Intelligent System for Automated Molecular Patent Infringement Assessment

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, a critical bottleneck persists in the inability of current automated frameworks to assess whether newly designed molecules infringe upon existing patents, posing significant legal and financial risks. We introduce PatentFinder, a novel tool-enhanced and multi-agent framework that accurately and comprehensively evaluates small molecules for patent infringement. It incorporates both heuristic and model-based tools tailored for decomposed subtasks, featuring: MarkushParser, which is capable of optical chemical structure recognition of molecular and Markush structures, and MarkushMatcher, which enhances large language models' ability to extract substituent groups from molecules accurately. On our benchmark dataset MolPatent-240, PatentFinder outperforms baseline approaches that rely solely on large language models, demonstrating a 13.8\% increase in F1-score and a 12\% rise in accuracy. Experimental results demonstrate that PatentFinder mitigates label bias to produce balanced predictions and autonomously generates detailed, interpretable patent infringement reports. This work not only addresses a pivotal challenge in automated drug discovery but also demonstrates the potential of decomposing complex scientific tasks into manageable subtasks for specialized, tool-augmented agents.

SciLitLLM: How to Adapt LLMs for Scientific Literature Understanding

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis

Recent breakthroughs in Large Language Models (LLMs) have revolutionized natural language understanding and generation, igniting a surge of interest in leveraging these technologies in the field of scientific literature analysis. Existing benchmarks, however, inadequately evaluate the proficiency of LLMs in scientific literature analysis, especially in scenarios involving complex comprehension and multimodal data. In response, we introduced SciAssess, a benchmark tailored for the in-depth analysis of scientific literature, crafted to provide a thorough assessment of LLMs' efficacy. SciAssess focuses on evaluating LLMs' abilities in memorization, comprehension, and analysis within the context of scientific literature analysis. It includes representative tasks from diverse scientific fields, such as general chemistry, organic materials, and alloy materials. And rigorous quality control measures ensure its reliability in terms of correctness, anonymization, and copyright compliance. SciAssess evaluates leading LLMs, including GPT-4, GPT-3.5, and Gemini, identifying their strengths and aspects for improvement and supporting the ongoing development of LLM applications in scientific literature analysis. SciAssess and its resources are made available at https://sci-assess.github.io, offering a valuable tool for advancing LLM capabilities in scientific literature analysis.

Uni-SMART: Universal Science Multimodal Analysis and Research Transformer

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as molecular structure, tables, and charts, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present Uni-SMART (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over leading text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

Power Efficient Video Super-Resolution on Mobile NPUs with Deep Learning, Mobile AI & AIM 2022 challenge: Report

Video super-resolution is one of the most popular tasks on mobile devices, being widely used for an automatic improvement of low-bitrate and low-resolution video streams. While numerous solutions have been proposed for this problem, they are usually quite computationally demanding, demonstrating low FPS rates and power efficiency on mobile devices. In this Mobile AI challenge, we address this problem and propose the participants to design an end-to-end real-time video super-resolution solution for mobile NPUs optimized for low energy consumption. The participants were provided with the REDS training dataset containing video sequences for a 4X video upscaling task. The runtime and power efficiency of all models was evaluated on the powerful MediaTek Dimensity 9000 platform with a dedicated AI processing unit capable of accelerating floating-point and quantized neural networks. All proposed solutions are fully compatible with the above NPU, demonstrating an up to 500 FPS rate and 0.2 [Watt / 30 FPS] power consumption. A detailed description of all models developed in the challenge is provided in this paper.

NTIRE 2021 Challenge on Perceptual Image Quality Assessment

This paper reports on the NTIRE 2021 challenge on perceptual image quality assessment (IQA), held in conjunction with the New Trends in Image Restoration and Enhancement workshop (NTIRE) workshop at CVPR 2021. As a new type of image processing technology, perceptual image processing algorithms based on Generative Adversarial Networks (GAN) have produced images with more realistic textures. These output images have completely different characteristics from traditional distortions, thus pose a new challenge for IQA methods to evaluate their visual quality. In comparison with previous IQA challenges, the training and testing datasets in this challenge include the outputs of perceptual image processing algorithms and the corresponding subjective scores. Thus they can be used to develop and evaluate IQA methods on GAN-based distortions. The challenge has 270 registered participants in total. In the final testing stage, 13 participating teams submitted their models and fact sheets. Almost all of them have achieved much better results than existing IQA methods, while the winning method can demonstrate state-of-the-art performance.

AIM 2020: Scene Relighting and Illumination Estimation Challenge

We review the AIM 2020 challenge on virtual image relighting and illumination estimation. This paper presents the novel VIDIT dataset used in the challenge and the different proposed solutions and final evaluation results over the 3 challenge tracks. The first track considered one-to-one relighting; the objective was to relight an input photo of a scene with a different color temperature and illuminant orientation (i.e., light source position). The goal of the second track was to estimate illumination settings, namely the color temperature and orientation, from a given image. Lastly, the third track dealt with any-to-any relighting, thus a generalization of the first track. The target color temperature and orientation, rather than being pre-determined, are instead given by a guide image. Participants were allowed to make use of their track 1 and 2 solutions for track 3. The tracks had 94, 52, and 56 registered participants, respectively, leading to 20 confirmed submissions in the final competition stage.

Mixup-Based Acoustic Scene Classification Using Multi-Channel Convolutional Neural Network

Audio scene classification, the problem of predicting class labels of audio scenes, has drawn lots of attention during the last several years. However, it remains challenging and falls short of accuracy and efficiency. Recently, Convolutional Neural Network (CNN)-based methods have achieved better performance with comparison to the traditional methods. Nevertheless, conventional single channel CNN may fail to consider the fact that additional cues may be embedded in the multi-channel recordings. In this paper, we explore the use of Multi-channel CNN for the classification task, which aims to extract features from different channels in an end-to-end manner. We conduct the evaluation compared with the conventional CNN and traditional Gaussian Mixture Model-based methods. Moreover, to improve the classification accuracy further, this paper explores the using of mixup method. In brief, mixup trains the neural network on linear combinations of pairs of the representation of audio scene examples and their labels. By employing the mixup approach for data argumentation, the novel model can provide higher prediction accuracy and robustness in contrast with previous models, while the generalization error can also be reduced on the evaluation data.

Full-reference image quality assessment-based B-mode ultrasound image similarity measure

During the last decades, the number of new full-reference image quality assessment algorithms has been increasing drastically. Yet, despite of the remarkable progress that has been made, the medical ultrasound image similarity measurement remains largely unsolved due to a high level of speckle noise contamination. Potential applications of the ultrasound image similarity measurement seem evident in several aspects. To name a few, ultrasound imaging quality assessment, abnormal function region detection, etc. In this paper, a comparative study was made on full-reference image quality assessment methods for ultrasound image visual structural similarity measure. Moreover, based on the image similarity index, a generic ultrasound motion tracking re-initialization framework is given in this work. The experiments are conducted on synthetic data and real-ultrasound liver data and the results demonstrate that, with proposed similarity-based tracking re-initialization, the mean error of landmarks tracking can be decreased from 2 mm to about 1.5 mm in the ultrasound liver sequence.