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Recent research on integrating Large Language Models (LLMs) with Graph Neural Networks (GNNs) typically follows two approaches: LLM-centered models, which convert graph data into tokens for LLM processing, and GNN-centered models, which use LLMs to encode text features into node and edge representations for GNN input. LLM-centered models often struggle to capture graph structures effectively, while GNN-centered models compress variable-length textual data into fixed-size vectors, limiting their ability to understand complex semantics. Additionally, GNN-centered approaches require converting tasks into a uniform, manually-designed format, restricting them to classification tasks and preventing language output. To address these limitations, we introduce a new architecture that deeply integrates GNN with LLM, featuring three key innovations: (1) Structure-Aware Transformers, which incorporate GNN's message-passing capabilities directly into LLM's transformer layers, allowing simultaneous processing of textual and structural information and generating outputs from both GNN and LLM; (2) Graph-Text Cross-Attention, which processes full, uncompressed text from graph nodes and edges, ensuring complete semantic integration; and (3) GNN-LLM Twin Predictor, enabling LLM's flexible autoregressive generation alongside GNN's scalable one-pass prediction. GL-Fusion achieves outstand performance on various tasks. Notably, it achieves state-of-the-art performance on OGBN-Arxiv and OGBG-Code2., Comment: under review

Recommending items solely catering to users' historical interests narrows users' horizons. Recent works have considered steering target users beyond their historical interests by directly adjusting items exposed to them. However, the recommended items for direct steering might not align perfectly with users' interests evolution, detrimentally affecting target users' experience. To avoid this issue, we propose a new task named Proactive Recommendation in Social Networks (PRSN) that indirectly steers users' interest by utilizing the influence of social neighbors, i.e., indirect steering by adjusting the exposure of a target item to target users' neighbors. The key to PRSN lies in answering an interventional question: what would a target user's feedback be on a target item if the item is exposed to the user's different neighbors? To answer this question, we resort to causal inference and formalize PRSN as: (1) estimating the potential feedback of a user on an item, under the network interference by the item's exposure to the user's neighbors; and (2) adjusting the exposure of a target item to target users' neighbors to trade off steering performance and the damage to the neighbors' experience. To this end, we propose a Neighbor Interference Recommendation (NIRec) framework with two key modules: (1)an interference representation-based estimation module for modeling potential feedback; and (2) a post-learning-based optimization module for optimizing a target item's exposure to trade off steering performance and the neighbors' experience by greedy search. We conduct extensive semi-simulation experiments based on three real-world datasets, validating the steering effectiveness of NIRec.

Recommender systems have achieved increasing accuracy over the years. However, this precision often leads users to narrow their interests, resulting in issues such as limited diversity and the creation of echo chambers. Current research addresses these challenges through proactive recommender systems by recommending a sequence of items (called influence path) to guide user interest in the target item. However, existing methods struggle to construct a coherent influence path that builds up with items the user is likely to enjoy. In this paper, we leverage the Large Language Model's (LLMs) exceptional ability for path planning and instruction following, introducing a novel approach named LLM-based Influence Path Planning (LLM-IPP). Our approach maintains coherence between consecutive recommendations and enhances user acceptability of the recommended items. To evaluate LLM-IPP, we implement various user simulators and metrics to measure user acceptability and path coherence. Experimental results demonstrate that LLM-IPP significantly outperforms traditional proactive recommender systems. This study pioneers the integration of LLMs into proactive recommender systems, offering a reliable and user-engaging methodology for future recommendation technologies., Comment: 5 pages, 1 figure

Monocular depth estimation in colonoscopy video aims to overcome the unusual lighting properties of the colonoscopic environment. One of the major challenges in this area is the domain gap between annotated but unrealistic synthetic data and unannotated but realistic clinical data. Previous attempts to bridge this domain gap directly target the depth estimation task itself. We propose a general pipeline of structure-preserving synthetic-to-real (sim2real) image translation (producing a modified version of the input image) to retain depth geometry through the translation process. This allows us to generate large quantities of realistic-looking synthetic images for supervised depth estimation with improved generalization to the clinical domain. We also propose a dataset of hand-picked sequences from clinical colonoscopies to improve the image translation process. We demonstrate the simultaneous realism of the translated images and preservation of depth maps via the performance of downstream depth estimation on various datasets., Comment: 12 pages, 7 figures, accepted at MICCAI 2024

We explore the bound neutrons decay into invisible particles (e.g., $n\rightarrow 3 \nu$ or $nn \rightarrow 2 \nu$) in the JUNO liquid scintillator detector. The invisible decay includes two decay modes: $ n \rightarrow { inv} $ and $ nn \rightarrow { inv} $. The invisible decays of $s$-shell neutrons in $^{12}{\rm C}$ will leave a highly excited residual nucleus. Subsequently, some de-excitation modes of the excited residual nuclei can produce a time- and space-correlated triple coincidence signal in the JUNO detector. Based on a full Monte Carlo simulation informed with the latest available data, we estimate all backgrounds, including inverse beta decay events of the reactor antineutrino $\bar{\nu}_e$, natural radioactivity, cosmogenic isotopes and neutral current interactions of atmospheric neutrinos. Pulse shape discrimination and multivariate analysis techniques are employed to further suppress backgrounds. With two years of exposure, JUNO is expected to give an order of magnitude improvement compared to the current best limits. After 10 years of data taking, the JUNO expected sensitivities at a 90% confidence level are $\tau/B( n \rightarrow { inv} ) > 5.0 \times 10^{31} \, {\rm yr}$ and $\tau/B( nn \rightarrow { inv} ) > 1.4 \times 10^{32} \, {\rm yr}$., Comment: 28 pages, 7 figures, 4 tables

In settings where most deaths occur outside the healthcare system, verbal autopsies (VAs) are a common tool to monitor trends in causes of death (COD). VAs are interviews with a surviving caregiver or relative that are used to predict the decedent's COD. Turning VAs into actionable insights for researchers and policymakers requires two steps (i) predicting likely COD using the VA interview and (ii) performing inference with predicted CODs (e.g. modeling the breakdown of causes by demographic factors using a sample of deaths). In this paper, we develop a method for valid inference using outcomes (in our case COD) predicted from free-form text using state-of-the-art NLP techniques. This method, which we call multiPPI++, extends recent work in "prediction-powered inference" to multinomial classification. We leverage a suite of NLP techniques for COD prediction and, through empirical analysis of VA data, demonstrate the effectiveness of our approach in handling transportability issues. multiPPI++ recovers ground truth estimates, regardless of which NLP model produced predictions and regardless of whether they were produced by a more accurate predictor like GPT-4-32k or a less accurate predictor like KNN. Our findings demonstrate the practical importance of inference correction for public health decision-making and suggests that if inference tasks are the end goal, having a small amount of contextually relevant, high quality labeled data is essential regardless of the NLP algorithm., Comment: 12 pages, 7 figures

Monocular depth estimation in endoscopy videos can enable assistive and robotic surgery to obtain better coverage of the organ and detection of various health issues. Despite promising progress on mainstream, natural image depth estimation, techniques perform poorly on endoscopy images due to a lack of strong geometric features and challenging illumination effects. In this paper, we utilize the photometric cues, i.e., the light emitted from an endoscope and reflected by the surface, to improve monocular depth estimation. We first create two novel loss functions with supervised and self-supervised variants that utilize a per-pixel shading representation. We then propose a novel depth refinement network (PPSNet) that leverages the same per-pixel shading representation. Finally, we introduce teacher-student transfer learning to produce better depth maps from both synthetic data with supervision and clinical data with self-supervision. We achieve state-of-the-art results on the C3VD dataset while estimating high-quality depth maps from clinical data. Our code, pre-trained models, and supplementary materials can be found on our project page: https://ppsnet.github.io/, Comment: Accepted to ECCV 2024. 27 pages, 8 tables, 8 figures. Updated to include reference to clinical dataset

Recommender systems mainly tailor personalized recommendations according to user interests learned from user feedback. However, such recommender systems passively cater to user interests and even reinforce existing interests in the feedback loop, leading to problems like filter bubbles and opinion polarization. To counteract this, proactive recommendation actively steers users towards developing new interests in a target item or topic by strategically modulating recommendation sequences. Existing work for proactive recommendation faces significant hurdles: 1) overlooking the user feedback in the guidance process; 2) lacking explicit modeling of the guiding objective; and 3) insufficient flexibility for integration into existing industrial recommender systems. To address these issues, we introduce an Iterative Preference Guidance (IPG) framework. IPG performs proactive recommendation in a flexible post-processing manner by ranking items according to their IPG scores that consider both interaction probability and guiding value. These scores are explicitly estimated with iteratively updated user representation that considers the most recent user interactions. Extensive experiments validate that IPG can effectively guide user interests toward target interests with a reasonable trade-off in recommender accuracy. The code is available at https://github.com/GabyUSTC/IPG-Rec., Comment: Accepted by WWW 2024 (Short)

Graph computing has become increasingly crucial in processing large-scale graph data, with numerous systems developed for this purpose. Two years ago, we introduced GraphScope as a system addressing a wide array of graph computing needs, including graph traversal, analytics, and learning in one system. Since its inception, GraphScope has achieved significant technological advancements and gained widespread adoption across various industries. However, one key lesson from this journey has been understanding the limitations of a "one-size-fits-all" approach, especially when dealing with the diversity of programming interfaces, applications, and data storage formats in graph computing. In response to these challenges, we present GraphScope Flex, the next iteration of GraphScope. GraphScope Flex is designed to be both resource-efficient and cost-effective, while also providing flexibility and user-friendliness through its LEGO-like modularity. This paper explores the architectural innovations and fundamental design principles of GraphScope Flex, all of which are direct outcomes of the lessons learned during our ongoing development process. We validate the adaptability and efficiency of GraphScope Flex with extensive evaluations on synthetic and real-world datasets. The results show that GraphScope Flex achieves 2.4X throughput and up to 55.7X speedup over other systems on the LDBC Social Network and Graphalytics benchmarks, respectively. Furthermore, GraphScope Flex accomplishes up to a 2,400X performance gain in real-world applications, demonstrating its proficiency across a wide range of graph computing scenarios with increased effectiveness.

We present a reduced-cost implementation of the state-averaged driven similarity renormalization group (SA-DSRG) based on the frozen natural orbital (FNO) approach. The natural orbitals (NOs) are obtained by diagonalizing the one-body reduced density matrix from SA-DSRG second-order perturbation theory (SA-DSRG-PT2). Subsequently, the virtual NOs with occupation numbers (ONs) smaller than a user-defined threshold are excluded from the high-level electron correlation treatment beyond SA-DSRG-PT2. An additive second-order correction is applied to the SA-DSRG Hamiltonian to reintroduce the correlation effect from the discarded orbitals. The FNO SA-DSRG method is benchmarked on 35 small organic molecules in the QUEST database. When keeping 98-99% of the cumulative ONs, the mean absolute error in the vertical transition energies due to FNO is less than 0.01 eV. Using the same FNO threshold, we observe a speedup of 9 times the conventional SA-DSRG implementation for nickel carbonyl with a quadruple-$\zeta$ basis set. The FNO approach enables third-order SA-DSRG perturbation theory computations on chloroiron corrole [FeCl(C$_{19}$H$_{11}$N$_4$)] with more than 1000 basis functions.

Predicting the structure of interacting chains is crucial for understanding biological systems and developing new drugs. Large-scale pre-trained Protein Language Models (PLMs), such as ESM2, have shown impressive abilities in extracting biologically meaningful representations for protein structure prediction. In this paper, we show that ESMFold, which has been successful in computing accurate atomic structures for single-chain proteins, can be adapted to predict the heterodimer structures in a lightweight manner. We propose Linker-tuning, which learns a continuous prompt to connect the two chains in a dimer before running it as a single sequence in ESMFold. Experiment results show that our method successfully predicts 56.98% of interfaces on the i.i.d. heterodimer test set, with an absolute improvement of +12.79% over the ESMFold-Linker baseline. Furthermore, our model can generalize well to the out-of-distribution (OOD) test set HeteroTest2 and two antibody test sets Fab and Fv while being $9\times$ faster than AF-Multimer.

Taxi drivers often take much time to navigate the streets to look for passengers, which leads to high vacancy rates and wasted resources. Empty taxi cruising remains a big concern for taxi companies. Analyzing the pick-up point selection behavior can solve this problem effectively, providing suggestions for taxi management and dispatch. Many studies have been devoted to analyzing and recommending hot-spot regions of pick-up points, which can make it easier for drivers to pick up passengers. However, the selection of pick-up points is complex and affected by multiple factors, such as convenience and traffic management. Most existing approaches cannot produce satisfactory results in real-world applications because of the changing travel demands and the lack of interpretability. In this paper, we introduce a visual analytics system, T-PickSeer, for taxi company analysts to better explore and understand the pick-up point selection behavior of passengers. We explore massive taxi GPS data and employ an overview-to-detail approach to enable effective analysis of pick-up point selection. Our system provides coordinated views to compare different regularities and characteristics in different regions. Also, our system assists in identifying potential pick-up points and checking the performance of each pick-up point. Three case studies based on a real-world dataset and interviews with experts have demonstrated the effectiveness of our system., Comment: 10 pages, 10 figures; The 10th China Visualization and Visual Analytics Conference

This paper analyzes a $\theta$-method and 3-point time filter. This approach adds one additional line of code to the existing source code of $\theta$-method. We prove the method's $0$-stability, accuracy, and $A$-stability for both constant time step and variable time step. Some numerical tests are performed to validate the theoretical results., Comment: 23 pages, 3 tables,14 figures