Jie Wang

LG
h-index46
278papers
23,480citations
Novelty50%
AI Score63

278 Papers

AIJul 31, 2024
The Llama 3 Herd of Models

Aaron Grattafiori, Abhimanyu Dubey, Abhinav Jauhri et al. · allen-ai, berkeley

Modern artificial intelligence (AI) systems are powered by foundation models. This paper presents a new set of foundation models, called Llama 3. It is a herd of language models that natively support multilinguality, coding, reasoning, and tool usage. Our largest model is a dense Transformer with 405B parameters and a context window of up to 128K tokens. This paper presents an extensive empirical evaluation of Llama 3. We find that Llama 3 delivers comparable quality to leading language models such as GPT-4 on a plethora of tasks. We publicly release Llama 3, including pre-trained and post-trained versions of the 405B parameter language model and our Llama Guard 3 model for input and output safety. The paper also presents the results of experiments in which we integrate image, video, and speech capabilities into Llama 3 via a compositional approach. We observe this approach performs competitively with the state-of-the-art on image, video, and speech recognition tasks. The resulting models are not yet being broadly released as they are still under development.

LGFeb 2, 2023
De Novo Molecular Generation via Connection-aware Motif Mining

Zijie Geng, Shufang Xie, Yingce Xia et al. · microsoft-research

De novo molecular generation is an essential task for science discovery. Recently, fragment-based deep generative models have attracted much research attention due to their flexibility in generating novel molecules based on existing molecule fragments. However, the motif vocabulary, i.e., the collection of frequent fragments, is usually built upon heuristic rules, which brings difficulties to capturing common substructures from large amounts of molecules. In this work, we propose a new method, MiCaM, to generate molecules based on mined connection-aware motifs. Specifically, it leverages a data-driven algorithm to automatically discover motifs from a molecule library by iteratively merging subgraphs based on their frequency. The obtained motif vocabulary consists of not only molecular motifs (i.e., the frequent fragments), but also their connection information, indicating how the motifs are connected with each other. Based on the mined connection-aware motifs, MiCaM builds a connection-aware generator, which simultaneously picks up motifs and determines how they are connected. We test our method on distribution-learning benchmarks (i.e., generating novel molecules to resemble the distribution of a given training set) and goal-directed benchmarks (i.e., generating molecules with target properties), and achieve significant improvements over previous fragment-based baselines. Furthermore, we demonstrate that our method can effectively mine domain-specific motifs for different tasks.

LGJun 26, 2022Code
FlowX: Towards Explainable Graph Neural Networks via Message Flows

Shurui Gui, Hao Yuan, Jie Wang et al.

We investigate the explainability of graph neural networks (GNNs) as a step toward elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent functional mechanism of GNNs, message flows are more natural for performing explainability. To this end, we propose a novel method here, known as FlowX, to explain GNNs by identifying important message flows. To quantify the importance of flows, we propose to follow the philosophy of Shapley values from cooperative game theory. To tackle the complexity of computing all coalitions' marginal contributions, we propose a flow sampling scheme to compute Shapley value approximations as initial assessments of further training. We then propose an information-controlled learning algorithm to train flow scores toward diverse explanation targets: necessary or sufficient explanations. Experimental studies on both synthetic and real-world datasets demonstrate that our proposed FlowX and its variants lead to improved explainability of GNNs. The code is available at https://github.com/divelab/DIG.

AIMay 28
Opt-Verifier: Unleashing the Power of LLMs for Optimization Modeling via Dual-Side Verification

Haoyang Liu, Jie Wang, Boxuan Niu et al.

Building mathematical optimization models is critical in operations research (OR), while it requires substantial human expertise. Recent advancements have utilized large language models (LLMs) to automate this modeling process. However, existing works often struggle to verify the correctness of the generated optimization models, without checking the rationality of the constraints and variables or the validity of solutions to the generated models. This hampers the subsequent verification and correction steps, and thus it severely hurts the modeling accuracy. To address this challenge, we propose a novel LLM-based framework with Dual-side Verification (Opt-Verifier) from both structure and solution perspectives, thereby improving the modeling accuracy. The structure-side verification ensures that the modeling structure of the generated optimization models aligns with the original problem description, accurately capturing the problem's constraints and requirements. Meanwhile, the solution-side verification interprets and evaluates the solutions' validity, confirming that the optimization models are logically and mathematically sound. Experiments on popular benchmarks demonstrate that our approach achieves over 20\% improvement in accuracy.

CVSep 22, 2022Code
FusionRCNN: LiDAR-Camera Fusion for Two-stage 3D Object Detection

Xinli Xu, Shaocong Dong, Lihe Ding et al.

3D object detection with multi-sensors is essential for an accurate and reliable perception system of autonomous driving and robotics. Existing 3D detectors significantly improve the accuracy by adopting a two-stage paradigm which merely relies on LiDAR point clouds for 3D proposal refinement. Though impressive, the sparsity of point clouds, especially for the points far away, making it difficult for the LiDAR-only refinement module to accurately recognize and locate objects.To address this problem, we propose a novel multi-modality two-stage approach named FusionRCNN, which effectively and efficiently fuses point clouds and camera images in the Regions of Interest(RoI). FusionRCNN adaptively integrates both sparse geometry information from LiDAR and dense texture information from camera in a unified attention mechanism. Specifically, it first utilizes RoIPooling to obtain an image set with a unified size and gets the point set by sampling raw points within proposals in the RoI extraction step; then leverages an intra-modality self-attention to enhance the domain-specific features, following by a well-designed cross-attention to fuse the information from two modalities.FusionRCNN is fundamentally plug-and-play and supports different one-stage methods with almost no architectural changes. Extensive experiments on KITTI and Waymo benchmarks demonstrate that our method significantly boosts the performances of popular detectors.Remarkably, FusionRCNN significantly improves the strong SECOND baseline by 6.14% mAP on Waymo, and outperforms competing two-stage approaches. Code will be released soon at https://github.com/xxlbigbrother/Fusion-RCNN.

ROMar 10Code
TiPToP: A Modular Open-Vocabulary Planning System for Robotic Manipulation

William Shen, Nishanth Kumar, Sahit Chintalapudi et al.

We present TiPToP, an extensible modular system that combines pretrained vision foundation models with an existing Task and Motion Planner (TAMP) to solve multi-step manipulation tasks directly from input RGB images and natural-language instructions. Our system aims to be simple and easy-to-use: it can be installed and run on a standard DROID setup in under one hour and adapted to new embodiments with minimal effort. We evaluate TiPToP -- which requires zero robot data -- over 28 tabletop manipulation tasks in simulation and the real world and find it matches or outperforms $π_{0.5}\text{-DROID}$, a vision-language-action (VLA) model fine-tuned on 350 hours of embodiment-specific demonstrations. TiPToP's modular architecture enables us to analyze the system's failure modes at the component level. We analyze results from an evaluation of 173 trials and identify directions for improvement. We release TiPToP open-source to further research on modular manipulation systems and tighter integration between learning and planning. Project website and code: https://tiptop-robot.github.io

CVApr 29, 2022Code
C3-STISR: Scene Text Image Super-resolution with Triple Clues

Minyi Zhao, Miao Wang, Fan Bai et al.

Scene text image super-resolution (STISR) has been regarded as an important pre-processing task for text recognition from low-resolution scene text images. Most recent approaches use the recognizer's feedback as clues to guide super-resolution. However, directly using recognition clue has two problems: 1) Compatibility. It is in the form of probability distribution, has an obvious modal gap with STISR - a pixel-level task; 2) Inaccuracy. it usually contains wrong information, thus will mislead the main task and degrade super-resolution performance. In this paper, we present a novel method C3-STISR that jointly exploits the recognizer's feedback, visual and linguistical information as clues to guide super-resolution. Here, visual clue is from the images of texts predicted by the recognizer, which is informative and more compatible with the STISR task; while linguistical clue is generated by a pre-trained character-level language model, which is able to correct the predicted texts. We design effective extraction and fusion mechanisms for the triple cross-modal clues to generate a comprehensive and unified guidance for super-resolution. Extensive experiments on TextZoom show that C3-STISR outperforms the SOTA methods in fidelity and recognition performance. Code is available in https://github.com/zhaominyiz/C3-STISR.

CVSep 2, 2022Code
Contrastive Semantic-Guided Image Smoothing Network

Jie Wang, Yongzhen Wang, Yidan Feng et al.

Image smoothing is a fundamental low-level vision task that aims to preserve salient structures of an image while removing insignificant details. Deep learning has been explored in image smoothing to deal with the complex entanglement of semantic structures and trivial details. However, current methods neglect two important facts in smoothing: 1) naive pixel-level regression supervised by the limited number of high-quality smoothing ground-truth could lead to domain shift and cause generalization problems towards real-world images; 2) texture appearance is closely related to object semantics, so that image smoothing requires awareness of semantic difference to apply adaptive smoothing strengths. To address these issues, we propose a novel Contrastive Semantic-Guided Image Smoothing Network (CSGIS-Net) that combines both contrastive prior and semantic prior to facilitate robust image smoothing. The supervision signal is augmented by leveraging undesired smoothing effects as negative teachers, and by incorporating segmentation tasks to encourage semantic distinctiveness. To realize the proposed network, we also enrich the original VOC dataset with texture enhancement and smoothing labels, namely VOC-smooth, which first bridges image smoothing and semantic segmentation. Extensive experiments demonstrate that the proposed CSGIS-Net outperforms state-of-the-art algorithms by a large margin. Code and dataset are available at https://github.com/wangjie6866/CSGIS-Net.

CVJul 10, 2024Code
Dual-stage Hyperspectral Image Classification Model with Spectral Supertoken

Peifu Liu, Tingfa Xu, Jie Wang et al.

Hyperspectral image classification, a task that assigns pre-defined classes to each pixel in a hyperspectral image of remote sensing scenes, often faces challenges due to the neglect of correlations between spectrally similar pixels. This oversight can lead to inaccurate edge definitions and difficulties in managing minor spectral variations in contiguous areas. To address these issues, we introduce the novel Dual-stage Spectral Supertoken Classifier (DSTC), inspired by superpixel concepts. DSTC employs spectrum-derivative-based pixel clustering to group pixels with similar spectral characteristics into spectral supertokens. By projecting the classification of these tokens onto the image space, we achieve pixel-level results that maintain regional classification consistency and precise boundary. Moreover, recognizing the diversity within tokens, we propose a class-proportion-based soft label. This label adaptively assigns weights to different categories based on their prevalence, effectively managing data distribution imbalances and enhancing classification performance. Comprehensive experiments on WHU-OHS, IP, KSC, and UP datasets corroborate the robust classification capabilities of DSTC and the effectiveness of its individual components. Code will be publicly available at https://github.com/laprf/DSTC.

LGFeb 1, 2023
Learning Cut Selection for Mixed-Integer Linear Programming via Hierarchical Sequence Model

Zhihai Wang, Xijun Li, Jie Wang et al.

Cutting planes (cuts) are important for solving mixed-integer linear programs (MILPs), which formulate a wide range of important real-world applications. Cut selection -- which aims to select a proper subset of the candidate cuts to improve the efficiency of solving MILPs -- heavily depends on (P1) which cuts should be preferred, and (P2) how many cuts should be selected. Although many modern MILP solvers tackle (P1)-(P2) by manually designed heuristics, machine learning offers a promising approach to learn more effective heuristics from MILPs collected from specific applications. However, many existing learning-based methods focus on learning which cuts should be preferred, neglecting the importance of learning the number of cuts that should be selected. Moreover, we observe from extensive empirical results that (P3) what order of selected cuts should be preferred has a significant impact on the efficiency of solving MILPs as well. To address this challenge, we propose a novel hierarchical sequence model (HEM) to learn cut selection policies via reinforcement learning. Specifically, HEM consists of a two-level model: (1) a higher-level model to learn the number of cuts that should be selected, (2) and a lower-level model -- that formulates the cut selection task as a sequence to sequence learning problem -- to learn policies selecting an ordered subset with the size determined by the higher-level model. To the best of our knowledge, HEM is the first method that can tackle (P1)-(P3) in cut selection simultaneously from a data-driven perspective. Experiments show that HEM significantly improves the efficiency of solving MILPs compared to human-designed and learning-based baselines on both synthetic and large-scale real-world MILPs, including MIPLIB 2017. Moreover, experiments demonstrate that HEM well generalizes to MILPs that are significantly larger than those seen during training.

LGMay 24, 2022
Compressing Deep Graph Neural Networks via Adversarial Knowledge Distillation

Huarui He, Jie Wang, Zhanqiu Zhang et al.

Deep graph neural networks (GNNs) have been shown to be expressive for modeling graph-structured data. Nevertheless, the over-stacked architecture of deep graph models makes it difficult to deploy and rapidly test on mobile or embedded systems. To compress over-stacked GNNs, knowledge distillation via a teacher-student architecture turns out to be an effective technique, where the key step is to measure the discrepancy between teacher and student networks with predefined distance functions. However, using the same distance for graphs of various structures may be unfit, and the optimal distance formulation is hard to determine. To tackle these problems, we propose a novel Adversarial Knowledge Distillation framework for graph models named GraphAKD, which adversarially trains a discriminator and a generator to adaptively detect and decrease the discrepancy. Specifically, noticing that the well-captured inter-node and inter-class correlations favor the success of deep GNNs, we propose to criticize the inherited knowledge from node-level and class-level views with a trainable discriminator. The discriminator distinguishes between teacher knowledge and what the student inherits, while the student GNN works as a generator and aims to fool the discriminator. To our best knowledge, GraphAKD is the first to introduce adversarial training to knowledge distillation in graph domains. Experiments on node-level and graph-level classification benchmarks demonstrate that GraphAKD improves the student performance by a large margin. The results imply that GraphAKD can precisely transfer knowledge from a complicated teacher GNN to a compact student GNN.

CVSep 22, 2024Code
Effectively Enhancing Vision Language Large Models by Prompt Augmentation and Caption Utilization

Minyi Zhao, Jie Wang, Zhaoyang Li et al.

Recent studies have shown that Vision Language Large Models (VLLMs) may output content not relevant to the input images. This problem, called the hallucination phenomenon, undoubtedly degrades VLLM performance. Therefore, various anti-hallucination techniques have been proposed to make model output more reasonable and accurate. Despite their successes, from extensive tests we found that augmenting the prompt (e.g. word appending, rewriting, and spell error etc.) may change model output and make the output hallucinate again. To cure this drawback, we propose a new instruct-tuning framework called Prompt Augmentation and Caption Utilization (PACU) to boost VLLM's generation ability under the augmented prompt scenario. Concretely, on the one hand, PACU exploits existing LLMs to augment and evaluate diverse prompts automatically. The resulting high-quality prompts are utilized to enhance VLLM's ability to process different prompts. On the other hand, PACU exploits image captions to jointly work with image features as well as the prompts for response generation. When the visual feature is inaccurate, LLM can capture useful information from the image captions for response generation. Extensive experiments on hallucination evaluation and prompt-augmented datasets demonstrate that our PACU method can work well with existing schemes to effectively boost VLLM model performance. Code is available in https://github.com/zhaominyiz/PACU.

LGSep 26, 2023
Label Deconvolution for Node Representation Learning on Large-scale Attributed Graphs against Learning Bias

Zhihao Shi, Jie Wang, Fanghua Lu et al.

Node representation learning on attributed graphs -- whose nodes are associated with rich attributes (e.g., texts and protein sequences) -- plays a crucial role in many important downstream tasks. To encode the attributes and graph structures simultaneously, recent studies integrate pre-trained models with graph neural networks (GNNs), where pre-trained models serve as node encoders (NEs) to encode the attributes. As jointly training large NEs and GNNs on large-scale graphs suffers from severe scalability issues, many methods propose to train NEs and GNNs separately. Consequently, they do not take feature convolutions in GNNs into consideration in the training phase of NEs, leading to a significant learning bias relative to the joint training. To address this challenge, we propose an efficient label regularization technique, namely Label Deconvolution (LD), to alleviate the learning bias by a novel and highly scalable approximation to the inverse mapping of GNNs. The inverse mapping leads to an objective function that is equivalent to that by the joint training, while it can effectively incorporate GNNs in the training phase of NEs against the learning bias. More importantly, we show that LD converges to the optimal objective function values by the joint training under mild assumptions. Experiments demonstrate LD significantly outperforms state-of-the-art methods on Open Graph Benchmark datasets.

ASAug 18, 2022
Speech Representation Disentanglement with Adversarial Mutual Information Learning for One-shot Voice Conversion

SiCheng Yang, Methawee Tantrawenith, Haolin Zhuang et al.

One-shot voice conversion (VC) with only a single target speaker's speech for reference has become a hot research topic. Existing works generally disentangle timbre, while information about pitch, rhythm and content is still mixed together. To perform one-shot VC effectively with further disentangling these speech components, we employ random resampling for pitch and content encoder and use the variational contrastive log-ratio upper bound of mutual information and gradient reversal layer based adversarial mutual information learning to ensure the different parts of the latent space containing only the desired disentangled representation during training. Experiments on the VCTK dataset show the model achieves state-of-the-art performance for one-shot VC in terms of naturalness and intellgibility. In addition, we can transfer characteristics of one-shot VC on timbre, pitch and rhythm separately by speech representation disentanglement. Our code, pre-trained models and demo are available at https://im1eon.github.io/IS2022-SRDVC/.

LGMay 20, 2022
Learning Task-relevant Representations for Generalization via Characteristic Functions of Reward Sequence Distributions

Rui Yang, Jie Wang, Zijie Geng et al.

Generalization across different environments with the same tasks is critical for successful applications of visual reinforcement learning (RL) in real scenarios. However, visual distractions -- which are common in real scenes -- from high-dimensional observations can be hurtful to the learned representations in visual RL, thus degrading the performance of generalization. To tackle this problem, we propose a novel approach, namely Characteristic Reward Sequence Prediction (CRESP), to extract the task-relevant information by learning reward sequence distributions (RSDs), as the reward signals are task-relevant in RL and invariant to visual distractions. Specifically, to effectively capture the task-relevant information via RSDs, CRESP introduces an auxiliary task -- that is, predicting the characteristic functions of RSDs -- to learn task-relevant representations, because we can well approximate the high-dimensional distributions by leveraging the corresponding characteristic functions. Experiments demonstrate that CRESP significantly improves the performance of generalization on unseen environments, outperforming several state-of-the-arts on DeepMind Control tasks with different visual distractions.

CLMar 24, 2022
Duality-Induced Regularizer for Semantic Matching Knowledge Graph Embeddings

Jie Wang, Zhanqiu Zhang, Zhihao Shi et al.

Semantic matching models -- which assume that entities with similar semantics have similar embeddings -- have shown great power in knowledge graph embeddings (KGE). Many existing semantic matching models use inner products in embedding spaces to measure the plausibility of triples and quadruples in static and temporal knowledge graphs. However, vectors that have the same inner products with another vector can still be orthogonal to each other, which implies that entities with similar semantics may have dissimilar embeddings. This property of inner products significantly limits the performance of semantic matching models. To address this challenge, we propose a novel regularizer -- namely, DUality-induced RegulArizer (DURA) -- which effectively encourages the entities with similar semantics to have similar embeddings. The major novelty of DURA is based on the observation that, for an existing semantic matching KGE model (primal), there is often another distance based KGE model (dual) closely associated with it, which can be used as effective constraints for entity embeddings. Experiments demonstrate that DURA consistently and significantly improves the performance of state-of-the-art semantic matching models on both static and temporal knowledge graph benchmarks.

CVJan 30, 2023
Tagging before Alignment: Integrating Multi-Modal Tags for Video-Text Retrieval

Yizhen Chen, Jie Wang, Lijian Lin et al.

Vision-language alignment learning for video-text retrieval arouses a lot of attention in recent years. Most of the existing methods either transfer the knowledge of image-text pretraining model to video-text retrieval task without fully exploring the multi-modal information of videos, or simply fuse multi-modal features in a brute force manner without explicit guidance. In this paper, we integrate multi-modal information in an explicit manner by tagging, and use the tags as the anchors for better video-text alignment. Various pretrained experts are utilized for extracting the information of multiple modalities, including object, person, motion, audio, etc. To take full advantage of these information, we propose the TABLE (TAgging Before aLignmEnt) network, which consists of a visual encoder, a tag encoder, a text encoder, and a tag-guiding cross-modal encoder for jointly encoding multi-frame visual features and multi-modal tags information. Furthermore, to strengthen the interaction between video and text, we build a joint cross-modal encoder with the triplet input of [vision, tag, text] and perform two additional supervised tasks, Video Text Matching (VTM) and Masked Language Modeling (MLM). Extensive experimental results demonstrate that the TABLE model is capable of achieving State-Of-The-Art (SOTA) performance on various video-text retrieval benchmarks, including MSR-VTT, MSVD, LSMDC and DiDeMo.

LGFeb 12, 2023Code
Robust Representation Learning by Clustering with Bisimulation Metrics for Visual Reinforcement Learning with Distractions

Qiyuan Liu, Qi Zhou, Rui Yang et al.

Recent work has shown that representation learning plays a critical role in sample-efficient reinforcement learning (RL) from pixels. Unfortunately, in real-world scenarios, representation learning is usually fragile to task-irrelevant distractions such as variations in background or viewpoint. To tackle this problem, we propose a novel clustering-based approach, namely Clustering with Bisimulation Metrics (CBM), which learns robust representations by grouping visual observations in the latent space. Specifically, CBM alternates between two steps: (1) grouping observations by measuring their bisimulation distances to the learned prototypes; (2) learning a set of prototypes according to the current cluster assignments. Computing cluster assignments with bisimulation metrics enables CBM to capture task-relevant information, as bisimulation metrics quantify the behavioral similarity between observations. Moreover, CBM encourages the consistency of representations within each group, which facilitates filtering out task-irrelevant information and thus induces robust representations against distractions. An appealing feature is that CBM can achieve sample-efficient representation learning even if multiple distractions exist simultaneously.Experiments demonstrate that CBM significantly improves the sample efficiency of popular visual RL algorithms and achieves state-of-the-art performance on both multiple and single distraction settings. The code is available at https://github.com/MIRALab-USTC/RL-CBM.

LGOct 24, 2023
State Sequences Prediction via Fourier Transform for Representation Learning

Mingxuan Ye, Yufei Kuang, Jie Wang et al.

While deep reinforcement learning (RL) has been demonstrated effective in solving complex control tasks, sample efficiency remains a key challenge due to the large amounts of data required for remarkable performance. Existing research explores the application of representation learning for data-efficient RL, e.g., learning predictive representations by predicting long-term future states. However, many existing methods do not fully exploit the structural information inherent in sequential state signals, which can potentially improve the quality of long-term decision-making but is difficult to discern in the time domain. To tackle this problem, we propose State Sequences Prediction via Fourier Transform (SPF), a novel method that exploits the frequency domain of state sequences to extract the underlying patterns in time series data for learning expressive representations efficiently. Specifically, we theoretically analyze the existence of structural information in state sequences, which is closely related to policy performance and signal regularity, and then propose to predict the Fourier transform of infinite-step future state sequences to extract such information. One of the appealing features of SPF is that it is simple to implement while not requiring storage of infinite-step future states as prediction targets. Experiments demonstrate that the proposed method outperforms several state-of-the-art algorithms in terms of both sample efficiency and performance.

LGOct 18, 2023Code
Accelerate Presolve in Large-Scale Linear Programming via Reinforcement Learning

Yufei Kuang, Xijun Li, Jie Wang et al.

Large-scale LP problems from industry usually contain much redundancy that severely hurts the efficiency and reliability of solving LPs, making presolve (i.e., the problem simplification module) one of the most critical components in modern LP solvers. However, how to design high-quality presolve routines -- that is, the program determining (P1) which presolvers to select, (P2) in what order to execute, and (P3) when to stop -- remains a highly challenging task due to the extensive requirements on expert knowledge and the large search space. Due to the sequential decision property of the task and the lack of expert demonstrations, we propose a simple and efficient reinforcement learning (RL) framework -- namely, reinforcement learning for presolve (RL4Presolve) -- to tackle (P1)-(P3) simultaneously. Specifically, we formulate the routine design task as a Markov decision process and propose an RL framework with adaptive action sequences to generate high-quality presolve routines efficiently. Note that adaptive action sequences help learn complex behaviors efficiently and adapt to various benchmarks. Experiments on two solvers (open-source and commercial) and eight benchmarks (real-world and synthetic) demonstrate that RL4Presolve significantly and consistently improves the efficiency of solving large-scale LPs, especially on benchmarks from industry. Furthermore, we optimize the hard-coded presolve routines in LP solvers by extracting rules from learned policies for simple and efficient deployment to Huawei's supply chain. The results show encouraging economic and academic potential for incorporating machine learning to modern solvers.

QMAug 10, 2022
Modeling Diverse Chemical Reactions for Single-step Retrosynthesis via Discrete Latent Variables

Huarui He, Jie Wang, Yunfei Liu et al.

Single-step retrosynthesis is the cornerstone of retrosynthesis planning, which is a crucial task for computer-aided drug discovery. The goal of single-step retrosynthesis is to identify the possible reactants that lead to the synthesis of the target product in one reaction. By representing organic molecules as canonical strings, existing sequence-based retrosynthetic methods treat the product-to-reactant retrosynthesis as a sequence-to-sequence translation problem. However, most of them struggle to identify diverse chemical reactions for a desired product due to the deterministic inference, which contradicts the fact that many compounds can be synthesized through various reaction types with different sets of reactants. In this work, we aim to increase reaction diversity and generate various reactants using discrete latent variables. We propose a novel sequence-based approach, namely RetroDVCAE, which incorporates conditional variational autoencoders into single-step retrosynthesis and associates discrete latent variables with the generation process. Specifically, RetroDVCAE uses the Gumbel-Softmax distribution to approximate the categorical distribution over potential reactions and generates multiple sets of reactants with the variational decoder. Experiments demonstrate that RetroDVCAE outperforms state-of-the-art baselines on both benchmark dataset and homemade dataset. Both quantitative and qualitative results show that RetroDVCAE can model the multi-modal distribution over reaction types and produce diverse reactant candidates.

IVDec 13, 2022
Interpretable Diabetic Retinopathy Diagnosis based on Biomarker Activation Map

Pengxiao Zang, Tristan T. Hormel, Jie Wang et al.

Deep learning classifiers provide the most accurate means of automatically diagnosing diabetic retinopathy (DR) based on optical coherence tomography (OCT) and its angiography (OCTA). The power of these models is attributable in part to the inclusion of hidden layers that provide the complexity required to achieve a desired task. However, hidden layers also render algorithm outputs difficult to interpret. Here we introduce a novel biomarker activation map (BAM) framework based on generative adversarial learning that allows clinicians to verify and understand classifiers decision-making. A data set including 456 macular scans were graded as non-referable or referable DR based on current clinical standards. A DR classifier that was used to evaluate our BAM was first trained based on this data set. The BAM generation framework was designed by combing two U-shaped generators to provide meaningful interpretability to this classifier. The main generator was trained to take referable scans as input and produce an output that would be classified by the classifier as non-referable. The BAM is then constructed as the difference image between the output and input of the main generator. To ensure that the BAM only highlights classifier-utilized biomarkers an assistant generator was trained to do the opposite, producing scans that would be classified as referable by the classifier from non-referable scans. The generated BAMs highlighted known pathologic features including nonperfusion area and retinal fluid. A fully interpretable classifier based on these highlights could help clinicians better utilize and verify automated DR diagnosis.

LGFeb 19, 2023
Generalization in Visual Reinforcement Learning with the Reward Sequence Distribution

Jie Wang, Rui Yang, Zijie Geng et al.

Generalization in partially observed markov decision processes (POMDPs) is critical for successful applications of visual reinforcement learning (VRL) in real scenarios. A widely used idea is to learn task-relevant representations that encode task-relevant information of common features in POMDPs, i.e., rewards and transition dynamics. As transition dynamics in the latent state space -- which are task-relevant and invariant to visual distractions -- are unknown to the agents, existing methods alternatively use transition dynamics in the observation space to extract task-relevant information in transition dynamics. However, such transition dynamics in the observation space involve task-irrelevant visual distractions, degrading the generalization performance of VRL methods. To tackle this problem, we propose the reward sequence distribution conditioned on the starting observation and the predefined subsequent action sequence (RSD-OA). The appealing features of RSD-OA include that: (1) RSD-OA is invariant to visual distractions, as it is conditioned on the predefined subsequent action sequence without task-irrelevant information from transition dynamics, and (2) the reward sequence captures long-term task-relevant information in both rewards and transition dynamics. Experiments demonstrate that our representation learning approach based on RSD-OA significantly improves the generalization performance on unseen environments, outperforming several state-of-the-arts on DeepMind Control tasks with visual distractions.

LGAug 9, 2024Code
Learning Rule-Induced Subgraph Representations for Inductive Relation Prediction

Tianyu Liu, Qitan Lv, Jie Wang et al.

Inductive relation prediction (IRP) -- where entities can be different during training and inference -- has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods cannot differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. To tackle this problem, we propose a novel \textit{single-source edge-wise} GNN model to learn the \textbf{R}ule-induc\textbf{E}d \textbf{S}ubgraph represen\textbf{T}ations (\textbf{REST}), which encodes relevant rules and eliminates irrelevant rules within the subgraph. Specifically, we propose a \textit{single-source} initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for \textit{edge-wise} message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the \textit{rule-induced subgraph representation}. Moreover, REST does not need node labeling, which significantly accelerates the subgraph preprocessing time by up to \textbf{11.66$\times$}. Experiments on inductive relation prediction benchmarks demonstrate the effectiveness of our REST. Our code is available at https://github.com/smart-lty/REST.

CVNov 14, 2022
SportsTrack: An Innovative Method for Tracking Athletes in Sports Scenes

Jie Wang, Yuzhou Peng, Xiaodong Yang et al.

The SportsMOT dataset aims to solve multiple object tracking of athletes in different sports scenes such as basketball or soccer. The dataset is challenging because of the unstable camera view, athletes' complex trajectory, and complicated background. Previous MOT methods can not match enough high-quality tracks of athletes. To pursue higher performance of MOT in sports scenes, we introduce an innovative tracker named SportsTrack, we utilize tracking by detection as our detection paradigm. Then we will introduce a three-stage matching process to solve the motion blur and body overlapping in sports scenes. Meanwhile, we present another innovation point: one-to-many correspondence between detection bboxes and crowded tracks to handle the overlap of athletes' bodies during sports competitions. Compared to other trackers such as BOT-SORT and ByteTrack, We carefully restored edge-lost tracks that were ignored by other trackers. Finally, we reached the SOTA result in the SportsMOT dataset.

CLJan 29Code
Why Attention Patterns Exist: A Unifying Temporal Perspective Analysis

Qingyue Yang, Jie Wang, Xing Li et al.

Attention patterns play a crucial role in both training and inference of large language models (LLMs). Prior works have identified individual patterns such as retrieval heads, sink heads, and diagonal traces, yet these observations remain fragmented and lack a unifying explanation. To bridge this gap, we introduce \textbf{Temporal Attention Pattern Predictability Analysis (TAPPA), a unifying framework that explains diverse attention patterns by analyzing their underlying mathematical formulations} from a temporally continuous perspective. TAPPA both deepens the understanding of attention behavior and guides inference acceleration approaches. Specifically, TAPPA characterizes attention patterns as predictable patterns with clear regularities and unpredictable patterns that appear effectively random. Our analysis further reveals that this distinction can be explained by the degree of query self-similarity along the temporal dimension. Focusing on the predictable patterns, we further provide a detailed mathematical analysis of three representative cases through the joint effect of queries, keys, and Rotary Positional Embeddings (RoPE). We validate TAPPA by applying its insights to KV cache compression and LLM pruning tasks. Across these tasks, a simple metric motivated by TAPPA consistently improves performance over baseline methods. The code is available at https://github.com/MIRALab-USTC/LLM-TAPPA.

LGJun 23, 2023
TrustGuard: GNN-based Robust and Explainable Trust Evaluation with Dynamicity Support

Jie Wang, Zheng Yan, Jiahe Lan et al.

Trust evaluation assesses trust relationships between entities and facilitates decision-making. Machine Learning (ML) shows great potential for trust evaluation owing to its learning capabilities. In recent years, Graph Neural Networks (GNNs), as a new ML paradigm, have demonstrated superiority in dealing with graph data. This has motivated researchers to explore their use in trust evaluation, as trust relationships among entities can be modeled as a graph. However, current trust evaluation methods that employ GNNs fail to fully satisfy the dynamic nature of trust, overlook the adverse effects of trust-related attacks, and cannot provide convincing explanations on evaluation results. To address these problems, we propose TrustGuard, a GNN-based accurate trust evaluation model that supports trust dynamicity, is robust against typical attacks, and provides explanations through visualization. Specifically, TrustGuard is designed with a layered architecture that contains a snapshot input layer, a spatial aggregation layer, a temporal aggregation layer, and a prediction layer. Among them, the spatial aggregation layer adopts a defense mechanism to robustly aggregate local trust, and the temporal aggregation layer applies an attention mechanism for effective learning of temporal patterns. Extensive experiments on two real-world datasets show that TrustGuard outperforms state-of-the-art GNN-based trust evaluation models with respect to trust prediction across single-timeslot and multi-timeslot, even in the presence of attacks. In addition, TrustGuard can explain its evaluation results by visualizing both spatial and temporal views.

CLDec 31, 2025
Youtu-LLM: Unlocking the Native Agentic Potential for Lightweight Large Language Models

Junru Lu, Jiarui Qin, Lingfeng Qiao et al.

We introduce Youtu-LLM, a lightweight yet powerful language model that harmonizes high computational efficiency with native agentic intelligence. Unlike typical small models that rely on distillation, Youtu-LLM (1.96B) is pre-trained from scratch to systematically cultivate reasoning and planning capabilities. The key technical advancements are as follows: (1) Compact Architecture with Long-Context Support: Built on a dense Multi-Latent Attention (MLA) architecture with a novel STEM-oriented vocabulary, Youtu-LLM supports a 128k context window. This design enables robust long-context reasoning and state tracking within a minimal memory footprint, making it ideal for long-horizon agent and reasoning tasks. (2) Principled "Commonsense-STEM-Agent" Curriculum: We curated a massive corpus of approximately 11T tokens and implemented a multi-stage training strategy. By progressively shifting the pre-training data distribution from general commonsense to complex STEM and agentic tasks, we ensure the model acquires deep cognitive abilities rather than superficial alignment. (3) Scalable Agentic Mid-training: Specifically for the agentic mid-training, we employ diverse data construction schemes to synthesize rich and varied trajectories across math, coding, and tool-use domains. This high-quality data enables the model to internalize planning and reflection behaviors effectively. Extensive evaluations show that Youtu-LLM sets a new state-of-the-art for sub-2B LLMs. On general benchmarks, it achieves competitive performance against larger models, while on agent-specific tasks, it significantly surpasses existing SOTA baselines, demonstrating that lightweight models can possess strong intrinsic agentic capabilities.

CVAug 8, 2024
SAM 2 in Robotic Surgery: An Empirical Evaluation for Robustness and Generalization in Surgical Video Segmentation

Jieming Yu, An Wang, Wenzhen Dong et al.

The recent Segment Anything Model (SAM) 2 has demonstrated remarkable foundational competence in semantic segmentation, with its memory mechanism and mask decoder further addressing challenges in video tracking and object occlusion, thereby achieving superior results in interactive segmentation for both images and videos. Building upon our previous empirical studies, we further explore the zero-shot segmentation performance of SAM 2 in robot-assisted surgery based on prompts, alongside its robustness against real-world corruption. For static images, we employ two forms of prompts: 1-point and bounding box, while for video sequences, the 1-point prompt is applied to the initial frame. Through extensive experimentation on the MICCAI EndoVis 2017 and EndoVis 2018 benchmarks, SAM 2, when utilizing bounding box prompts, outperforms state-of-the-art (SOTA) methods in comparative evaluations. The results with point prompts also exhibit a substantial enhancement over SAM's capabilities, nearing or even surpassing existing unprompted SOTA methodologies. Besides, SAM 2 demonstrates improved inference speed and less performance degradation against various image corruption. Although slightly unsatisfactory results remain in specific edges or regions, SAM 2's robust adaptability to 1-point prompts underscores its potential for downstream surgical tasks with limited prompt requirements.

CVApr 20
OneVL: One-Step Latent Reasoning and Planning with Vision-Language Explanation

Jinghui Lu, Jiayi Guan, Zhijian Huang et al.

Chain-of-Thought (CoT) reasoning has become a powerful driver of trajectory prediction in VLA-based autonomous driving, yet its autoregressive nature imposes a latency cost that is prohibitive for real-time deployment. Latent CoT methods attempt to close this gap by compressing reasoning into continuous hidden states, but consistently fall short of their explicit counterparts. We suggest that this is due to purely linguistic latent representations compressing a symbolic abstraction of the world, rather than the causal dynamics that actually govern driving. Thus, we present OneVL (One-step latent reasoning and planning with Vision-Language explanations), a unified VLA and World Model framework that routes reasoning through compact latent tokens supervised by dual auxiliary decoders. Alongside a language decoder that reconstructs text CoT, we introduce a visual world model decoder that predicts future-frame tokens, forcing the latent space to internalize the causal dynamics of road geometry, agent motion, and environmental change. A three-stage training pipeline progressively aligns these latents with trajectory, language, and visual objectives, ensuring stable joint optimization. At inference, the auxiliary decoders are discarded and all latent tokens are prefilled in a single parallel pass, matching the speed of answer-only prediction. Across four benchmarks, OneVL becomes the first latent CoT method to surpass explicit CoT, delivering state-of-the-art accuracy at answer-only latency, and providing direct evidence that tighter compression, when guided in both language and world-model supervision, produces more generalizable representations than verbose token-by-token reasoning. Project Page: https://xiaomi-embodied-intelligence.github.io/OneVL

CLJun 16, 2022
Exploiting Global Semantic Similarities in Knowledge Graphs by Relational Prototype Entities

Xueliang Wang, Jiajun Chen, Feng Wu et al.

Knowledge graph (KG) embedding aims at learning the latent representations for entities and relations of a KG in continuous vector spaces. An empirical observation is that the head (tail) entities connected by the same relation often share similar semantic attributes -- specifically, they often belong to the same category -- no matter how far away they are from each other in the KG; that is, they share global semantic similarities. However, many existing methods derive KG embeddings based on the local information, which fail to effectively capture such global semantic similarities among entities. To address this challenge, we propose a novel approach, which introduces a set of virtual nodes called \textit{\textbf{relational prototype entities}} to represent the prototypes of the head and tail entities connected by the same relations. By enforcing the entities' embeddings close to their associated prototypes' embeddings, our approach can effectively encourage the global semantic similarities of entities -- that can be far away in the KG -- connected by the same relation. Experiments on the entity alignment and KG completion tasks demonstrate that our approach significantly outperforms recent state-of-the-arts.

LGJul 3, 2024
Foundations and Frontiers of Graph Learning Theory

Yu Huang, Min Zhou, Menglin Yang et al.

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations, have become a popular paradigm. With these models being usually characterized by intuition-driven design or highly intricate components, placing them within the theoretical analysis framework to distill the core concepts, helps understand the key principles that drive the functionality better and guide further development. Given this surge in interest, this article provides a comprehensive summary of the theoretical foundations and breakthroughs concerning the approximation and learning behaviors intrinsic to prevalent graph learning models. Encompassing discussions on fundamental aspects such as expressiveness power, generalization, optimization, and unique phenomena such as over-smoothing and over-squashing, this piece delves into the theoretical foundations and frontier driving the evolution of graph learning. In addition, this article also presents several challenges and further initiates discussions on possible solutions.

LGSep 25, 2023
Can Class-Priors Help Single-Positive Multi-Label Learning?

Biao Liu, Ning Xu, Jie Wang et al.

Single-positive multi-label learning (SPMLL) is a typical weakly supervised multi-label learning problem, where each training example is annotated with only one positive label. Existing SPMLL methods typically assign pseudo-labels to unannotated labels with the assumption that prior probabilities of all classes are identical. However, the class-prior of each category may differ significantly in real-world scenarios, which makes the predictive model not perform as well as expected due to the unrealistic assumption on real-world application. To alleviate this issue, a novel framework named {\proposed}, i.e., Class-pRiors Induced Single-Positive multi-label learning, is proposed. Specifically, a class-priors estimator is introduced, which could estimate the class-priors that are theoretically guaranteed to converge to the ground-truth class-priors. In addition, based on the estimated class-priors, an unbiased risk estimator for classification is derived, and the corresponding risk minimizer could be guaranteed to approximately converge to the optimal risk minimizer on fully supervised data. Experimental results on ten MLL benchmark datasets demonstrate the effectiveness and superiority of our method over existing SPMLL approaches.

CVJul 31, 2023
HiREN: Towards Higher Supervision Quality for Better Scene Text Image Super-Resolution

Minyi Zhao, Yi Xu, Bingjia Li et al.

Scene text image super-resolution (STISR) is an important pre-processing technique for text recognition from low-resolution scene images. Nowadays, various methods have been proposed to extract text-specific information from high-resolution (HR) images to supervise STISR model training. However, due to uncontrollable factors (e.g. shooting equipment, focus, and environment) in manually photographing HR images, the quality of HR images cannot be guaranteed, which unavoidably impacts STISR performance. Observing the quality issue of HR images, in this paper we propose a novel idea to boost STISR by first enhancing the quality of HR images and then using the enhanced HR images as supervision to do STISR. Concretely, we develop a new STISR framework, called High-Resolution ENhancement (HiREN) that consists of two branches and a quality estimation module. The first branch is developed to recover the low-resolution (LR) images, and the other is an HR quality enhancement branch aiming at generating high-quality (HQ) text images based on the HR images to provide more accurate supervision to the LR images. As the degradation from HQ to HR may be diverse, and there is no pixel-level supervision for HQ image generation, we design a kernel-guided enhancement network to handle various degradation, and exploit the feedback from a recognizer and text-level annotations as weak supervision signal to train the HR enhancement branch. Then, a quality estimation module is employed to evaluate the qualities of HQ images, which are used to suppress the erroneous supervision information by weighting the loss of each image. Extensive experiments on TextZoom show that HiREN can work well with most existing STISR methods and significantly boost their performances.

CVDec 8, 2025Code
OpenVE-3M: A Large-Scale High-Quality Dataset for Instruction-Guided Video Editing

Haoyang He, Jie Wang, Jiangning Zhang et al.

The quality and diversity of instruction-based image editing datasets are continuously increasing, yet large-scale, high-quality datasets for instruction-based video editing remain scarce. To address this gap, we introduce OpenVE-3M, an open-source, large-scale, and high-quality dataset for instruction-based video editing. It comprises two primary categories: spatially-aligned edits (Global Style, Background Change, Local Change, Local Remove, Local Add, and Subtitles Edit) and non-spatially-aligned edits (Camera Multi-Shot Edit and Creative Edit). All edit types are generated via a meticulously designed data pipeline with rigorous quality filtering. OpenVE-3M surpasses existing open-source datasets in terms of scale, diversity of edit types, instruction length, and overall quality. Furthermore, to address the lack of a unified benchmark in the field, we construct OpenVE-Bench, containing 431 video-edit pairs that cover a diverse range of editing tasks with three key metrics highly aligned with human judgment. We present OpenVE-Edit, a 5B model trained on our dataset that demonstrates remarkable efficiency and effectiveness by setting a new state-of-the-art on OpenVE-Bench, outperforming all prior open-source models including a 14B baseline. Project page is at https://github.com/lewandofskee/OpenVE.

LGDec 14, 2022
Efficient Exploration in Resource-Restricted Reinforcement Learning

Zhihai Wang, Taoxing Pan, Qi Zhou et al.

In many real-world applications of reinforcement learning (RL), performing actions requires consuming certain types of resources that are non-replenishable in each episode. Typical applications include robotic control with limited energy and video games with consumable items. In tasks with non-replenishable resources, we observe that popular RL methods such as soft actor critic suffer from poor sample efficiency. The major reason is that, they tend to exhaust resources fast and thus the subsequent exploration is severely restricted due to the absence of resources. To address this challenge, we first formalize the aforementioned problem as a resource-restricted reinforcement learning, and then propose a novel resource-aware exploration bonus (RAEB) to make reasonable usage of resources. An appealing feature of RAEB is that, it can significantly reduce unnecessary resource-consuming trials while effectively encouraging the agent to explore unvisited states. Experiments demonstrate that the proposed RAEB significantly outperforms state-of-the-art exploration strategies in resource-restricted reinforcement learning environments, improving the sample efficiency by up to an order of magnitude.

CLJun 2, 2023
Can LLMs like GPT-4 outperform traditional AI tools in dementia diagnosis? Maybe, but not today

Zhuo Wang, Rongzhen Li, Bowen Dong et al.

Recent investigations show that large language models (LLMs), specifically GPT-4, not only have remarkable capabilities in common Natural Language Processing (NLP) tasks but also exhibit human-level performance on various professional and academic benchmarks. However, whether GPT-4 can be directly used in practical applications and replace traditional artificial intelligence (AI) tools in specialized domains requires further experimental validation. In this paper, we explore the potential of LLMs such as GPT-4 to outperform traditional AI tools in dementia diagnosis. Comprehensive comparisons between GPT-4 and traditional AI tools are conducted to examine their diagnostic accuracy in a clinical setting. Experimental results on two real clinical datasets show that, although LLMs like GPT-4 demonstrate potential for future advancements in dementia diagnosis, they currently do not surpass the performance of traditional AI tools. The interpretability and faithfulness of GPT-4 are also evaluated by comparison with real doctors. We discuss the limitations of GPT-4 in its current state and propose future research directions to enhance GPT-4 in dementia diagnosis.

MLMay 4, 2022
A Manifold Two-Sample Test Study: Integral Probability Metric with Neural Networks

Jie Wang, Minshuo Chen, Tuo Zhao et al.

Two-sample tests are important areas aiming to determine whether two collections of observations follow the same distribution or not. We propose two-sample tests based on integral probability metric (IPM) for high-dimensional samples supported on a low-dimensional manifold. We characterize the properties of proposed tests with respect to the number of samples $n$ and the structure of the manifold with intrinsic dimension $d$. When an atlas is given, we propose two-step test to identify the difference between general distributions, which achieves the type-II risk in the order of $n^{-1/\max\{d,2\}}$. When an atlas is not given, we propose Hölder IPM test that applies for data distributions with $(s,β)$-Hölder densities, which achieves the type-II risk in the order of $n^{-(s+β)/d}$. To mitigate the heavy computation burden of evaluating the Hölder IPM, we approximate the Hölder function class using neural networks. Based on the approximation theory of neural networks, we show that the neural network IPM test has the type-II risk in the order of $n^{-(s+β)/d}$, which is in the same order of the type-II risk as the Hölder IPM test. Our proposed tests are adaptive to low-dimensional geometric structure because their performance crucially depends on the intrinsic dimension instead of the data dimension.

GTApr 13
The Price of Ignorance: Information-Free Quotation for Data Retention in Machine Unlearning

Bin Han, Di Feng, Zexin Fang et al.

When users exercise data deletion rights under the General Data Protection Regulation (GDPR) and similar regulations, mobile network operators face a tradeoff: excessive machine unlearning degrades model accuracy and incurs retraining costs, yet existing pricing mechanisms for data retention require the server to know every user's private privacy and accuracy preferences, which is infeasible under the very regulations that motivate unlearning. We ask: what is the welfare cost of operating without this private information? We design an information-free ascending quotation mechanism where the server broadcasts progressively higher prices and users self-select their data supply, requiring no knowledge of users' parameters. Under complete information, the protocol admits a unique subgame-perfect Nash equilibrium characterized by single-period selling. We formalize the Price of Ignorance -- the welfare gap between optimal personalized pricing (which knows everything) and our information-free quotation (which knows nothing) -- and prove a three-regime efficiency ordering. Numerical evaluation across seven mechanisms and 5000 Monte Carlo runs shows that this price is near zero: the information-free mechanism achieves >=99% of the welfare of its information-intensive benchmarks, while providing noise-robust guarantees and comparable fairness.

AIMay 26
The MiniMax-M2 Series: Mini Activations Unleashing Max Real-World Intelligence

MiniMax, Aili Chen, Aonian Li et al.

We introduce the MiniMax-M2 series, a family of Mixture-of-Experts language models built around the principle that mini activations can unleash maximum real-world intelligence. The flagship M2 contains 229.9B total parameters with only 9.8B activated per token. Designed end-to-end for agentic deployment, the M2 series rests on three components: (i) agent-driven data pipelines producing large-scale, verifiable trajectories across agentic coding and agentic cowork, each grounded in an executable workspace and an artifact-aligned reward; (ii) Forge, a scalable agent-native RL system that adapts to long-horizon agent trajectories, paired with windowed-FIFO scheduling, prefix-tree merging, inference optimization, and a clean training-inference-agent decoupling that supports both white-box and black-box agents; (iii) the latest M2.7 checkpoint takes an early step toward self-evolution -- autonomously debugging training runs and modifying its own scaffold. Across M2 through M2.7, this combination translates a mini-activation footprint into frontier-tier performance on agentic coding, deep search, office-task, and reasoning benchmarks.

LGMar 17, 2023
Provably Convergent Subgraph-wise Sampling for Fast GNN Training

Jie Wang, Zhihao Shi, Xize Liang et al.

Subgraph-wise sampling -- a promising class of mini-batch training techniques for graph neural networks (GNNs -- is critical for real-world applications. During the message passing (MP) in GNNs, subgraph-wise sampling methods discard messages outside the mini-batches in backward passes to avoid the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of MP iterations. However, discarding messages may sacrifice the gradient estimation accuracy, posing significant challenges to their convergence analysis and convergence speeds. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message Compensation (LMC). To the best of our knowledge, LMC is the first subgraph-wise sampling method with provable convergence. The key idea is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. Moreover, LMC is applicable to various MP-based GNN architectures, including convolutional GNNs (finite message passing iterations with different layers) and recurrent GNNs (infinite message passing iterations with a shared layer). Experiments on large-scale benchmarks demonstrate that LMC is significantly faster than state-of-the-art subgraph-wise sampling methods.

CVJun 16, 2022
Self-Adaptive Label Augmentation for Semi-supervised Few-shot Classification

Xueliang Wang, Jianyu Cai, Shuiwang Ji et al.

Few-shot classification aims to learn a model that can generalize well to new tasks when only a few labeled samples are available. To make use of unlabeled data that are more abundantly available in real applications, Ren et al. \shortcite{ren2018meta} propose a semi-supervised few-shot classification method that assigns an appropriate label to each unlabeled sample by a manually defined metric. However, the manually defined metric fails to capture the intrinsic property in data. In this paper, we propose a \textbf{S}elf-\textbf{A}daptive \textbf{L}abel \textbf{A}ugmentation approach, called \textbf{SALA}, for semi-supervised few-shot classification. A major novelty of SALA is the task-adaptive metric, which can learn the metric adaptively for different tasks in an end-to-end fashion. Another appealing feature of SALA is a progressive neighbor selection strategy, which selects unlabeled data with high confidence progressively through the training phase. Experiments demonstrate that SALA outperforms several state-of-the-art methods for semi-supervised few-shot classification on benchmark datasets.

CVSep 19, 2023
Sample-adaptive Augmentation for Point Cloud Recognition Against Real-world Corruptions

Jie Wang, Lihe Ding, Tingfa Xu et al.

Robust 3D perception under corruption has become an essential task for the realm of 3D vision. While current data augmentation techniques usually perform random transformations on all point cloud objects in an offline way and ignore the structure of the samples, resulting in over-or-under enhancement. In this work, we propose an alternative to make sample-adaptive transformations based on the structure of the sample to cope with potential corruption via an auto-augmentation framework, named as AdaptPoint. Specially, we leverage a imitator, consisting of a Deformation Controller and a Mask Controller, respectively in charge of predicting deformation parameters and producing a per-point mask, based on the intrinsic structural information of the input point cloud, and then conduct corruption simulations on top. Then a discriminator is utilized to prevent the generation of excessive corruption that deviates from the original data distribution. In addition, a perception-guidance feedback mechanism is incorporated to guide the generation of samples with appropriate difficulty level. Furthermore, to address the paucity of real-world corrupted point cloud, we also introduce a new dataset ScanObjectNN-C, that exhibits greater similarity to actual data in real-world environments, especially when contrasted with preceding CAD datasets. Experiments show that our method achieves state-of-the-art results on multiple corruption benchmarks, including ModelNet-C, our ScanObjectNN-C, and ShapeNet-C.

NAJan 30, 2023
Deep learning numerical methods for high-dimensional fully nonlinear PIDEs and coupled FBSDEs with jumps

Wansheng Wang, Jie Wang, Jinping Li et al.

We propose a deep learning algorithm for solving high-dimensional parabolic integro-differential equations (PIDEs) and high-dimensional forward-backward stochastic differential equations with jumps (FBSDEJs), where the jump-diffusion process are derived by a Brownian motion and an independent compensated Poisson random measure. In this novel algorithm, a pair of deep neural networks for the approximations of the gradient and the integral kernel is introduced in a crucial way based on deep FBSDE method. To derive the error estimates for this deep learning algorithm, the convergence of Markovian iteration, the error bound of Euler time discretization, and the simulation error of deep learning algorithm are investigated. Two numerical examples are provided to show the efficiency of this proposed algorithm.

LGOct 4, 2023
A Deep Instance Generative Framework for MILP Solvers Under Limited Data Availability

Zijie Geng, Xijun Li, Jie Wang et al.

In the past few years, there has been an explosive surge in the use of machine learning (ML) techniques to address combinatorial optimization (CO) problems, especially mixed-integer linear programs (MILPs). Despite the achievements, the limited availability of real-world instances often leads to sub-optimal decisions and biased solver assessments, which motivates a suite of synthetic MILP instance generation techniques. However, existing methods either rely heavily on expert-designed formulations or struggle to capture the rich features of real-world instances. To tackle this problem, we propose G2MILP, the first deep generative framework for MILP instances. Specifically, G2MILP represents MILP instances as bipartite graphs, and applies a masked variational autoencoder to iteratively corrupt and replace parts of the original graphs to generate new ones. The appealing feature of G2MILP is that it can learn to generate novel and realistic MILP instances without prior expert-designed formulations, while preserving the structures and computational hardness of real-world datasets, simultaneously. Thus the generated instances can facilitate downstream tasks for enhancing MILP solvers under limited data availability. We design a suite of benchmarks to evaluate the quality of the generated MILP instances. Experiments demonstrate that our method can produce instances that closely resemble real-world datasets in terms of both structures and computational hardness. The deliverables are released at https://miralab-ustc.github.io/L2O-G2MILP.

ASNov 2, 2022
LMD: A Learnable Mask Network to Detect Adversarial Examples for Speaker Verification

Xing Chen, Jie Wang, Xiao-Lei Zhang et al.

Although the security of automatic speaker verification (ASV) is seriously threatened by recently emerged adversarial attacks, there have been some countermeasures to alleviate the threat. However, many defense approaches not only require the prior knowledge of the attackers but also possess weak interpretability. To address this issue, in this paper, we propose an attacker-independent and interpretable method, named learnable mask detector (LMD), to separate adversarial examples from the genuine ones. It utilizes score variation as an indicator to detect adversarial examples, where the score variation is the absolute discrepancy between the ASV scores of an original audio recording and its transformed audio synthesized from its masked complex spectrogram. A core component of the score variation detector is to generate the masked spectrogram by a neural network. The neural network needs only genuine examples for training, which makes it an attacker-independent approach. Its interpretability lies that the neural network is trained to minimize the score variation of the targeted ASV, and maximize the number of the masked spectrogram bins of the genuine training examples. Its foundation is based on the observation that, masking out the vast majority of the spectrogram bins with little speaker information will inevitably introduce a large score variation to the adversarial example, and a small score variation to the genuine example. Experimental results with 12 attackers and two representative ASV systems show that our proposed method outperforms five state-of-the-art baselines. The extensive experimental results can also be a benchmark for the detection-based ASV defenses.

LGMar 8, 2023
RAF: Holistic Compilation for Deep Learning Model Training

Cody Hao Yu, Haozheng Fan, Guangtai Huang et al.

As deep learning is pervasive in modern applications, many deep learning frameworks are presented for deep learning practitioners to develop and train DNN models rapidly. Meanwhile, as training large deep learning models becomes a trend in recent years, the training throughput and memory footprint are getting crucial. Accordingly, optimizing training workloads with compiler optimizations is inevitable and getting more and more attentions. However, existing deep learning compilers (DLCs) mainly target inference and do not incorporate holistic optimizations, such as automatic differentiation and automatic mixed precision, in training workloads. In this paper, we present RAF, a deep learning compiler for training. Unlike existing DLCs, RAF accepts a forward model and in-house generates a training graph. Accordingly, RAF is able to systematically consolidate graph optimizations for performance, memory and distributed training. In addition, to catch up to the state-of-the-art performance with hand-crafted kernel libraries as well as tensor compilers, RAF proposes an operator dialect mechanism to seamlessly integrate all possible kernel implementations. We demonstrate that by in-house training graph generation and operator dialect mechanism, we are able to perform holistic optimizations and achieve either better training throughput or larger batch size against PyTorch (eager and torchscript mode), XLA, and DeepSpeed for popular transformer models on GPUs.

LGFeb 2, 2023
LMC: Fast Training of GNNs via Subgraph Sampling with Provable Convergence

Zhihao Shi, Xize Liang, Jie Wang

The message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. However, training GNNs on large-scale graphs suffers from the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of message passing layers. Subgraph-wise sampling methods -- a promising class of mini-batch training techniques -- discard messages outside the mini-batches in backward passes to avoid the neighbor explosion problem at the expense of gradient estimation accuracy. This poses significant challenges to their convergence analysis and convergence speeds, which seriously limits their reliable real-world applications. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message Compensation (LMC). To the best of our knowledge, LMC is the {\it first} subgraph-wise sampling method with provable convergence. The key idea of LMC is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. We further show that LMC converges to first-order stationary points of GNNs. Experiments on large-scale benchmark tasks demonstrate that LMC significantly outperforms state-of-the-art subgraph-wise sampling methods in terms of efficiency.

AIMar 26Code
UniAI-GraphRAG: Synergizing Ontology-Guided Extraction, Multi-Dimensional Clustering, and Dual-Channel Fusion for Robust Multi-Hop Reasoning

Jie Wang, Honghua Huang, Xi Ge et al.

Retrieval-Augmented Generation (RAG) systems face significant challenges in complex reasoning, multi-hop queries, and domain-specific QA. While existing GraphRAG frameworks have made progress in structural knowledge organization, they still have limitations in cross-industry adaptability, community report integrity, and retrieval performance. This paper proposes UniAI-GraphRAG, an enhanced framework built upon open-source GraphRAG. The framework introduces three core innovations: (1) Ontology-Guided Knowledge Extraction that uses predefined Schema to guide LLMs in accurately identifying domain-specific entities and relations; (2) Multi-Dimensional Community Clustering Strategy that improves community completeness through alignment completion, attribute-based clustering, and multi-hop relationship clustering; (3) Dual-Channel Graph Retrieval Fusion that balances QA accuracy and performance through hybrid graph and community retrieval. Evaluation results on MultiHopRAG benchmark show that UniAI-GraphRAG outperforms mainstream open source solutions (e.g.LightRAG) in comprehensive F1 scores, particularly in inference and temporal queries. The code is available at https://github.com/UnicomAI/wanwu/tree/main/rag/rag_open_source/rag_core/graph.

ARAug 22, 2023
A Circuit Domain Generalization Framework for Efficient Logic Synthesis in Chip Design

Zhihai Wang, Lei Chen, Jie Wang et al.

Logic Synthesis (LS) plays a vital role in chip design -- a cornerstone of the semiconductor industry. A key task in LS is to transform circuits -- modeled by directed acyclic graphs (DAGs) -- into simplified circuits with equivalent functionalities. To tackle this task, many LS operators apply transformations to subgraphs -- rooted at each node on an input DAG -- sequentially. However, we found that a large number of transformations are ineffective, which makes applying these operators highly time-consuming. In particular, we notice that the runtime of the Resub and Mfs2 operators often dominates the overall runtime of LS optimization processes. To address this challenge, we propose a novel data-driven LS operator paradigm, namely PruneX, to reduce ineffective transformations. The major challenge of developing PruneX is to learn models that well generalize to unseen circuits, i.e., the out-of-distribution (OOD) generalization problem. Thus, the major technical contribution of PruneX is the novel circuit domain generalization framework, which learns domain-invariant representations based on the transformation-invariant domain-knowledge. To the best of our knowledge, PruneX is the first approach to tackle the OOD problem in LS operators. We integrate PruneX with the aforementioned Resub and Mfs2 operators. Experiments demonstrate that PruneX significantly improves their efficiency while keeping comparable optimization performance on industrial and very large-scale circuits, achieving up to $3.1\times$ faster runtime.