Xu Han

Xiaoxuan Liu, Lianmin Zheng, Dequan Wang et al. · berkeley, tsinghua

Training large neural network (NN) models requires extensive memory resources, and Activation Compressed Training (ACT) is a promising approach to reduce training memory footprint. This paper presents GACT, an ACT framework to support a broad range of machine learning tasks for generic NN architectures with limited domain knowledge. By analyzing a linearized version of ACT's approximate gradient, we prove the convergence of GACT without prior knowledge on operator type or model architecture. To make training stable, we propose an algorithm that decides the compression ratio for each tensor by estimating its impact on the gradient at run time. We implement GACT as a PyTorch library that readily applies to any NN architecture. GACT reduces the activation memory for convolutional NNs, transformers, and graph NNs by up to 8.1x, enabling training with a 4.2x to 24.7x larger batch size, with negligible accuracy loss. We implement GACT as a PyTorch library at https://github.com/LiuXiaoxuanPKU/GACT-ICML.

Xiaozhi Wang, Yulin Chen, Ning Ding et al. · tencent-ai, tsinghua

The diverse relationships among real-world events, including coreference, temporal, causal, and subevent relations, are fundamental to understanding natural languages. However, two drawbacks of existing datasets limit event relation extraction (ERE) tasks: (1) Small scale. Due to the annotation complexity, the data scale of existing datasets is limited, which cannot well train and evaluate data-hungry models. (2) Absence of unified annotation. Different types of event relations naturally interact with each other, but existing datasets only cover limited relation types at once, which prevents models from taking full advantage of relation interactions. To address these issues, we construct a unified large-scale human-annotated ERE dataset MAVEN-ERE with improved annotation schemes. It contains 103,193 event coreference chains, 1,216,217 temporal relations, 57,992 causal relations, and 15,841 subevent relations, which is larger than existing datasets of all the ERE tasks by at least an order of magnitude. Experiments show that ERE on MAVEN-ERE is quite challenging, and considering relation interactions with joint learning can improve performances. The dataset and source codes can be obtained from https://github.com/THU-KEG/MAVEN-ERE.

Yujia Qin, Shengding Hu, Yankai Lin et al. · tsinghua

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. In general, we hope this paper could inspire future research in integrating tools with foundation models.

Han Xu, Abhijit Sarkar, A. Lynn Abbott

This paper addresses the problem of automatically detecting human skin in images without reliance on color information. A primary motivation of the work has been to achieve results that are consistent across the full range of skin tones, even while using a training dataset that is significantly biased toward lighter skin tones. Previous skin-detection methods have used color cues almost exclusively, and we present a new approach that performs well in the absence of such information. A key aspect of the work is dataset repair through augmentation that is applied strategically during training, with the goal of color invariant feature learning to enhance generalization. We have demonstrated the concept using two architectures, and experimental results show improvements in both precision and recall for most Fitzpatrick skin tones in the benchmark ECU dataset. We further tested the system with the RFW dataset to show that the proposed method performs much more consistently across different ethnicities, thereby reducing the chance of bias based on skin color. To demonstrate the effectiveness of our work, extensive experiments were performed on grayscale images as well as images obtained under unconstrained illumination and with artificial filters. Source code: https://github.com/HanXuMartin/Color-Invariant-Skin-Segmentation

Kunlun Zhu, Shihao Liang, Xu Han et al. · tsinghua

Recent years have witnessed the success of question answering (QA), especially its potential to be a foundation paradigm for tackling diverse NLP tasks. However, obtaining sufficient data to build an effective and stable QA system still remains an open problem. For this problem, we introduce an iterative bootstrapping framework for QA data augmentation (named QASnowball), which can iteratively generate large-scale high-quality QA data based on a seed set of supervised examples. Specifically, QASnowball consists of three modules, an answer extractor to extract core phrases in unlabeled documents as candidate answers, a question generator to generate questions based on documents and candidate answers, and a QA data filter to filter out high-quality QA data. Moreover, QASnowball can be self-enhanced by reseeding the seed set to fine-tune itself in different iterations, leading to continual improvements in the generation quality. We conduct experiments in the high-resource English scenario and the medium-resource Chinese scenario, and the experimental results show that the data generated by QASnowball can facilitate QA models: (1) training models on the generated data achieves comparable results to using supervised data, and (2) pre-training on the generated data and fine-tuning on supervised data can achieve better performance. Our code and generated data will be released to advance further work.

Jing Yi, Weize Chen, Yujia Qin et al. · tencent-ai, tsinghua

Delta tuning (DET, also known as parameter-efficient tuning) is deemed as the new paradigm for using pre-trained language models (PLMs). Up to now, various DETs with distinct design elements have been proposed, achieving performance on par with fine-tuning. However, the mechanisms behind the above success are still under-explored, especially the connections among various DETs. To fathom the mystery, we hypothesize that the adaptations of different DETs could all be reparameterized as low-dimensional optimizations in a unified optimization subspace, which could be found by jointly decomposing independent solutions of different DETs. Then we explore the connections among different DETs by conducting optimization within the subspace. In experiments, we find that, for a certain DET, conducting optimization simply in the subspace could achieve comparable performance to its original space, and the found solution in the subspace could be transferred to another DET and achieve non-trivial performance. We also visualize the performance landscape of the subspace and find that there exists a substantial region where different DETs all perform well. Finally, we extend our analysis and show the strong connections between fine-tuning and DETs.

Lingyun Lu, Bang Wang, Zizhuo Zhang et al.

Incorporating knowledge graph as side information has become a new trend in recommendation systems. Recent studies regard items as entities of a knowledge graph and leverage graph neural networks to assist item encoding, yet by considering each relation type individually. However, relation types are often too many and sometimes one relation type involves too few entities. We argue that it is not efficient nor effective to use every relation type for item encoding. In this paper, we propose a VRKG4Rec model (Virtual Relational Knowledge Graphs for Recommendation), which explicitly distinguish the influence of different relations for item representation learning. We first construct virtual relational graphs (VRKGs) by an unsupervised learning scheme. We also design a local weighted smoothing (LWS) mechanism for encoding nodes, which iteratively updates a node embedding only depending on the embedding of its own and its neighbors, but involve no additional training parameters. We also employ the LWS mechanism on a user-item bipartite graph for user representation learning, which utilizes encodings of items with relational knowledge to help training representations of users. Experiment results on two public datasets validate that our VRKG4Rec model outperforms the state-of-the-art methods. The implementations are available at https://github.com/lulu0913/VRKG4Rec.

Han Gao, Xu Han, Jiaoyang Huang et al.

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision transformer, which applies to image patches, we propose a new Transformer-based graph neural network: Patch Graph Transformer (PatchGT). Unlike previous transformer-based models for learning graph representations, PatchGT learns from non-trainable graph patches, not from nodes directly. It can help save computation and improve the model performance. The key idea is to segment a graph into patches based on spectral clustering without any trainable parameters, with which the model can first use GNN layers to learn patch-level representations and then use Transformer to obtain graph-level representations. The architecture leverages the spectral information of graphs and combines the strengths of GNNs and Transformers. Further, we show the limitations of previous hierarchical trainable clusters theoretically and empirically. We also prove the proposed non-trainable spectral clustering method is permutation invariant and can help address the information bottlenecks in the graph. PatchGT achieves higher expressiveness than 1-WL-type GNNs, and the empirical study shows that PatchGT achieves competitive performances on benchmark datasets and provides interpretability to its predictions. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/PatchGT.

Jie Ren, Han Xu, Yuxuan Wan et al.

With more people publishing their personal data online, unauthorized data usage has become a serious concern. The unlearnable strategies have been introduced to prevent third parties from training on the data without permission. They add perturbations to the users' data before publishing, which aims to make the models trained on the perturbed published dataset invalidated. These perturbations have been generated for a specific training setting and a target dataset. However, their unlearnable effects significantly decrease when used in other training settings and datasets. To tackle this issue, we propose a novel unlearnable strategy based on Classwise Separability Discriminant (CSD), which aims to better transfer the unlearnable effects to other training settings and datasets by enhancing the linear separability. Extensive experiments demonstrate the transferability of the proposed unlearnable examples across training settings and datasets.

Wenqi Fan, Xiangyu Zhao, Xiao Chen et al.

As one of the most successful AI-powered applications, recommender systems aim to help people make appropriate decisions in an effective and efficient way, by providing personalized suggestions in many aspects of our lives, especially for various human-oriented online services such as e-commerce platforms and social media sites. In the past few decades, the rapid developments of recommender systems have significantly benefited human by creating economic value, saving time and effort, and promoting social good. However, recent studies have found that data-driven recommender systems can pose serious threats to users and society, such as spreading fake news to manipulate public opinion in social media sites, amplifying unfairness toward under-represented groups or individuals in job matching services, or inferring privacy information from recommendation results. Therefore, systems' trustworthiness has been attracting increasing attention from various aspects for mitigating negative impacts caused by recommender systems, so as to enhance the public's trust towards recommender systems techniques. In this survey, we provide a comprehensive overview of Trustworthy Recommender systems (TRec) with a specific focus on six of the most important aspects; namely, Safety & Robustness, Nondiscrimination & Fairness, Explainability, Privacy, Environmental Well-being, and Accountability & Auditability. For each aspect, we summarize the recent related technologies and discuss potential research directions to help achieve trustworthy recommender systems in the future.

Yaxin Li, Xiaorui Liu, Han Xu et al.

Deep Neural Network (DNN) are vulnerable to adversarial attacks. As a countermeasure, adversarial training aims to achieve robustness based on the min-max optimization problem and it has shown to be one of the most effective defense strategies. However, in this work, we found that compared with natural training, adversarial training fails to learn better feature representations for either clean or adversarial samples, which can be one reason why adversarial training tends to have severe overfitting issues and less satisfied generalize performance. Specifically, we observe two major shortcomings of the features learned by existing adversarial training methods:(1) low intra-class feature similarity; and (2) conservative inter-classes feature variance. To overcome these shortcomings, we introduce a new concept of adversarial training graph (ATG) with which the proposed adversarial training with feature separability (ATFS) enables to coherently boost the intra-class feature similarity and increase inter-class feature variance. Through comprehensive experiments, we demonstrate that the proposed ATFS framework significantly improves both clean and robust performance.

Xu Han, Anmin Liu, Chenxuan Yao et al.

Deep neural networks are known to be vulnerable to adversarial examples crafted by adding human-imperceptible perturbations to the benign input. After achieving nearly 100% attack success rates in white-box setting, more focus is shifted to black-box attacks, of which the transferability of adversarial examples has gained significant attention. In either case, the common gradient-based methods generally use the sign function to generate perturbations on the gradient update, that offers a roughly correct direction and has gained great success. But little work pays attention to its possible limitation. In this work, we observe that the deviation between the original gradient and the generated noise may lead to inaccurate gradient update estimation and suboptimal solutions for adversarial transferability. To this end, we propose a Sampling-based Fast Gradient Rescaling Method (S-FGRM). Specifically, we use data rescaling to substitute the sign function without extra computational cost. We further propose a Depth First Sampling method to eliminate the fluctuation of rescaling and stabilize the gradient update. Our method could be used in any gradient-based attacks and is extensible to be integrated with various input transformation or ensemble methods to further improve the adversarial transferability. Extensive experiments on the standard ImageNet dataset show that our method could significantly boost the transferability of gradient-based attacks and outperform the state-of-the-art baselines.

Xu Han, Anmin Liu, Yifeng Xiong et al.

Deep neural networks have shown to be very vulnerable to adversarial examples crafted by adding human-imperceptible perturbations to benign inputs. After achieving impressive attack success rates in the white-box setting, more focus is shifted to black-box attacks. In either case, the common gradient-based approaches generally use the $sign$ function to generate perturbations at the end of the process. However, only a few works pay attention to the limitation of the $sign$ function. Deviation between the original gradient and the generated noises may lead to inaccurate gradient update estimation and suboptimal solutions for adversarial transferability, which is crucial for black-box attacks. To address this issue, we propose a Sampling-based Fast Gradient Rescaling Method (S-FGRM) to improve the transferability of the crafted adversarial examples. Specifically, we use data rescaling to substitute the inefficient $sign$ function in gradient-based attacks without extra computational cost. We also propose a Depth First Sampling method to eliminate the fluctuation of rescaling and stabilize the gradient update. Our method can be used in any gradient-based optimizations and is extensible to be integrated with various input transformation or ensemble methods for further improving the adversarial transferability. Extensive experiments on the standard ImageNet dataset show that our S-FGRM could significantly boost the transferability of gradient-based attacks and outperform the state-of-the-art baselines.

Han Xu, Pengfei He, Jie Ren et al.

The existence of adversarial examples brings huge concern for people to apply Deep Neural Networks (DNNs) in safety-critical tasks. However, how to generate adversarial examples with categorical data is an important problem but lack of extensive exploration. Previously established methods leverage greedy search method, which can be very time-consuming to conduct successful attack. This also limits the development of adversarial training and potential defenses for categorical data. To tackle this problem, we propose Probabilistic Categorical Adversarial Attack (PCAA), which transfers the discrete optimization problem to a continuous problem that can be solved efficiently by Projected Gradient Descent. In our paper, we theoretically analyze its optimality and time complexity to demonstrate its significant advantage over current greedy based attacks. Moreover, based on our attack, we propose an efficient adversarial training framework. Through a comprehensive empirical study, we justify the effectiveness of our proposed attack and defense algorithms.

Xiaoqian Liu, Xu Han, Eric C. Chi et al.

In 1-bit matrix completion, the aim is to estimate an underlying low-rank matrix from a partial set of binary observations. We propose a novel method for 1-bit matrix completion called Majorization-Minimization Gauss-Newton (MMGN). Our method is based on the majorization-minimization principle, which converts the original optimization problem into a sequence of standard low-rank matrix completion problems. We solve each of these sub-problems by a factorization approach that explicitly enforces the assumed low-rank structure and then apply a Gauss-Newton method. Using simulations and a real data example, we illustrate that in comparison to existing 1-bit matrix completion methods, MMGN outputs comparable if not more accurate estimates. In addition, it is often significantly faster, and less sensitive to the spikiness of the underlying matrix. In comparison with three standard generic optimization approaches that directly minimize the original objective, MMGN also exhibits a clear computational advantage, especially when the fraction of observed entries is small.

Han Xu, Xiaorui Liu, Yuxuan Wan et al.

Fair classification aims to stress the classification models to achieve the equality (treatment or prediction quality) among different sensitive groups. However, fair classification can be under the risk of poisoning attacks that deliberately insert malicious training samples to manipulate the trained classifiers' performance. In this work, we study the poisoning scenario where the attacker can insert a small fraction of samples into training data, with arbitrary sensitive attributes as well as other predictive features. We demonstrate that the fairly trained classifiers can be greatly vulnerable to such poisoning attacks, with much worse accuracy & fairness trade-off, even when we apply some of the most effective defenses (originally proposed to defend traditional classification tasks). As countermeasures to defend fair classification tasks, we propose a general and theoretically guaranteed framework which accommodates traditional defense methods to fair classification against poisoning attacks. Through extensive experiments, the results validate that the proposed defense framework obtains better robustness in terms of accuracy and fairness than representative baseline methods.

Zhiyu Yang, Zihan Zhou, Shuo Wang et al.

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs) for scientific data visualization remains rather unexplored. In this study, we introduce MatPlotAgent, an efficient model-agnostic LLM agent framework designed to automate scientific data visualization tasks. Leveraging the capabilities of both code LLMs and multi-modal LLMs, MatPlotAgent consists of three core modules: query understanding, code generation with iterative debugging, and a visual feedback mechanism for error correction. To address the lack of benchmarks in this field, we present MatPlotBench, a high-quality benchmark consisting of 100 human-verified test cases. Additionally, we introduce a scoring approach that utilizes GPT-4V for automatic evaluation. Experimental results demonstrate that MatPlotAgent can improve the performance of various LLMs, including both commercial and open-source models. Furthermore, the proposed evaluation method shows a strong correlation with human-annotated scores.

Han Xu, Menghai Pan, Zhimeng Jiang et al.

The existence of adversarial attacks (or adversarial examples) brings huge concern about the machine learning (ML) model's safety issues. For many safety-critical ML tasks, such as financial forecasting, fraudulent detection, and anomaly detection, the data samples are usually mixed-type, which contain plenty of numerical and categorical features at the same time. However, how to generate adversarial examples with mixed-type data is still seldom studied. In this paper, we propose a novel attack algorithm M-Attack, which can effectively generate adversarial examples in mixed-type data. Based on M-Attack, attackers can attempt to mislead the targeted classification model's prediction, by only slightly perturbing both the numerical and categorical features in the given data samples. More importantly, by adding designed regularizations, our generated adversarial examples can evade potential detection models, which makes the attack indeed insidious. Through extensive empirical studies, we validate the effectiveness and efficiency of our attack method and evaluate the robustness of existing classification models against our proposed attack. The experimental results highlight the feasibility of generating adversarial examples toward machine learning models in real-world applications.

Yudi Zhang, Weilin Zhao, Xu Han et al. · tsinghua

Speculative decoding and quantization effectively accelerate memory-bound inference of large language models. Speculative decoding mitigates the memory bandwidth bottleneck by verifying multiple tokens within a single forward pass, which increases computational effort. Quantization achieves this optimization by compressing weights and activations into lower bit-widths and also reduces computations via low-bit matrix multiplications. To further leverage their strengths, we investigate the integration of these two techniques. Surprisingly, experiments applying the advanced speculative decoding method EAGLE-2 to various quantized models reveal that the memory benefits from 4-bit weight quantization are diminished by the computational load from speculative decoding. Specifically, verifying a tree-style draft incurs significantly more time overhead than a single-token forward pass on 4-bit weight quantized models. This finding led to our new speculative decoding design: a hierarchical framework that employs a small model as an intermediate stage to turn tree-style drafts into sequence drafts, leveraging the memory access benefits of the target quantized model. Experimental results show that our hierarchical approach achieves a 2.78$\times$ speedup across various tasks for the 4-bit weight Llama-3-70B model on an A100 GPU, outperforming EAGLE-2 by 1.31$\times$. Code available at https://github.com/AI9Stars/SpecMQuant.

Zhengyan Zhang, Yuxian Gu, Xu Han et al.

In recent years, the size of pre-trained language models (PLMs) has grown by leaps and bounds. However, efficiency issues of these large-scale PLMs limit their utilization in real-world scenarios. We present a suite of cost-effective techniques for the use of PLMs to deal with the efficiency issues of pre-training, fine-tuning, and inference. (1) We introduce knowledge inheritance to accelerate the pre-training process by exploiting existing PLMs instead of training models from scratch. (2) We explore the best practice of prompt tuning with large-scale PLMs. Compared with conventional fine-tuning, prompt tuning significantly reduces the number of task-specific parameters. (3) We implement a new inference toolkit, namely InfMoE, for using large-scale PLMs with limited computational resources. Based on our cost-effective pipeline, we pre-train two models: an encoder-decoder bilingual model with 11 billion parameters (CPM-2) and its corresponding MoE version with 198 billion parameters. In our experiments, we compare CPM-2 with mT5 on downstream tasks. Experimental results show that CPM-2 has excellent general language intelligence. Moreover, we validate the efficiency of InfMoE when conducting inference of large-scale models having tens of billions of parameters on a single GPU. All source code and model parameters are available at https://github.com/TsinghuaAI/CPM.

Hao Xiang, Zhaoliang Zheng, Xin Xia et al.

Recent advancements in Vehicle-to-Everything (V2X) technologies have enabled autonomous vehicles to share sensing information to see through occlusions, greatly boosting the perception capability. However, there are no real-world datasets to facilitate the real V2X cooperative perception research -- existing datasets either only support Vehicle-to-Infrastructure cooperation or Vehicle-to-Vehicle cooperation. In this paper, we present V2X-Real, a large-scale dataset that includes a mixture of multiple vehicles and smart infrastructure to facilitate the V2X cooperative perception development with multi-modality sensing data. Our V2X-Real is collected using two connected automated vehicles and two smart infrastructure, which are all equipped with multi-modal sensors including LiDAR sensors and multi-view cameras. The whole dataset contains 33K LiDAR frames and 171K camera data with over 1.2M annotated bounding boxes of 10 categories in very challenging urban scenarios. According to the collaboration mode and ego perspective, we derive four types of datasets for Vehicle-Centric, Infrastructure-Centric, Vehicle-to-Vehicle, and Infrastructure-to-Infrastructure cooperative perception. Comprehensive multi-class multi-agent benchmarks of SOTA cooperative perception methods are provided. The V2X-Real dataset and codebase are available at https://mobility-lab.seas.ucla.edu/v2x-real.

Zhengyan Zhang, Yixin Song, Guanghui Yu et al. · tencent-ai

Sparse computation offers a compelling solution for the inference of Large Language Models (LLMs) in low-resource scenarios by dynamically skipping the computation of inactive neurons. While traditional approaches focus on ReLU-based LLMs, leveraging zeros in activation values, we broaden the scope of sparse LLMs beyond zero activation values. We introduce a general method that defines neuron activation through neuron output magnitudes and a tailored magnitude threshold, demonstrating that non-ReLU LLMs also exhibit sparse activation. To find the most efficient activation function for sparse computation, we propose a systematic framework to examine the sparsity of LLMs from three aspects: the trade-off between sparsity and performance, the predictivity of sparsity, and the hardware affinity. We conduct thorough experiments on LLMs utilizing different activation functions, including ReLU, SwiGLU, ReGLU, and ReLU$^2$. The results indicate that models employing ReLU$^2$ excel across all three evaluation aspects, highlighting its potential as an efficient activation function for sparse LLMs. We will release the code to facilitate future research.

Yuancheng Sun, Yuxuan Ren, Zhaoming Chen et al.

Accurate exploration of protein conformational ensembles is essential for uncovering function but remains hard because molecular-dynamics (MD) simulations suffer from high computational costs and energy-barrier trapping. This paper presents Energy Preference Optimization (EPO), an online refinement algorithm that turns a pretrained protein ensemble generator into an energy-aware sampler without extra MD trajectories. Specifically, EPO leverages stochastic differential equation sampling to explore the conformational landscape and incorporates a novel energy-ranking mechanism based on list-wise preference optimization. Crucially, EPO introduces a practical upper bound to efficiently approximate the intractable probability of long sampling trajectories in continuous-time generative models, making it easily adaptable to existing pretrained generators. On Tetrapeptides, ATLAS, and Fast-Folding benchmarks, EPO successfully generates diverse and physically realistic ensembles, establishing a new state-of-the-art in nine evaluation metrics. These results demonstrate that energy-only preference signals can efficiently steer generative models toward thermodynamically consistent conformational ensembles, providing an alternative to long MD simulations and widening the applicability of learned potentials in structural biology and drug discovery.

Xiao-Qi Han, Xin-De Wang, Meng-Yuan Xu et al.

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of freedom such as lattice, charge, spin, symmetry, and topology. This poses significant challenges for the inverse design methods of materials. Humans have long explored new materials through a large number of experiments and proposed corresponding theoretical systems to predict new material properties and structures. With the improvement of computational power, researchers have gradually developed various electronic structure calculation methods, such as the density functional theory and high-throughput computational methods. Recently, the rapid development of artificial intelligence technology in the field of computer science has enabled the effective characterization of the implicit association between material properties and structures, thus opening up an efficient paradigm for the inverse design of functional materials. A significant progress has been made in inverse design of materials based on generative and discriminative models, attracting widespread attention from researchers. Considering this rapid technological progress, in this survey, we look back on the latest advancements in AI-driven inverse design of materials by introducing the background, key findings, and mainstream technological development routes. In addition, we summarize the remaining issues for future directions. This survey provides the latest overview of AI-driven inverse design of materials, which can serve as a useful resource for researchers.

Runsheng Xu, Hao Xiang, Xin Xia et al.

Employing Vehicle-to-Vehicle communication to enhance perception performance in self-driving technology has attracted considerable attention recently; however, the absence of a suitable open dataset for benchmarking algorithms has made it difficult to develop and assess cooperative perception technologies. To this end, we present the first large-scale open simulated dataset for Vehicle-to-Vehicle perception. It contains over 70 interesting scenes, 11,464 frames, and 232,913 annotated 3D vehicle bounding boxes, collected from 8 towns in CARLA and a digital town of Culver City, Los Angeles. We then construct a comprehensive benchmark with a total of 16 implemented models to evaluate several information fusion strategies~(i.e. early, late, and intermediate fusion) with state-of-the-art LiDAR detection algorithms. Moreover, we propose a new Attentive Intermediate Fusion pipeline to aggregate information from multiple connected vehicles. Our experiments show that the proposed pipeline can be easily integrated with existing 3D LiDAR detectors and achieve outstanding performance even with large compression rates. To encourage more researchers to investigate Vehicle-to-Vehicle perception, we will release the dataset, benchmark methods, and all related codes in https://mobility-lab.seas.ucla.edu/opv2v/.

Weize Chen, Xu Han, Yankai Lin et al.

Hyperbolic neural networks have shown great potential for modeling complex data. However, existing hyperbolic networks are not completely hyperbolic, as they encode features in a hyperbolic space yet formalize most of their operations in the tangent space (a Euclidean subspace) at the origin of the hyperbolic space. This hybrid method greatly limits the modeling ability of networks. In this paper, we propose a fully hyperbolic framework to build hyperbolic networks based on the Lorentz model by adapting the Lorentz transformations (including boost and rotation) to formalize essential operations of neural networks. Moreover, we also prove that linear transformation in tangent spaces used by existing hyperbolic networks is a relaxation of the Lorentz rotation and does not include the boost, implicitly limiting the capabilities of existing hyperbolic networks. The experimental results on four NLP tasks show that our method has better performance for building both shallow and deep networks. Our code will be released to facilitate follow-up research.

Yujia Qin, Yankai Lin, Jing Yi et al.

Recent explorations of large-scale pre-trained language models (PLMs) have revealed the power of PLMs with huge amounts of parameters, setting off a wave of training ever-larger PLMs. However, it requires tremendous computational resources to train a large-scale PLM, which may be practically unaffordable. In addition, existing large-scale PLMs are mainly trained from scratch individually, ignoring that many well-trained PLMs are available. To this end, we explore the question how could existing PLMs benefit training large-scale PLMs in future. Specifically, we introduce a pre-training framework named "knowledge inheritance" (KI) and explore how could knowledge distillation serve as auxiliary supervision during pre-training to efficiently learn larger PLMs. Experimental results demonstrate the superiority of KI in training efficiency. We also conduct empirical analyses to explore the effects of teacher PLMs' pre-training settings, including model architecture, pre-training data, etc. Finally, we show that KI could be applied to domain adaptation and knowledge transfer.

Xu Zhou, Pengfei Wang, Chenyifan Liu et al.

Recent research has sought to improve fuzzing performance via parallel computing. However, researchers focus on improving efficiency while ignoring the increasing cost of testing resources. Parallel fuzzing in the distributed environment amplifies the resource-wasting problem caused by the random nature of fuzzing. In the parallel mode, owing to the lack of an appropriate task dispatching scheme and timely fuzzing status synchronization among different fuzzing instances, task conflicts and workload imbalance occur, making the resource-wasting problem severe. In this paper, we design UltraFuzz, a fuzzer for resource-saving in distributed fuzzing. Based on centralized dynamic scheduling, UltraFuzz can dispatch tasks and schedule power globally and reasonably to avoid resource-wasting. Besides, UltraFuzz can elastically allocate computing power for fuzzing and seed evaluation, thereby avoiding the potential bottleneck of seed evaluation that blocks the fuzzing process. UltraFuzz was evaluated using real-world programs, and the results show that with the same testing resource, UltraFuzz outperforms state-of-the-art tools, such as AFL, AFL-P, PAFL, and EnFuzz. Most importantly, the experiment reveals certain results that seem counter-intuitive, namely that parallel fuzzing can achieve ``super-linear acceleration'' when compared with single-core fuzzing. We conduct additional experiments to reveal the deep reasons behind this phenomenon and dig deep into the inherent advantages of parallel fuzzing over serial fuzzing, including the global optimization of seed energy scheduling and the escape of local optimal seed. Additionally, 24 real-world vulnerabilities were discovered using UltraFuzz.

Xu Han, Zhengyang Shen, Zhenlin Xu et al.

Registration of images with pathologies is challenging due to tissue appearance changes and missing correspondences caused by the pathologies. Moreover, mass effects as observed for brain tumors may displace tissue, creating larger deformations over time than what is observed in a healthy brain. Deep learning models have successfully been applied to image registration to offer dramatic speed up and to use surrogate information (e.g., segmentations) during training. However, existing approaches focus on learning registration models using images from healthy patients. They are therefore not designed for the registration of images with strong pathologies for example in the context of brain tumors, and traumatic brain injuries. In this work, we explore a deep learning approach to register images with brain tumors to an atlas. Our model learns an appearance mapping from images with tumors to the atlas, while simultaneously predicting the transformation to atlas space. Using separate decoders, the network disentangles the tumor mass effect from the reconstruction of quasi-normal images. Results on both synthetic and real brain tumor scans show that our approach outperforms cost function masking for registration to the atlas and that reconstructed quasi-normal images can be used for better longitudinal registrations.

Xu Han, Xiao Yang, Stephen Aylward et al.

Registration involving one or more images containing pathologies is challenging, as standard image similarity measures and spatial transforms cannot account for common changes due to pathologies. Low-rank/Sparse (LRS) decomposition removes pathologies prior to registration; however, LRS is memory-demanding and slow, which limits its use on larger data sets. Additionally, LRS blurs normal tissue regions, which may degrade registration performance. This paper proposes an efficient alternative to LRS: (1) normal tissue appearance is captured by principal component analysis (PCA) and (2) blurring is avoided by an integrated model for pathology removal and image reconstruction. Results on synthetic and BRATS 2015 data demonstrate its utility.