Hao Yuan

Yuanrui Wang, Xingxuan Zhang, Han Yu et al.

Tabular foundation models (TFMs) increasingly rival tree ensembles, but their performance is often compute-inefficient: with standard affine scalar tokenization, each feature injects value variation through an essentially one-dimensional channel, and feature IDs/positional signals cannot increase within-feature value degrees of freedom, yielding weak early-layer value sensitivity and redundant hidden states. We present a unified \emph{tokenize-and-route} framework for strong TFMs: \textbf{RaBEL} expands each scalar into compact localized RBF features (optionally exponent-gated) to improve conditioning and shallow-layer effective rank, while a reordered bidirectional block \textbf{S$\rightarrow$N$\rightarrow$F} aligns computation with the readout by aggregating cross-sample context before feature mixing and using attention pooling. Together, these changes yield \textbf{LimiX-2M}, a 2M-parameter model that outperforms larger TabPFN-v2 and TabICL baselines on widely used tabular benchmarks while reducing training and inference costs. These results highlight value-aware tokenization and readout-aligned routing as key levers for improving the accuracy--efficiency trade-off in TFMs. Model checkpoints and inference code are available at https://github.com/limix-ldm-ai/LimiX.

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.

Aditi, Niket Agarwal, Arslan Ali et al.

We introduce Cosmos 3, a family of omnimodal world models designed to jointly process and generate language, image, video, audio, and action sequences within a unified mixture-of-transformers architecture. By supporting highly flexible input-output configurations, Cosmos 3 seamlessly unifies critical modalities for Physical AI -- effectively subsuming vision-language models, video generators, world simulators, and world-action models into a single framework. Our evaluation demonstrates that Cosmos 3 establishes a new state-of-the-art across a diverse suite of understanding and generation tasks, demonstrating omnimodal world models as scalable, general-purpose backbones for embodied agents. Our post-trained Cosmos 3 models were ranked as the best open-source Text-to-Image and Image-to-Video models by Artificial Analysis, and the best policy model by RoboArena at the time the technical report was written. To accelerate open research and deployment in Physical AI, we make our code, model checkpoints, curated synthetic datasets, and evaluation benchmark available under the Linux Foundation's OpenMDW-1.1 https://openmdw.ai/license/1-1/ License at https://github.com/nvidia/cosmos}{github.com/nvidia/cosmos and https://huggingface.co/collections/nvidia/cosmos3 . The project website is available at https://research.nvidia.com/labs/cosmos-lab/cosmos3 .

Zhenbo Fu, Yuanzhe Zhang, Qiange Wang et al.

Knowledge Graph-based Retrieval-Augmented Generation (KG-RAG) has emerged as a promising paradigm for enhancing LLM reasoning by retrieving multi-hop paths from KGs. However, existing KG-RAG frameworks often underperform in real-world scenarios because the pre-captured knowledge dependencies are not tailored to the downstream task or its evolving requirements. These frameworks struggle to adapt to task-specific requirements and lack mechanisms to filter low-contribution knowledge during generation. We observe that feedback on generated responses offers effective supervision for improving KG quality, as it directly reflects user expectations and provides insights into the correctness and usefulness of the output. However, a key challenge lies in effectively linking response-level feedback to triplet-level contribution evaluation and knowledge updates in the KG. In this work, we propose EvoRAG, a self-evolving KG-RAG framework that leverages the feedback over generated responses to continuously refine the KG and enhance reasoning accuracy. EvoRAG introduces a feedback-driven backpropagation mechanism that attributes feedback to retrieved paths by measuring their utility for response and propagates this utility back to individual triplets, supporting fine-grained KG refinements towards more adaptive and accurate reasoning. Through EvoRAG, we establish a closed loop that couples feedback, LLM, and graph data, continuously enhancing the performance and robustness in real-world scenarios. Experimental results show that EvoRAG improves reasoning accuracy by $7.34\%$ over state-of-the-art KG-RAG frameworks. The source code has been made available at https://github.com/iDC-NEU/EvoRAG.

Li Cai, Xin Mao, Meirong Ma et al.

Entity alignment (EA) aims to find entities in different knowledge graphs (KGs) that refer to the same object in the real world. Recent studies incorporate temporal information to augment the representations of KGs. The existing methods for EA between temporal KGs (TKGs) utilize a time-aware attention mechanism to incorporate relational and temporal information into entity embeddings. The approaches outperform the previous methods by using temporal information. However, we believe that it is not necessary to learn the embeddings of temporal information in KGs since most TKGs have uniform temporal representations. Therefore, we propose a simple graph neural network (GNN) model combined with a temporal information matching mechanism, which achieves better performance with less time and fewer parameters. Furthermore, since alignment seeds are difficult to label in real-world applications, we also propose a method to generate unsupervised alignment seeds via the temporal information of TKG. Extensive experiments on public datasets indicate that our supervised method significantly outperforms the previous methods and the unsupervised one has competitive performance.

Hao Yuan, Yajiong Liu, Yanfeng Zhang et al.

Many Graph Neural Network (GNN) training systems have emerged recently to support efficient GNN training. Since GNNs embody complex data dependencies between training samples, the training of GNNs should address distinct challenges different from DNN training in data management, such as data partitioning, batch preparation for mini-batch training, and data transferring between CPUs and GPUs. These factors, which take up a large proportion of training time, make data management in GNN training more significant. This paper reviews GNN training from a data management perspective and provides a comprehensive analysis and evaluation of the representative approaches. We conduct extensive experiments on various benchmark datasets and show many interesting and valuable results. We also provide some practical tips learned from these experiments, which are helpful for designing GNN training systems in the future.

Xin Ai, Qiange Wang, Chunyu Cao et al.

Graph Neural Networks (GNNs) have demonstrated outstanding performance in various applications. Existing frameworks utilize CPU-GPU heterogeneous environments to train GNN models and integrate mini-batch and sampling techniques to overcome the GPU memory limitation. In CPU-GPU heterogeneous environments, we can divide sample-based GNN training into three steps: sample, gather, and train. Existing GNN systems use different task orchestrating methods to employ each step on CPU or GPU. After extensive experiments and analysis, we find that existing task orchestrating methods fail to fully utilize the heterogeneous resources, limited by inefficient CPU processing or GPU resource contention. In this paper, we propose NeutronOrch, a system for sample-based GNN training that incorporates a layer-based task orchestrating method and ensures balanced utilization of the CPU and GPU. NeutronOrch decouples the training process by layer and pushes down the training task of the bottom layer to the CPU. This significantly reduces the computational load and memory footprint of GPU training. To avoid inefficient CPU processing, NeutronOrch only offloads the training of frequently accessed vertices to the CPU and lets GPU reuse their embeddings with bounded staleness. Furthermore, NeutronOrch provides a fine-grained pipeline design for the layer-based task orchestrating method, fully overlapping different tasks on heterogeneous resources while strictly guaranteeing bounded staleness. The experimental results show that compared with the state-of-the-art GNN systems, NeutronOrch can achieve up to 11.51x performance speedup.

Haojie Pan, Zepeng Zhai, Hao Yuan et al.

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast amounts of information in their brains, humans excel in critical thinking, planning, reflection, and harnessing available tools to interact with and interpret the world, enabling them to find answers efficiently. The recent advancements in large language models (LLMs) suggest that machines might also possess the aforementioned human-like capabilities, allowing them to exhibit powerful abilities even with a constrained parameter count. In this paper, we introduce KwaiAgents, a generalized information-seeking agent system based on LLMs. Within KwaiAgents, we propose an agent system that employs LLMs as its cognitive core, which is capable of understanding a user's query, behavior guidelines, and referencing external documents. The agent can also update and retrieve information from its internal memory, plan and execute actions using a time-aware search-browse toolkit, and ultimately provide a comprehensive response. We further investigate the system's performance when powered by LLMs less advanced than GPT-4, and introduce the Meta-Agent Tuning (MAT) framework, designed to ensure even an open-sourced 7B or 13B model performs well among many agent systems. We exploit both benchmark and human evaluations to systematically validate these capabilities. Extensive experiments show the superiority of our agent system compared to other autonomous agents and highlight the enhanced generalized agent-abilities of our fine-tuned LLMs.

Shlok Mishra, Tsung-Yu Lin, Linda Wang et al.

We present Xray-Visual, a unified vision model architecture for large-scale image and video understanding trained on industry-scale social media data. Our model leverages over 15 billion curated image-text pairs and 10 billion video-hashtag pairs from Facebook and Instagram, employing robust data curation pipelines that incorporate balancing and noise suppression strategies to maximize semantic diversity while minimizing label noise. We introduce a three-stage training pipeline that combines self-supervised MAE, semi-supervised hashtag classification, and CLIP-style contrastive learning to jointly optimize image and video modalities. Our architecture builds on a Vision Transformer backbone enhanced with efficient token reorganization (EViT) for improved computational efficiency. Extensive experiments demonstrate that Xray-Visual achieves state-of-the-art performance across diverse benchmarks, including ImageNet for image classification, Kinetics and HMDB51 for video understanding, and MSCOCO for cross-modal retrieval. The model exhibits strong robustness to domain shift and adversarial perturbations. We further demonstrate that integrating large language models as text encoders (LLM2CLIP) significantly enhances retrieval performance and generalization capabilities, particularly in real-world environments. Xray-Visual establishes new benchmarks for scalable, multimodal vision models, while maintaining superior accuracy and computational efficiency.

ZhiChao Yan, Hui Xue, Yi Zhu et al.

Accurate segmentation of lesions in pancreatic endoscopic ultrasound (EUS) images is crucial for effective diagnosis and treatment. However, the collection of enough crisp EUS images for effective diagnosis is arduous. Recently, domain adaptation (DA) has been employed to address these challenges by leveraging related knowledge from other domains. Most DA methods only focus on multi-view representations of the same organ, which makes it still tough to clearly depict the tumor lesion area with limited semantic information. Although transferring homogeneous similarity from different organs could benefit the issue, there is a lack of relevant work due to the enormous domain gap between them. To address these challenges, we propose the Cross-Organ Tumor Segmentation Networks (COTS-Nets), consisting of a universal network and an auxiliary network. The universal network utilizes boundary loss to learn common boundary information of different tumors, enabling accurate delineation of tumors in EUS despite limited and low-quality data. Simultaneously, we incorporate consistency loss in the universal network to align the prediction of pancreatic EUS with tumor boundaries from other organs to mitigate the domain gap. To further reduce the cross-organ domain gap, the auxiliary network integrates multi-scale features from different organs, aiding the universal network in acquiring domain-invariant knowledge. Systematic experiments demonstrate that COTS-Nets significantly improves the accuracy of pancreatic cancer diagnosis. Additionally, we developed the Pancreatic Cancer Endoscopic Ultrasound (PCEUS) dataset, comprising 501 pathologically confirmed pancreatic EUS images, to facilitate model development.

Shen Liu, Meirong Ma, Hao Yuan et al.

Pun location is to identify the punning word (usually a word or a phrase that makes the text ambiguous) in a given short text, and pun interpretation is to find out two different meanings of the punning word. Most previous studies adopt limited word senses obtained by WSD(Word Sense Disambiguation) technique or pronunciation information in isolation to address pun location. For the task of pun interpretation, related work pays attention to various WSD algorithms. In this paper, a model called DANN (Dual-Attentive Neural Network) is proposed for pun location, effectively integrates word senses and pronunciation with context information to address two kinds of pun at the same time. Furthermore, we treat pun interpretation as a classification task and construct pungloss pairs as processing data to solve this task. Experiments on the two benchmark datasets show that our proposed methods achieve new state-of-the-art results. Our source code is available in the public code repository.

Meng Liu, Cong Fu, Xuan Zhang et al.

Molecular property prediction is gaining increasing attention due to its diverse applications. One task of particular interests and importance is to predict quantum chemical properties without 3D equilibrium structures. This is practically favorable since obtaining 3D equilibrium structures requires extremely expensive calculations. In this work, we design a deep graph neural network to predict quantum properties by directly learning from 2D molecular graphs. In addition, we propose a 3D graph neural network to learn from low-cost conformer sets, which can be obtained with open-source tools using an affordable budget. We employ our methods to participate in the 2021 KDD Cup on OGB Large-Scale Challenge (OGB-LSC), which aims to predict the HOMO-LUMO energy gap of molecules. Final evaluation results reveal that we are one of the winners with a mean absolute error of 0.1235 on the holdout test set. Our implementation is available as part of the MoleculeX package (https://github.com/divelab/MoleculeX).

Meng Liu, Youzhi Luo, Limei Wang et al.

Although there exist several libraries for deep learning on graphs, they are aiming at implementing basic operations for graph deep learning. In the research community, implementing and benchmarking various advanced tasks are still painful and time-consuming with existing libraries. To facilitate graph deep learning research, we introduce DIG: Dive into Graphs, a turnkey library that provides a unified testbed for higher level, research-oriented graph deep learning tasks. Currently, we consider graph generation, self-supervised learning on graphs, explainability of graph neural networks, and deep learning on 3D graphs. For each direction, we provide unified implementations of data interfaces, common algorithms, and evaluation metrics. Altogether, DIG is an extensible, open-source, and turnkey library for researchers to develop new methods and effortlessly compare with common baselines using widely used datasets and evaluation metrics. Source code is available at https://github.com/divelab/DIG.

Xinyi Xu, Zhengyang Wang, Cheng Deng et al.

Grouping has been commonly used in deep metric learning for computing diverse features. However, current methods are prone to overfitting and lack interpretability. In this work, we propose an improved and interpretable grouping method to be integrated flexibly with any metric learning framework. Our method is based on the attention mechanism with a learnable query for each group. The query is fully trainable and can capture group-specific information when combined with the diversity loss. An appealing property of our method is that it naturally lends itself interpretability. The attention scores between the learnable query and each spatial position can be interpreted as the importance of that position. We formally show that our proposed grouping method is invariant to spatial permutations of features. When used as a module in convolutional neural networks, our method leads to translational invariance. We conduct comprehensive experiments to evaluate our method. Our quantitative results indicate that the proposed method outperforms prior methods consistently and significantly across different datasets, evaluation metrics, base models, and loss functions. For the first time to the best of our knowledge, our interpretation results clearly demonstrate that the proposed method enables the learning of distinct and diverse features across groups. The code is available on https://github.com/XinyiXuXD/DGML-master.

Zixu Feng, Hao Yuan

In this work, we establish that Nesterov's accelerated gradient method, applied to $C^2$ functions satisfying the Polyak--Łojasiewicz inequality around local minimizers, achieves the optimal local linear convergence rate $ρ=\frac{\sqrt{3L+μ}-2\sqrtμ}{\sqrt{3L+μ}}+\varepsilon$, where $\varepsilon$ is an arbitrarily small constant. Our analysis requires neither higher-order smoothness beyond $C^2$ of the objective function nor any additional geometric regularity of the submanifold of local minimizers. The key novelty lies in a two-stage argument: we first establish a coarse yet valid local linear convergence rate and then, building upon this a priori convergence guarantee, obtain a refined characterization of the linearized iteration operator, which yields the optimal rate. As a result, we only need to slightly strengthen the standard $C^{1,1}$ assumption, which is commonly required in theoretical analyses of linear convergence for first-order methods, to $C^2$ smoothness. Moreover, the same analytical framework allows us to recover, under identical conditions, the optimal local exponential convergence rate $\sqrtμ$ for the continuous-time Heavy Ball dynamics. Finally, a representative numerical experiment corroborates our theoretical findings.

Xingxuan Zhang, Gang Ren, Han Yu et al.

We argue that progress toward general intelligence requires complementary foundation models grounded in language, the physical world, and structured data. This report presents LimiX-16M and LimiX-2M, two instantiations of our large structured-data models (LDMs). Both models treat structured data as a joint distribution over variables and missingness, thus capable of addressing a wide range of tabular tasks through query-based conditional prediction via a single model. They are pretrained using masked joint-distribution modeling with an episodic, context-conditional objective, supporting rapid, training-free adaptation at inference. We evaluate LimiX models across 11 large structured-data benchmarks with broad regimes of sample size, feature dimensionality, class number, categorical-to-numerical feature ratio, missingness, and sample-to-feature ratios. LimiX-16M consistently surpasses strong baselines, as shown in Figure 1 and Figure 2. The superiority holds across a wide range of tasks, such as classification, regression, missing value imputation, and data generation, often by substantial margins, while avoiding task-specific architectures or bespoke training per task. Notably, LimiX-2M delivers strong results under tight compute and memory budgets. We also present the first scaling law study for LDMs, revealing how data and model scaling jointly influence downstream performance and offering quantitative guidance for tabular foundation modeling. All LimiX models are publicly accessible under Apache 2.0.

Ruijie Xi, He Ba, Hao Yuan et al.

Embedding-Based Retrieval (EBR) is an important technique in modern search engines, enabling semantic match between search queries and relevant results. However, search logging data on platforms like Facebook Marketplace lacks the diversity and details needed for effective EBR model training, limiting the models' ability to capture nuanced search patterns. To address this challenge, we propose Aug2Search, an EBR-based framework leveraging synthetic data generated by Generative AI (GenAI) models, in a multimodal and multitask approach to optimize query-product relevance. This paper investigates the capabilities of GenAI, particularly Large Language Models (LLMs), in generating high-quality synthetic data, and analyzing its impact on enhancing EBR models. We conducted experiments using eight Llama models and 100 million data points from Facebook Marketplace logs. Our synthetic data generation follows three strategies: (1) generate queries, (2) enhance product listings, and (3) generate queries from enhanced listings. We train EBR models on three different datasets: sampled engagement data or original data ((e.g., "Click" and "Listing Interactions")), synthetic data, and a mixture of both engagement and synthetic data to assess their performance across various training sets. Our findings underscore the robustness of Llama models in producing synthetic queries and listings with high coherence, relevance, and diversity, while maintaining low levels of hallucination. Aug2Search achieves an improvement of up to 4% in ROC_AUC with 100 million synthetic data samples, demonstrating the effectiveness of our approach. Moreover, our experiments reveal that with the same volume of training data, models trained exclusively on synthetic data often outperform those trained on original data only or a mixture of original and synthetic data.

Hao Yuan, Haiyang Yu, Jie Wang et al.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Hao Yuan, Shuiwang Ji

Investigating graph feature learning becomes essentially important with the emergence of graph data in many real-world applications. Several graph neural network approaches are proposed for node feature learning and they generally follow a neighboring information aggregation scheme to learn node features. While great performance has been achieved, the weights learning for different neighboring nodes is still less explored. In this work, we propose a novel graph network layer, known as Node2Seq, to learn node embeddings with explicitly trainable weights for different neighboring nodes. For a target node, our method sorts its neighboring nodes via attention mechanism and then employs 1D convolutional neural networks (CNNs) to enable explicit weights for information aggregation. In addition, we propose to incorporate non-local information for feature learning in an adaptive manner based on the attention scores. Experimental results demonstrate the effectiveness of our proposed Node2Seq layer and show that the proposed adaptively non-local information learning can improve the performance of feature learning.

Hao Yuan, Haiyang Yu, Shurui Gui et al.

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing post hoc techniques to explain the predictions, giving rise to the area of explainability. Recently, explainability of deep models on images and texts has achieved significant progress. In the area of graph data, graph neural networks (GNNs) and their explainability are experiencing rapid developments. However, there is neither a unified treatment of GNN explainability methods, nor a standard benchmark and testbed for evaluations. In this survey, we provide a unified and taxonomic view of current GNN explainability methods. Our unified and taxonomic treatments of this subject shed lights on the commonalities and differences of existing methods and set the stage for further methodological developments. To facilitate evaluations, we generate a set of benchmark graph datasets specifically for GNN explainability. We summarize current datasets and metrics for evaluating GNN explainability. Altogether, this work provides a unified methodological treatment of GNN explainability and a standardized testbed for evaluations.

Mohammad Kachuee, Hao Yuan, Young-Bum Kim et al.

Turn-level user satisfaction is one of the most important performance metrics for conversational agents. It can be used to monitor the agent's performance and provide insights about defective user experiences. Moreover, a powerful satisfaction model can be used as an objective function that a conversational agent continuously optimizes for. While end-to-end deep learning has shown promising results, having access to a large number of reliable annotated samples required by these methods remains challenging. In a large-scale conversational system, there is a growing number of newly developed skills, making the traditional data collection, annotation, and modeling process impractical due to the required annotation costs as well as the turnaround times. In this paper, we suggest a self-supervised contrastive learning approach that leverages the pool of unlabeled data to learn user-agent interactions. We show that the pre-trained models using the self-supervised objective are transferable to the user satisfaction prediction. In addition, we propose a novel few-shot transfer learning approach that ensures better transferability for very small sample sizes. The suggested few-shot method does not require any inner loop optimization process and is scalable to very large datasets and complex models. Based on our experiments using real-world data from a large-scale commercial system, the suggested approach is able to significantly reduce the required number of annotations, while improving the generalization on unseen out-of-domain skills.

Yi Liu, Hao Yuan, Lei Cai et al.

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep neural networks and predict the interaction of each amino acid pair independently. However, these methods do not incorporate the important sequential information from amino acid chains and the high-order pairwise interactions. Intuitively, the prediction of an amino acid pair should depend on both their features and the information of other amino acid pairs. In this work, we propose to formulate the protein interface prediction as a 2D dense prediction problem. In addition, we propose a novel deep model to incorporate the sequential information and high-order pairwise interactions to perform interface predictions. We represent proteins as graphs and employ graph neural networks to learn node features. Then we propose the sequential modeling method to incorporate the sequential information and reorder the feature matrix. Next, we incorporate high-order pairwise interactions to generate a 3D tensor containing different pairwise interactions. Finally, we employ convolutional neural networks to perform 2D dense predictions. Experimental results on multiple benchmarks demonstrate that our proposed method can consistently improve the protein interface prediction performance.

Hao Yuan, Jiliang Tang, Xia Hu et al.

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible explanations. Thus, they cannot be fully trusted and used in certain application domains if GNN models cannot be explained. In this work, we propose a novel approach, known as XGNN, to interpret GNNs at the model-level. Our approach can provide high-level insights and generic understanding of how GNNs work. In particular, we propose to explain GNNs by training a graph generator so that the generated graph patterns maximize a certain prediction of the model.We formulate the graph generation as a reinforcement learning task, where for each step, the graph generator predicts how to add an edge into the current graph. The graph generator is trained via a policy gradient method based on information from the trained GNNs. In addition, we incorporate several graph rules to encourage the generated graphs to be valid. Experimental results on both synthetic and real-world datasets show that our proposed methods help understand and verify the trained GNNs. Furthermore, our experimental results indicate that the generated graphs can provide guidance on how to improve the trained GNNs.

Dookun Park, Hao Yuan, Dongmin Kim et al.

Measuring user satisfaction level is a challenging task, and a critical component in developing large-scale conversational agent systems serving the needs of real users. An widely used approach to tackle this is to collect human annotation data and use them for evaluation or modeling. Human annotation based approaches are easier to control, but hard to scale. A novel alternative approach is to collect user's direct feedback via a feedback elicitation system embedded to the conversational agent system, and use the collected user feedback to train a machine-learned model for generalization. User feedback is the best proxy for user satisfaction, but is not available for some ineligible intents and certain situations. Thus, these two types of approaches are complementary to each other. In this work, we tackle the user satisfaction assessment problem with a hybrid approach that fuses explicit user feedback, user satisfaction predictions inferred by two machine-learned models, one trained on user feedback data and the other human annotation data. The hybrid approach is based on a waterfall policy, and the experimental results with Amazon Alexa's large-scale datasets show significant improvements in inferring user satisfaction. A detailed hybrid architecture, an in-depth analysis on user feedback data, and an algorithm that generates data sets to properly simulate the live traffic are presented in this paper.

Fan Yang, Shiva K. Pentyala, Sina Mohseni et al.

In this demo paper, we present the XFake system, an explainable fake news detector that assists end-users to identify news credibility. To effectively detect and interpret the fakeness of news items, we jointly consider both attributes (e.g., speaker) and statements. Specifically, MIMIC, ATTN and PERT frameworks are designed, where MIMIC is built for attribute analysis, ATTN is for statement semantic analysis and PERT is for statement linguistic analysis. Beyond the explanations extracted from the designed frameworks, relevant supporting examples as well as visualization are further provided to facilitate the interpretation. Our implemented system is demonstrated on a real-world dataset crawled from PolitiFact, where thousands of verified political news have been collected.

Yi Liu, Hao Yuan, Zhengyang Wang et al.

Visualizing the details of different cellular structures is of great importance to elucidate cellular functions. However, it is challenging to obtain high quality images of different structures directly due to complex cellular environments. Fluorescence staining is a popular technique to label different structures but has several drawbacks. In particular, label staining is time consuming and may affect cell morphology, and simultaneous labels are inherently limited. This raises the need of building computational models to learn relationships between unlabeled microscopy images and labeled fluorescence images, and to infer fluorescence labels of other microscopy images excluding the physical staining process. We propose to develop a novel deep model for virtual staining of unlabeled microscopy images. We first propose a novel network layer, known as the global pixel transformer layer, that fuses global information from inputs effectively. The proposed global pixel transformer layer can generate outputs with arbitrary dimensions, and can be employed for all the regular, down-sampling, and up-sampling operators. We then incorporate our proposed global pixel transformer layers and dense blocks to build an U-Net like network. We believe such a design can promote feature reusing between layers. In addition, we propose a multi-scale input strategy to encourage networks to capture features at different scales. We conduct evaluations across various fluorescence image prediction tasks to demonstrate the effectiveness of our approach. Both quantitative and qualitative results show that our method outperforms the state-of-the-art approach significantly. It is also shown that our proposed global pixel transformer layer is useful to improve the fluorescence image prediction results.

Zhengyang Wang, Hao Yuan, Shuiwang Ji

The key idea of variational auto-encoders (VAEs) resembles that of traditional auto-encoder models in which spatial information is supposed to be explicitly encoded in the latent space. However, the latent variables in VAEs are vectors, which can be interpreted as multiple feature maps of size 1x1. Such representations can only convey spatial information implicitly when coupled with powerful decoders. In this work, we propose spatial VAEs that use feature maps of larger size as latent variables to explicitly capture spatial information. This is achieved by allowing the latent variables to be sampled from matrix-variate normal (MVN) distributions whose parameters are computed from the encoder network. To increase dependencies among locations on latent feature maps and reduce the number of parameters, we further propose spatial VAEs via low-rank MVN distributions. Experimental results show that the proposed spatial VAEs outperform original VAEs in capturing rich structural and spatial information.

Hongyang Gao, Hao Yuan, Zhengyang Wang et al.

Deconvolutional layers have been widely used in a variety of deep models for up-sampling, including encoder-decoder networks for semantic segmentation and deep generative models for unsupervised learning. One of the key limitations of deconvolutional operations is that they result in the so-called checkerboard problem. This is caused by the fact that no direct relationship exists among adjacent pixels on the output feature map. To address this problem, we propose the pixel deconvolutional layer (PixelDCL) to establish direct relationships among adjacent pixels on the up-sampled feature map. Our method is based on a fresh interpretation of the regular deconvolution operation. The resulting PixelDCL can be used to replace any deconvolutional layer in a plug-and-play manner without compromising the fully trainable capabilities of original models. The proposed PixelDCL may result in slight decrease in efficiency, but this can be overcome by an implementation trick. Experimental results on semantic segmentation demonstrate that PixelDCL can consider spatial features such as edges and shapes and yields more accurate segmentation outputs than deconvolutional layers. When used in image generation tasks, our PixelDCL can largely overcome the checkerboard problem suffered by regular deconvolution operations.