Scientific computing has experienced a surge empowered by advancements in technologies such as neural networks. However, certain important tasks are less amenable to these technologies, benefiting from innovations to traditional inference schemes. One such task is protein re-design. Recently a new re-design algorithm, AOBB-K*, was introduced and was competitive with state-of-the-art BBK* on small protein re-design problems. However, AOBB-K* did not scale well. In this work we focus on scaling up AOBB-K* and introduce three new versions: AOBB-K*-b (boosted), AOBB-K*-DH (with dynamic heuristics), and AOBB-K*-UFO (with underflow optimization) that significantly enhance scalability.
相關內容
Large Language Models (LLMs) have excelled as high-level semantic planners for sequential decision-making tasks. However, harnessing them to learn complex low-level manipulation tasks, such as dexterous pen spinning, remains an open problem. We bridge this fundamental gap and present Eureka, a human-level reward design algorithm powered by LLMs. Eureka exploits the remarkable zero-shot generation, code-writing, and in-context improvement capabilities of state-of-the-art LLMs, such as GPT-4, to perform evolutionary optimization over reward code. The resulting rewards can then be used to acquire complex skills via reinforcement learning. Without any task-specific prompting or pre-defined reward templates, Eureka generates reward functions that outperform expert human-engineered rewards. In a diverse suite of 29 open-source RL environments that include 10 distinct robot morphologies, Eureka outperforms human experts on 83% of the tasks, leading to an average normalized improvement of 52%. The generality of Eureka also enables a new gradient-free in-context learning approach to reinforcement learning from human feedback (RLHF), readily incorporating human inputs to improve the quality and the safety of the generated rewards without model updating. Finally, using Eureka rewards in a curriculum learning setting, we demonstrate for the first time, a simulated Shadow Hand capable of performing pen spinning tricks, adeptly manipulating a pen in circles at rapid speed.
Artificial intelligence (AI) systems possess significant potential to drive societal progress. However, their deployment often faces obstacles due to substantial safety concerns. Safe reinforcement learning (SafeRL) emerges as a solution to optimize policies while simultaneously adhering to multiple constraints, thereby addressing the challenge of integrating reinforcement learning in safety-critical scenarios. In this paper, we present an environment suite called Safety-Gymnasium, which encompasses safety-critical tasks in both single and multi-agent scenarios, accepting vector and vision-only input. Additionally, we offer a library of algorithms named Safe Policy Optimization (SafePO), comprising 16 state-of-the-art SafeRL algorithms. This comprehensive library can serve as a validation tool for the research community. By introducing this benchmark, we aim to facilitate the evaluation and comparison of safety performance, thus fostering the development of reinforcement learning for safer, more reliable, and responsible real-world applications. The website of this project can be accessed at //sites.google.com/view/safety-gymnasium.
Owing to the promising ability of saving hardware cost and spectrum resources, integrated sensing and communication (ISAC) is regarded as a revolutionary technology for future sixth-generation (6G) networks. The mono-static ISAC systems considered in most of existing works can only achieve limited sensing performance due to the single observation angle and easily blocked transmission links, which motivates researchers to investigate cooperative ISAC networks. In order to further improve the degrees of freedom (DoFs) of cooperative ISAC networks, the transmitter-receiver selection, i.e., base station (BS) mode selection problem, is meaningful to be studied. However, to our best knowledge, this crucial problem has not been extensively studied in existing works. In this paper, we consider the joint BS mode selection, transmit beamforming, and receive filter design for cooperative cell-free ISAC networks, where multi-BSs cooperatively serve communication users and detect targets. We aim to maximize the sum of sensing signal-to-interference-plus-noise ratio (SINR) under the communication SINR requirements, total power budget, and constraints on the numbers of transmit/receive BSs. An efficient joint beamforming design algorithm and three different heuristic BS mode selection methods are proposed to solve this non-convex NP-hard problem. Simulation results demonstrates the advantages of cooperative ISAC networks, the importance of BS mode selection, and the effectiveness of our proposed algorithms.
Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at //github.com/AlexMaOLS/EluCD/tree/main.
Multimodality Representation Learning, as a technique of learning to embed information from different modalities and their correlations, has achieved remarkable success on a variety of applications, such as Visual Question Answering (VQA), Natural Language for Visual Reasoning (NLVR), and Vision Language Retrieval (VLR). Among these applications, cross-modal interaction and complementary information from different modalities are crucial for advanced models to perform any multimodal task, e.g., understand, recognize, retrieve, or generate optimally. Researchers have proposed diverse methods to address these tasks. The different variants of transformer-based architectures performed extraordinarily on multiple modalities. This survey presents the comprehensive literature on the evolution and enhancement of deep learning multimodal architectures to deal with textual, visual and audio features for diverse cross-modal and modern multimodal tasks. This study summarizes the (i) recent task-specific deep learning methodologies, (ii) the pretraining types and multimodal pretraining objectives, (iii) from state-of-the-art pretrained multimodal approaches to unifying architectures, and (iv) multimodal task categories and possible future improvements that can be devised for better multimodal learning. Moreover, we prepare a dataset section for new researchers that covers most of the benchmarks for pretraining and finetuning. Finally, major challenges, gaps, and potential research topics are explored. A constantly-updated paperlist related to our survey is maintained at //github.com/marslanm/multimodality-representation-learning.
With the breakthrough of AlphaGo, deep reinforcement learning becomes a recognized technique for solving sequential decision-making problems. Despite its reputation, data inefficiency caused by its trial and error learning mechanism makes deep reinforcement learning hard to be practical in a wide range of areas. Plenty of methods have been developed for sample efficient deep reinforcement learning, such as environment modeling, experience transfer, and distributed modifications, amongst which, distributed deep reinforcement learning has shown its potential in various applications, such as human-computer gaming, and intelligent transportation. In this paper, we conclude the state of this exciting field, by comparing the classical distributed deep reinforcement learning methods, and studying important components to achieve efficient distributed learning, covering single player single agent distributed deep reinforcement learning to the most complex multiple players multiple agents distributed deep reinforcement learning. Furthermore, we review recently released toolboxes that help to realize distributed deep reinforcement learning without many modifications of their non-distributed versions. By analyzing their strengths and weaknesses, a multi-player multi-agent distributed deep reinforcement learning toolbox is developed and released, which is further validated on Wargame, a complex environment, showing usability of the proposed toolbox for multiple players and multiple agents distributed deep reinforcement learning under complex games. Finally, we try to point out challenges and future trends, hoping this brief review can provide a guide or a spark for researchers who are interested in distributed deep reinforcement learning.
With the rise of deep convolutional neural networks, object detection has achieved prominent advances in past years. However, such prosperity could not camouflage the unsatisfactory situation of Small Object Detection (SOD), one of the notoriously challenging tasks in computer vision, owing to the poor visual appearance and noisy representation caused by the intrinsic structure of small targets. In addition, large-scale dataset for benchmarking small object detection methods remains a bottleneck. In this paper, we first conduct a thorough review of small object detection. Then, to catalyze the development of SOD, we construct two large-scale Small Object Detection dAtasets (SODA), SODA-D and SODA-A, which focus on the Driving and Aerial scenarios respectively. SODA-D includes 24704 high-quality traffic images and 277596 instances of 9 categories. For SODA-A, we harvest 2510 high-resolution aerial images and annotate 800203 instances over 9 classes. The proposed datasets, as we know, are the first-ever attempt to large-scale benchmarks with a vast collection of exhaustively annotated instances tailored for multi-category SOD. Finally, we evaluate the performance of mainstream methods on SODA. We expect the released benchmarks could facilitate the development of SOD and spawn more breakthroughs in this field. Datasets and codes will be available soon at: \url{//shaunyuan22.github.io/SODA}.
Graph neural networks (GNNs) have emerged as a series of competent graph learning methods for diverse real-world scenarios, ranging from daily applications like recommendation systems and question answering to cutting-edge technologies such as drug discovery in life sciences and n-body simulation in astrophysics. However, task performance is not the only requirement for GNNs. Performance-oriented GNNs have exhibited potential adverse effects like vulnerability to adversarial attacks, unexplainable discrimination against disadvantaged groups, or excessive resource consumption in edge computing environments. To avoid these unintentional harms, it is necessary to build competent GNNs characterised by trustworthiness. To this end, we propose a comprehensive roadmap to build trustworthy GNNs from the view of the various computing technologies involved. In this survey, we introduce basic concepts and comprehensively summarise existing efforts for trustworthy GNNs from six aspects, including robustness, explainability, privacy, fairness, accountability, and environmental well-being. Additionally, we highlight the intricate cross-aspect relations between the above six aspects of trustworthy GNNs. Finally, we present a thorough overview of trending directions for facilitating the research and industrialisation of trustworthy GNNs.
Images can convey rich semantics and induce various emotions in viewers. Recently, with the rapid advancement of emotional intelligence and the explosive growth of visual data, extensive research efforts have been dedicated to affective image content analysis (AICA). In this survey, we will comprehensively review the development of AICA in the recent two decades, especially focusing on the state-of-the-art methods with respect to three main challenges -- the affective gap, perception subjectivity, and label noise and absence. We begin with an introduction to the key emotion representation models that have been widely employed in AICA and description of available datasets for performing evaluation with quantitative comparison of label noise and dataset bias. We then summarize and compare the representative approaches on (1) emotion feature extraction, including both handcrafted and deep features, (2) learning methods on dominant emotion recognition, personalized emotion prediction, emotion distribution learning, and learning from noisy data or few labels, and (3) AICA based applications. Finally, we discuss some challenges and promising research directions in the future, such as image content and context understanding, group emotion clustering, and viewer-image interaction.
With the advent of deep neural networks, learning-based approaches for 3D reconstruction have gained popularity. However, unlike for images, in 3D there is no canonical representation which is both computationally and memory efficient yet allows for representing high-resolution geometry of arbitrary topology. Many of the state-of-the-art learning-based 3D reconstruction approaches can hence only represent very coarse 3D geometry or are limited to a restricted domain. In this paper, we propose occupancy networks, a new representation for learning-based 3D reconstruction methods. Occupancy networks implicitly represent the 3D surface as the continuous decision boundary of a deep neural network classifier. In contrast to existing approaches, our representation encodes a description of the 3D output at infinite resolution without excessive memory footprint. We validate that our representation can efficiently encode 3D structure and can be inferred from various kinds of input. Our experiments demonstrate competitive results, both qualitatively and quantitatively, for the challenging tasks of 3D reconstruction from single images, noisy point clouds and coarse discrete voxel grids. We believe that occupancy networks will become a useful tool in a wide variety of learning-based 3D tasks.
小貼士
登錄享
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191