Augmentation is an effective alternative to utilize the small amount of labeled protein data. However, most of the existing work focuses on design-ing new architectures or pre-training tasks, and relatively little work has studied data augmentation for proteins. This paper extends data augmentation techniques previously used for images and texts to proteins and then benchmarks these techniques on a variety of protein-related tasks, providing the first comprehensive evaluation of protein augmentation. Furthermore, we propose two novel semantic-level protein augmentation methods, namely Integrated Gradients Substitution and Back Translation Substitution, which enable protein semantic-aware augmentation through saliency detection and biological knowledge. Finally, we integrate extended and proposed augmentations into an augmentation pool and propose a simple but effective framework, namely Automated Protein Augmentation (APA), which can adaptively select the most suitable augmentation combinations for different tasks. Extensive experiments have shown that APA enhances the performance of five protein related tasks by an average of 10.55% across three architectures compared to vanilla implementations without augmentation, highlighting its potential to make a great impact on the field.
Sky survey telescopes play a critical role in modern astronomy, but misalignment of their optical elements can introduce significant variations in point spread functions, leading to reduced data quality. To address this, we need a method to obtain misalignment states, aiding in the reconstruction of accurate point spread functions for data processing methods or facilitating adjustments of optical components for improved image quality. Since sky survey telescopes consist of many optical elements, they result in a vast array of potential misalignment states, some of which are intricately coupled, posing detection challenges. However, by continuously adjusting the misalignment states of optical elements, we can disentangle coupled states. Based on this principle, we propose a deep neural network to extract misalignment states from continuously varying point spread functions in different field of views. To ensure sufficient and diverse training data, we recommend employing a digital twin to obtain data for neural network training. Additionally, we introduce the state graph to store misalignment data and explore complex relationships between misalignment states and corresponding point spread functions, guiding the generation of training data from experiments. Once trained, the neural network estimates misalignment states from observation data, regardless of the impacts caused by atmospheric turbulence, noise, and limited spatial sampling rates in the detector. The method proposed in this paper could be used to provide prior information for the active optics system and the optical system alignment.
Recent works have shown that Large Language Models (LLMs) could empower traditional neuro-symbolic models via programming capabilities to translate language into module descriptions, thus achieving strong visual reasoning results while maintaining the model's transparency and efficiency. However, these models usually exhaustively generate the entire code snippet given each new instance of a task, which is extremely ineffective. We propose generative neuro-symbolic visual reasoning by growing and reusing modules. Specifically, our model consists of three unique stages, module initialization, module generation, and module execution. First, given a vision-language task, we adopt LLMs to examine whether we could reuse and grow over established modules to handle this new task. If not, we initialize a new module needed by the task and specify the inputs and outputs of this new module. After that, the new module is created by querying LLMs to generate corresponding code snippets that match the requirements. In order to get a better sense of the new module's ability, we treat few-shot training examples as test cases to see if our new module could pass these cases. If yes, the new module is added to the module library for future reuse. Finally, we evaluate the performance of our model on the testing set by executing the parsed programs with the newly made visual modules to get the results. We find the proposed model possesses several advantages. First, it performs competitively on standard tasks like visual question answering and referring expression comprehension; Second, the modules learned from one task can be seamlessly transferred to new tasks; Last but not least, it is able to adapt to new visual reasoning tasks by observing a few training examples and reusing modules.
While enabling large language models to implement function calling (known as APIs) can greatly enhance the performance of LLMs, function calling is still a challenging task due to the complicated relations between different APIs, especially in a context-learning setting without fine-tuning. This paper proposes a simple yet controllable target-driven approach called Reverse Chain to empower LLMs with capabilities to use external APIs with only prompts. Given that most open-source LLMs have limited tool-use or tool-plan capabilities, LLMs in Reverse Chain are only employed to implement simple tasks, e.g., API selection and argument completion, and a generic rule is employed to implement a controllable multiple functions calling. In this generic rule, after selecting a final API to handle a given task via LLMs, we first ask LLMs to fill the required arguments from user query and context. Some missing arguments could be further completed by letting LLMs select another API based on API description before asking user. This process continues until a given task is completed. Extensive numerical experiments indicate an impressive capability of Reverse Chain on implementing multiple function calling. Interestingly enough, the experiments also reveal that tool-use capabilities of the existing LLMs, e.g., ChatGPT, can be greatly improved via Reverse Chain.
With the rapid development of Large Language Models (LLMs), increasing attention has been paid to their safety concerns. Consequently, evaluating the safety of LLMs has become an essential task for facilitating the broad applications of LLMs. Nevertheless, the absence of comprehensive safety evaluation benchmarks poses a significant impediment to effectively assess and enhance the safety of LLMs. In this work, we present SafetyBench, a comprehensive benchmark for evaluating the safety of LLMs, which comprises 11,435 diverse multiple choice questions spanning across 7 distinct categories of safety concerns. Notably, SafetyBench also incorporates both Chinese and English data, facilitating the evaluation in both languages. Our extensive tests over 25 popular Chinese and English LLMs in both zero-shot and few-shot settings reveal a substantial performance advantage for GPT-4 over its counterparts, and there is still significant room for improving the safety of current LLMs. We believe SafetyBench will enable fast and comprehensive evaluation of LLMs' safety, and foster the development of safer LLMs. Data and evaluation guidelines are available at https://github.com/thu-coai/SafetyBench. Submission entrance and leaderboard are available at https://llmbench.ai/safety.
Given $n$ observations from two balanced classes, consider the task of labeling an additional $m$ inputs that are known to all belong to \emph{one} of the two classes. Special cases of this problem are well-known: with complete knowledge of class distributions ($n=\infty$) the problem is solved optimally by the likelihood-ratio test; when $m=1$ it corresponds to binary classification; and when $m\approx n$ it is equivalent to two-sample testing. The intermediate settings occur in the field of likelihood-free inference, where labeled samples are obtained by running forward simulations and the unlabeled sample is collected experimentally. In recent work it was discovered that there is a fundamental trade-off between $m$ and $n$: increasing the data sample $m$ reduces the amount $n$ of training/simulation data needed. In this work we (a) introduce a generalization where unlabeled samples come from a mixture of the two classes -- a case often encountered in practice; (b) study the minimax sample complexity for non-parametric classes of densities under \textit{maximum mean discrepancy} (MMD) separation; and (c) investigate the empirical performance of kernels parameterized by neural networks on two tasks: detection of the Higgs boson and detection of planted DDPM generated images amidst CIFAR-10 images. For both problems we confirm the existence of the theoretically predicted asymmetric $m$ vs $n$ trade-off.
Vision-language tasks, such as VQA, SNLI-VE, and VCR are challenging because they require the model's reasoning ability to understand the semantics of the visual world and natural language. Supervised methods working for vision-language tasks have been well-studied. However, solving these tasks in a zero-shot setting is less explored. Since Contrastive Language-Image Pre-training (CLIP) has shown remarkable zero-shot performance on image-text matching, previous works utilized its strong zero-shot ability by converting vision-language tasks into an image-text matching problem, and they mainly consider global-level matching (e.g., the whole image or sentence). However, we find visual and textual fine-grained information, e.g., keywords in the sentence and objects in the image, can be fairly informative for semantics understanding. Inspired by this, we propose a unified framework to take advantage of the fine-grained information for zero-shot vision-language learning, covering multiple tasks such as VQA, SNLI-VE, and VCR. Our experiments show that our framework outperforms former zero-shot methods on VQA and achieves substantial improvement on SNLI-VE and VCR. Furthermore, our ablation studies confirm the effectiveness and generalizability of our proposed method. Code will be available at https://github.com/ThreeSR/UniFine
The hybrid architecture of convolution neural networks (CNN) and Transformer has been the most popular method for medical image segmentation. However, the existing networks based on the hybrid architecture suffer from two problems. First, although the CNN branch can capture image local features by using convolution operation, the vanilla convolution is unable to achieve adaptive extraction of image features. Second, although the Transformer branch can model the global information of images, the conventional self-attention only focuses on the spatial self-attention of images and ignores the channel and cross-dimensional self-attention leading to low segmentation accuracy for medical images with complex backgrounds. To solve these problems, we propose vision Transformer embrace convolutional neural networks for medical image segmentation (TEC-Net). Our network has two advantages. First, dynamic deformable convolution (DDConv) is designed in the CNN branch, which not only overcomes the difficulty of adaptive feature extraction using fixed-size convolution kernels, but also solves the defect that different inputs share the same convolution kernel parameters, effectively improving the feature expression ability of CNN branch. Second, in the Transformer branch, a (shifted)-window adaptive complementary attention module ((S)W-ACAM) and compact convolutional projection are designed to enable the network to fully learn the cross-dimensional long-range dependency of medical images with few parameters and calculations. Experimental results show that the proposed TEC-Net provides better medical image segmentation results than SOTA methods including CNN and Transformer networks. In addition, our TEC-Net requires fewer parameters and computational costs and does not rely on pre-training. The code is publicly available at https://github.com/SR0920/TEC-Net.
The hybrid architecture of convolutional neural networks (CNNs) and Transformer are very popular for medical image segmentation. However, it suffers from two challenges. First, although a CNNs branch can capture the local image features using vanilla convolution, it cannot achieve adaptive feature learning. Second, although a Transformer branch can capture the global features, it ignores the channel and cross-dimensional self-attention, resulting in a low segmentation accuracy on complex-content images. To address these challenges, we propose a novel hybrid architecture of convolutional neural networks hand in hand with vision Transformers (CiT-Net) for medical image segmentation. Our network has two advantages. First, we design a dynamic deformable convolution and apply it to the CNNs branch, which overcomes the weak feature extraction ability due to fixed-size convolution kernels and the stiff design of sharing kernel parameters among different inputs. Second, we design a shifted-window adaptive complementary attention module and a compact convolutional projection. We apply them to the Transformer branch to learn the cross-dimensional long-term dependency for medical images. Experimental results show that our CiT-Net provides better medical image segmentation results than popular SOTA methods. Besides, our CiT-Net requires lower parameters and less computational costs and does not rely on pre-training. The code is publicly available at https://github.com/SR0920/CiT-Net.
It is widely reported that deep generative models can classify out-of-distribution (OOD) samples as in-distribution with high confidence. In this work, we propose a hypothesis that this phenomenon is due to the reconstruction task, which can cause the generative model to focus too much on low-level features and not enough on semantic information. To address this issue, we introduce SR-OOD, an OOD detection framework that utilizes sample repairing to encourage the generative model to learn more than just an identity map. By focusing on semantics, our framework improves OOD detection performance without external data and label information. Our experimental results demonstrate the competitiveness of our approach in detecting OOD samples.