records at 1440p resolution, has touch-sensitive buttons, and a plastic body; the 612GW records at a crisper 2160p (4K) and has both an easier-to-use touchscreen and a sturdier aluminum body. You can also connect an optional rear camera to the 512GW.