OpenRaiser/Intern-Atlas huggingface dataset:
IDToolkit: A Toolkit for Benchmarking and Developing Inverse Design Algorithms in Nanophotonics
Venue: Conference KDD 2023
Year: 2023

Aiding humans with scientific designs is one of the most exciting of artificial intelligence (AI) and machine learning (ML), due to their potential for the discovery of new drugs, design of new materials and chemical compounds, etc. However, scientific design typically requires complex domain knowledge that is not familiar to AI researchers. Further, scientific studies involve professional skills to perform experiments and evaluations. These obstacles prevent AI researchers from developing specialized methods for scientific designs. To take a step towards easy-to-understand and reproducible research of scientific design, we propose a benchmark for the inverse design of nanophotonic devices, which can be verified computationally and accurately. Specifically, we implemented three different nanophotonic design problems, namely a radiative cooler, a selective emitter for thermophotovoltaics, and structural color filters, all of which are different in design parameter spaces, complexity, and design targets. The benchmark environments are implemented with an open-source simulator. We further implemented 10 different inverse design algorithms and compared them in a reproducible and fair framework. The results revealed the strengths and weaknesses of existing methods, which shed light on several future directions for developing more efficient inverse design algorithms. Our benchmark can also serve as the starting point for more challenging scientific design problems. The code of IDToolkit is available at https://github.com/ThyrixYang/IDToolkit.
One-shot Joint Extraction, Registration and Segmentation of Neuroimaging Data
Venue: Conference KDD 2023
Year: 2023

Brain extraction, registration and segmentation are indispensable preprocessing steps in neuroimaging studies. The aim is to extract the brain from raw imaging scans (i.e., extraction step), align it with a target brain image (i.e., registration step) and label the anatomical brain regions (i.e., segmentation step). Conventional studies typically focus on developing separate methods for the extraction, registration and segmentation tasks in a supervised setting. The performance of these methods is largely contingent on the quantity of training samples and the extent of visual inspections carried out by experts for error correction. Nevertheless, collecting voxel-level labels and performing manual quality control on high-dimensional neuroimages (e.g., 3D MRI) are expensive and time-consuming in many medical studies. In this paper, we study the problem of one-shot joint extraction, registration and segmentation in neuroimaging data, which exploits only one labeled template image (a.k.a. atlas) and a few unlabeled raw images for training. We propose a unified end-to-end framework, called JERS, to jointly optimize the extraction, registration and segmentation tasks, allowing feedback among them. Specifically, we use a group of extraction, registration and segmentation modules to learn the extraction mask, transformation and segmentation mask, where modules are interconnected and mutually reinforced by self-supervision. Empirical results on real-world datasets demonstrate that our proposed method performs exceptionally in the extraction, registration and segmentation tasks. Our code and data can be found at https://github.com/Anonymous4545/JERS
Improving Expressivity of GNNs with Subgraph-specific Factor Embedded Normalization
Venue: Conference KDD 2023
Year: 2023

Graph Neural Networks (GNNs) have emerged as a powerful category of learning architecture for handling graph-structured data. However, existing GNNs typically ignore crucial structural characteristics in node-induced subgraphs, which thus limits their expressiveness for various downstream tasks. In this paper, we strive to strengthen the representative capabilities of GNNs by devising a dedicated plug-and-play normalization scheme, termed as SUbgraph-sPEcific FactoR Embedded Normalization (SuperNorm), that explicitly considers the intra-connection information within each node-induced subgraph. To this end, we embed the subgraph-specific factor at the beginning and the end of the standard BatchNorm, as well as incorporate graph instance-specific statistics for improved distinguishable capabilities. In the meantime, we provide theoretical analysis to support that, with the elaborated SuperNorm, an arbitrary GNN is at least as powerful as the 1-WL test in distinguishing non-isomorphism graphs. Furthermore, the proposed SuperNorm scheme is also demonstrated to alleviate the over-smoothing phenomenon. Experimental results related to predictions of graph, node, and link properties on the eight popular datasets demonstrate the effectiveness of the proposed method. The code is available at https://github.com/chenchkx/SuperNorm.
Ball Trajectory Inference from Multi-Agent Sports Contexts Using Set Transformer and Hierarchical Bi-LSTM
Venue: Conference KDD 2023
Year: 2023

As artificial intelligence spreads out to numerous fields, the application of AI to sports analytics is also in the spotlight. However, one of the major challenges is the difficulty of automated acquisition of continuous movement data during sports matches. In particular, it is a conundrum to reliably track a tiny ball on a wide soccer pitch with obstacles such as occlusion and imitations. Tackling the problem, this paper proposes an inference framework of ball trajectory from player trajectories as a cost-efficient alternative to ball tracking. We combine Set Transformers to get permutation-invariant and equivariant representations of the multi-agent contexts with a hierarchical architecture that intermediately predicts the player ball possession to support the final trajectory inference. Also, we introduce the reality loss term and postprocessing to secure the estimated trajectories to be physically realistic. The experimental results show that our model provides natural and accurate trajectories as well as admissible player ball possession at the same time. Lastly, we suggest several practical applications of our framework including missing trajectory imputation, semi-automated pass annotation, automated zoom-in for match broadcasting, and calculating possession-wise running performance metrics.
Generative Flow Network for Listwise Recommendation
Venue: Conference KDD 2023
Year: 2023

Personalized recommender systems fulfill the daily demands of customers and boost online businesses. The goal is to learn a policy that can generate a list of items that matches the user's demand or interest. While most existing methods learn a pointwise scoring model that predicts the ranking score of each individual item, recent research shows that the listwise approach can further improve the recommendation quality by modeling the intra-list correlations of items that are exposed together. This has motivated the recent list reranking and generative recommendation approaches that optimize the overall utility of the entire list. However, it is challenging to explore the combinatorial space of list actions and existing methods that use cross-entropy loss may suffer from low diversity issues. In this work, we aim to learn a policy that can generate sufficiently diverse item lists for users while maintaining high recommendation quality. The proposed solution, GFN4Rec, is a generative method that takes the insight of the flow network to ensure the alignment between list generation probability and its reward. The key advantages of our solution are the log scale reward matching loss that intrinsically improves the generation diversity and the autoregressive item selection model that captures the item mutual influences while capturing future reward of the list. As validation of our method's effectiveness and its superior diversity during active exploration, we conduct experiments on simulated online environments as well as an offline evaluation framework for two real-world datasets.
Maximizing Neutrality in News Ordering
Venue: Conference KDD 2023
Year: 2023

The detection of fake news has received increasing attention over the past few years, but there are more subtle ways of deceiving one's audience. In addition to the content of news stories, their presentation can also be made misleading or biased. In this work, we study the impact of the ordering of news stories on audience perception. We introduce the problems of detecting cherry-picked news orderings and maximizing neutrality in news orderings. We prove hardness results and present several algorithms for approximately solving these problems. Furthermore, we provide extensive experimental results and present evidence of potential cherry-picking in the real world.
LEA: Improving Sentence Similarity Robustness to Typos Using Lexical Attention Bias
Venue: Conference KDD 2023
Year: 2023

Textual noise, such as typos or abbreviations, is a well-known issue that penalizes vanilla Transformers for most downstream tasks. We show that this is also the case for sentence similarity, a fundamental task in multiple domains, e.g. matching, retrieval or paraphrasing. Sentence similarity can be approached using cross-encoders, where the two sentences are concatenated in the input allowing the model to exploit the inter-relations between them. Previous works addressing the noise issue mainly rely on data augmentation strategies, showing improved robustness when dealing with corrupted samples that are similar to the ones used for training. However, all these methods still suffer from the token distribution shift induced by typos. In this work, we propose to tackle textual noise by equipping cross-encoders with a novel LExical-aware Attention module (LEA) that incorporates lexical similarities between words in both sentences. By using raw text similarities, our approach avoids the tokenization shift problem obtaining improved robustness. We demonstrate that the attention bias introduced by LEA helps cross-encoders to tackle complex scenarios with textual noise, specially in domains with short-text descriptions and limited context. Experiments using three popular Transformer encoders in five e-commerce datasets for product matching show that LEA consistently boosts performance under the presence of noise, while remaining competitive on the original (clean) splits. We also evaluate our approach in two datasets for textual entailment and paraphrasing showing that LEA is robust to typos in domains with longer sentences and more natural context. Additionally, we thoroughly analyze several design choices in our approach, providing insights about the impact of the decisions made and fostering future research in cross-encoders dealing with typos.
Fusing Multimodal Signals on Hyper-complex Space for Extreme Abstractive Text Summarization (TL;DR) of Scientific Contents
Venue: Conference KDD 2023
Year: 2023

The realm of scientific text summarization has experienced remarkable progress due to the availability of annotated brief summaries and ample data. However, the utilization of multiple input modalities, such as videos and audio, has yet to be thoroughly explored. At present, scientific multimodal-input-based text summarization systems tend to employ longer target summaries like abstracts, leading to an underwhelming performance in the task of text summarization. In this paper, we deal with a novel task of extreme abstractive text summarization (aka TL;DR generation) by leveraging multiple input modalities. To this end, we introduce mTLDR, a first-of-its-kind dataset for the aforementioned task, comprising videos, audio, and text, along with both author-composed summaries and expert-annotated summaries. The mTLDR dataset accompanies a total of 4,182 instances collected from various academic conference proceedings, such as ICLR, ACL, and CVPR. Subsequently, we present mTLDRgen, an encoder-decoder-based model that employs a novel dual-fused hyper-complex Transformer combined with a Wasserstein Riemannian Encoder Transformer, to dexterously capture the intricacies between different modalities in a hyper-complex latent geometric space. The hyper-complex Transformer captures the intrinsic properties between the modalities, while the Wasserstein Riemannian Encoder Transformer captures the latent structure of the modalities in the latent space geometry, thereby enabling the model to produce diverse sentences. mTLDRgen outperforms 20 baselines on mTLDR as well as another non-scientific dataset (How2) across three Rouge-based evaluation measures. Furthermore, based on the qualitative metrics, BERTScore and FEQA, and human evaluations, we demonstrate that the summaries generated by mTLDRgen are fluent and congruent to the original source material.
Knowledge Graph Reasoning over Entities and Numerical Values
Venue: Conference KDD 2023
Year: 2023

A complex logic query in a knowledge graph refers to a query expressed in logic form that conveys a complex meaning, such as where did the Canadian Turing award winner graduate from? Knowledge graph reasoning-based applications, such as dialogue systems and interactive search engines, rely on the ability to answer complex logic queries as a fundamental task. In most knowledge graphs, edges are typically used to either describe the relationships between entities or their associated attribute values. An attribute value can be in categorical or numerical format, such as dates, years, sizes, etc. However, existing complex query answering (CQA) methods simply treat numerical values in the same way as they treat entities. This can lead to difficulties in answering certain queries, such as which Australian Pulitzer award winner is born before 1927, and which drug is a pain reliever and has fewer side effects than Paracetamol. In this work, inspired by the recent advances in numerical encoding and knowledge graph reasoning, we propose numerical complex query answering. In this task, we introduce new numerical variables and operations to describe queries involving numerical attribute values. To address the difference between entities and numerical values, we also propose the framework of Number Reasoning Network (NRN) for alternatively encoding entities and numerical values into separate encoding structures. During the numerical encoding process, NRN employs a parameterized density function to encode the distribution of numerical values. During the entity encoding process, NRN uses established query encoding methods for the original CQA problem. Experimental results show that NRN consistently improves various query encoding methods on three different knowledge graphs and achieves state-of-the-art results.
SMILE: Evaluation and Domain Adaptation for Social Media Language Understanding
Venue: Conference KDD 2023
Year: 2023

We study the ability of transformer-based language models (LMs) to understand social media language. Social media (SM) language is distinct from standard written language, yet existing benchmarks fall short of capturing LM performance in this socially, economically, and politically important domain. We quantify the degree to which social media language differs from conventional language and conclude that the difference is significant both in terms of token distribution and rate of linguistic shift. Next, we introduce a new benchmark for Social MedIa Language Evaluation (SMILE) that covers four SM platforms and eleven tasks. Finally, we show that learning a tokenizer and pretraining on a mix of social media and conventional language yields an LM that outperforms the best similar-sized alternative by 4.2 points on the overall SMILE score.
Augmenting Rule-based DNS Censorship Detection at Scale with Machine Learning
Venue: Conference KDD 2023
Year: 2023

The proliferation of global censorship has led to the development of a plethora of measurement platforms to monitor and expose it. Censorship of the domain name system (DNS) is a key mechanism used across different countries. It is currently detected by applying heuristics to samples of DNS queries and responses (probes) for specific destinations. These heuristics, however, are both platform-specific and have been found to be brittle when censors change their blocking behavior, necessitating a more reliable automated process for detecting censorship. In this paper, we explore how machine learning (ML) models can (1) help streamline the detection process, (2) improve the potential of using large-scale datasets for censorship detection, and (3) discover new censorship instances and blocking signatures missed by existing heuristic methods. Our study shows that supervised models, trained using expert-derived labels on instances of known anomalies and possible censorship, can learn the detection heuristics employed by different measurement platforms. More crucially, we find that unsupervised models, trained solely on uncensored instances, can identify new instances and variations of censorship missed by existing heuristics. Moreover, both methods demonstrate the capability to uncover a substantial number of new DNS blocking signatures, i.e., injected fake IP addresses overlooked by existing heuristics. These results are underpinned by an important methodological finding: comparing the outputs of models trained using the same probes but with labels arising from independent processes allows us to more reliably detect cases of censorship in the absence of ground-truth labels of censorship.
On Improving the Cohesiveness of Graphs by Merging Nodes: Formulation, Analysis, and Algorithms
Venue: Conference KDD 2023
Year: 2023

Graphs are a powerful mathematical model, and they are used to represent real-world structures in various fields. In many applications, real-world structures with high connectivity and robustness are preferable. For enhancing the connectivity and robustness of graphs, two operations, adding edges and anchoring nodes, have been extensively studied. However, merging nodes, which is a realistic operation in many scenarios (e.g., bus station reorganization, multiple team formation), has been overlooked. In this work, we study the problem of improving graph cohesiveness by merging nodes. First, we formulate the problem mathematically using the size of the $k$-truss, for a given $k$, as the objective. Then, we prove the NP-hardness and non-modularity of the problem. After that, we develop BATMAN, a fast and effective algorithm for choosing sets of nodes to be merged, based on our theoretical findings and empirical observations. Lastly, we demonstrate the superiority of BATMAN over several baselines, in terms of speed and effectiveness, through extensive experiments on fourteen real-world graphs.
RankFormer: Listwise Learning-to-Rank Using Listwide Labels
Venue: Conference KDD 2023
Year: 2023

Web applications where users are presented with a limited selection of items have long employed ranking models to put the most relevant results first. Any feedback received from users is typically assumed to reflect a relative judgement on the utility of items, e.g. a user clicking on an item only implies it is better than items not clicked in the same ranked list. Hence, the objectives optimized in Learning-to-Rank (LTR) tend to be pairwise or listwise. Yet, by only viewing feedback as relative, we neglect the user's absolute feedback on the list's overall quality, e.g. when no items in the selection are clicked. We thus reconsider the standard LTR paradigm and argue the benefits of learning from this listwide signal. To this end, we propose the RankFormer as an architecture that, with a Transformer at its core, can jointly optimize a novel listwide assessment objective and a traditional listwise LTR objective. We simulate implicit feedback on public datasets and observe that the RankFormer succeeds in benefitting from listwide signals. Additionally, we conduct experiments in e-commerce on Amazon Search data and find the RankFormer to be superior to all baselines offline. An online experiment shows that knowledge distillation can be used to find immediate practical use for the RankFormer.
Capturing Conversion Rate Fluctuation during Sales Promotions: A Novel Historical Data Reuse Approach
Venue: Conference KDD 2023
Year: 2023

Conversion rate (CVR) prediction is one of the core components in online recommender systems, and various approaches have been proposed to obtain accurate and well-calibrated CVR estimation. However, we observe that a well-trained CVR prediction model often performs sub-optimally during sales promotions. This can be largely ascribed to the problem of the data distribution shift, in which the conventional methods no longer work. To this end, we seek to develop alternative modeling techniques for CVR prediction. Observing similar purchase patterns across different promotions, we propose reusing the historical promotion data to capture the promotional conversion patterns. Herein, we propose a novel \textbf{H}istorical \textbf{D}ata \textbf{R}euse (\textbf{HDR}) approach that first retrieves historically similar promotion data and then fine-tunes the CVR prediction model with the acquired data for better adaptation to the promotion mode. HDR consists of three components: an automated data retrieval module that seeks similar data from historical promotions, a distribution shift correction module that re-weights the retrieved data for better aligning with the target promotion, and a TransBlock module that quickly fine-tunes the original model for better adaptation to the promotion mode. Experiments conducted with real-world data demonstrate the effectiveness of HDR, as it improves both ranking and calibration metrics to a large extent. HDR has also been deployed on the display advertising system in Alibaba, bringing a lift of $9\%$ RPM and $16\%$ CVR during Double 11 Sales in 2022.
TWIN: TWo-stage Interest Network for Lifelong User Behavior Modeling in CTR Prediction at Kuaishou
Venue: Conference KDD 2023
Year: 2023

Life-long user behavior modeling, i.e., extracting a user's hidden interests from rich historical behaviors in months or even years, plays a central role in modern CTR prediction systems. Conventional algorithms mostly follow two cascading stages: a simple General Search Unit (GSU) for fast and coarse search over tens of thousands of long-term behaviors and an Exact Search Unit (ESU) for effective Target Attention (TA) over the small number of finalists from GSU. Although efficient, existing algorithms mostly suffer from a crucial limitation: the \textit{inconsistent} target-behavior relevance metrics between GSU and ESU. As a result, their GSU usually misses highly relevant behaviors but retrieves ones considered irrelevant by ESU. In such case, the TA in ESU, no matter how attention is allocated, mostly deviates from the real user interests and thus degrades the overall CTR prediction accuracy. To address such inconsistency, we propose \textbf{TWo-stage Interest Network (TWIN)}, where our Consistency-Preserved GSU (CP-GSU) adopts the identical target-behavior relevance metric as the TA in ESU, making the two stages twins. Specifically, to break TA's computational bottleneck and extend it from ESU to GSU, or namely from behavior length $10^2$ to length $10^4-10^5$, we build a novel attention mechanism by behavior feature splitting. For the video inherent features of a behavior, we calculate their linear projection by efficient pre-computing \& caching strategies. And for the user-item cross features, we compress each into a one-dimentional bias term in the attention score calculation to save the computational cost. The consistency between two stages, together with the effective TA-based relevance metric in CP-GSU, contributes to significant performance gain in CTR prediction.