Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent contrastive learning approaches, primarily rely on structural data while overlooking protein sequences, which are more accessible and can enhance generalizability. However, directly integrating protein sequences poses challenges due to the redundancy and noise in large-scale protein-ligand datasets. To address these limitations, we propose S²Drug, a two-stage framework that explicitly incorporates protein Sequence information and 3D Structure context in protein-ligand contrastive representation learning. In the first stage, we perform protein sequence pretraining on ChemBL using an ESM2-based backbone, combined with a tailored data sampling strategy to reduce redundancy and noise on both protein and ligand sides. In the second stage, we fine-tune on PDBBind by fusing sequence and structure information through a residue-level gating module, while introducing an auxiliary binding site prediction task. This auxiliary task guides the model to accurately localize binding residues within the protein sequence and capture their 3D spatial arrangement, thereby refining protein-ligand matching. Across multiple benchmarks, S²Drug consistently improves virtual screening performance and achieves strong results on binding site prediction, demonstrating the value of bridging sequence and structure in contrastive learning.

Protein-ligand binding prediction is central to virtual screening and affinity ranking, two fundamental tasks in drug discovery. While recent retrieval-based methods embed ligands and protein pockets into Euclidean space for similarity-based search, the geometry of Euclidean embeddings often fails to capture the hierarchical structure and fine-grained affinity variations intrinsic to molecular interactions. In this work, we propose HypSeek, a hyperbolic representation learning framework that embeds ligands, protein pockets, and sequences into Lorentz-model hyperbolic space. By leveraging the exponential geometry and negative curvature of hyperbolic space, HypSeek enables expressive, affinity-sensitive embeddings that can effectively model both global activity and subtle functional differences–particularly in challenging cases such as activity cliffs, where structurally similar ligands exhibit large affinity gaps. Our model unifies virtual screening and affinity ranking in a single framework, introducing a protein-guided three-tower architecture to enhance representational structure. HypSeek improves early enrichment in virtual screening on DUD-E from 42.63 to 51.44 (+20.7%) and affinity ranking correlation on JACS from 0.5774 to 0.7239 (+25.4%), demonstrating the benefits of hyperbolic geometry across both tasks and highlighting its potential as a powerful inductive bias for protein-ligand modeling.

Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can learn meaningful data representations that enhance predictive tasks, we explore the potential for developing a unified generative model in the molecular domain that effectively addresses both molecular generation and property prediction tasks. However, the integration of these tasks is challenging due to inherent inconsistencies, making simple multi-task learning ineffective. To address this, we propose UniGEM, the first unified model to successfully integrate molecular generation and property prediction, delivering superior performance in both tasks. Our key innovation lies in a novel two-phase generative process, where predictive tasks are activated in the later stages, after the molecular scaffold is formed. We further enhance task balance through innovative training strategies. Rigorous theoretical analysis and comprehensive experiments demonstrate our significant improvements in both tasks. The principles behind UniGEM hold promise for broader applications, including natural language processing and computer vision.

Recent advances in structure-based drug design (SBDD) have produced surprising results, with models often generating molecules that achieve better Vina docking scores than actual ligands. However, these results are frequently overly optimistic due to the limitations of docking score accuracy and the challenges of wet-lab validation. While generated molecules may demonstrate high QED (drug-likeness) and SA (synthetic accessibility) scores, they often lack true drug-like properties or synthesizability. To address these limitations, we propose a model-level evaluation framework that emphasizes practical metrics aligned with real-world applications. Inspired by recent findings on the utility of generated molecules in ligand-based virtual screening, our framework evaluates SBDD models by their ability to produce molecules that effectively retrieve active compounds from chemical libraries via similarity-based searches. This approach provides a direct indication of therapeutic potential, bridging the gap between theoretical performance and real-world utility. Our experiments reveal that while SBDD models may excel in theoretical metrics like Vina scores, they often fall short in these practical metrics. By introducing this new evaluation strategy, we aim to enhance the relevance and impact of SBDD models for pharmaceutical research and development.

Small molecules are vital to modern medicine, and accurately predicting their bioactivity against protein targets is crucial for therapeutic discovery and development. However, current machine learning models often rely on spurious features, leading to biased outcomes. Notably, a simple pocket-only baseline can achieve results comparable to, and sometimes better than, more complex models that incorporate both the protein pockets and the small molecules. Our analysis reveals that this phenomenon arises from insufficient training data and an improper evaluation process, which is typically conducted at the pocket level rather than the small molecule level. To address these issues, we redefine the bioactivity prediction task by introducing the SIU dataset-a million-scale Structural small molecule-protein Interaction dataset for Unbiased bioactivity prediction task, which is 50 times larger than the widely used PDBbind. The bioactivity labels in SIU are derived from wet experiments and organized by label types, ensuring greater accuracy and comparability. The complexes in SIU are constructed using a majority vote from three commonly used docking software programs, enhancing their reliability. Additionally, the structure of SIU allows for multiple small molecules to be associated with each protein pocket, enabling the redefinition of evaluation metrics like Pearson and Spearman correlations across different small molecules targeting the same protein pocket. Experimental results demonstrate that this new task provides a more challenging and meaningful benchmark for training and evaluating bioactivity prediction models, ultimately offering a more robust assessment of model performance.

Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches address this through supervised tasks like molecule inpainting or property-guided optimization. In this work, we propose a flexible zero-shot molecule manipulation method by navigating in a shared latent space of 3D molecules. We introduce a Variational AutoEncoder (VAE) for 3D molecules, named MolFLAE, which learns a fixed-dimensional, E(3)-equivariant latent space independent of atom counts. MolFLAE encodes 3D molecules using an E(3)-equivariant neural network into fixed number of latent nodes, distinguished by learned embeddings. The latent space is regularized, and molecular structures are reconstructed via a Bayesian Flow Network (BFN) conditioned on the encoder’s latent output. MolFLAE achieves competitive performance on standard unconditional 3D molecule generation benchmarks. Moreover, the latent space of MolFLAE enables zero-shot molecule manipulation, including atom number editing, structure reconstruction, and coordinated latent interpolation for both structure and properties. We further demonstrate our approach on a drug optimization task for the human glucocorticoid receptor, generating molecules with improved hydrophilicity while preserving key interactions, under computational evaluations. These results highlight the flexibility, robustness, and real-world utility of our method, opening new avenues for molecule editing and optimization.

Flexible docking, which predicts the binding conformations of both proteins and small molecules by modeling their structural flexibility, plays a vital role in structure-based drug design. Although recent generative approaches, particularly diffusion-based models, have shown promising results, they require iterative sampling to generate candidate structures and depend on separate scoring functions for pose selection. This leads to an inefficient pipeline that is difficult to scale in real-world drug discovery workflows. To overcome these challenges, we introduce FIGRDock, a fast and accurate flexible docking framework that understands complicated interactions between molecules and proteins with a regression-based approach. FIGRDock leverages initial docking poses from conventional tools to distill interaction-aware distance patterns, which serve as explicit structural conditions to directly guide the prediction of the final protein-ligand complex via a regression model. This one-shot inference paradigm enables rapid and precise pose prediction without reliance on multi-step sampling or external scoring stages. Experimental results show that FIGRDock achieves up to 100× faster inference than diffusion-based docking methods, while consistently surpassing them in accuracy across standard benchmarks. These results suggest that FIGRDock has the potential to offer a scalable and efficient solution for flexible docking, advancing the pace of structure-based drug discovery.

Structure-guided molecular generation is pivotal in early-stage drug discovery, enabling the design of compounds tailored to specific protein targets. However, despite recent advances in 3D generative modeling, particularly in improving docking scores, these methods often produce rare and intrinsically irrational molecular structures that deviate from drug-like chemical space. To quantify this issue, we propose a novel metric, the Molecule Reasonable Ratio (MRR), which measures structural rationality and reveals a critical gap between existing models and real-world approved drugs. To address this, we introduce the Collaborative Intelligence Drug Design (CIDD) framework, the first approach to unify the 3D interaction modeling capabilities of generative models with the general knowledge and reasoning power of large language models (LLMs). By leveraging LLM-based Chain-of-Thought reasoning, CIDD generates molecules that not only bind effectively to protein pockets but also exhibit strong structural drug-likeness, rationality, and synthetic accessibility. On the CrossDocked2020 benchmark, CIDD consistently improves drug-likeness metrics, including QED, SA, and MRR, across different base generative models, while maintaining competitive binding affinity. Notably, it raises the combined success rate (balancing drug-likeness and binding) from 15.72% to 34.59%, more than doubling previous results. These findings demonstrate the value of integrating knowledge reasoning with geometric generation to advance AI-driven drug design.

Diffusion-based models have shown great promise in molecular generation but often require a large number of sampling steps to generate valid samples. In this paper, we introduce a novel Straight-Line Diffusion Model (SLDM) to tackle this problem, by formulating the diffusion process to follow a linear trajectory. The proposed process aligns well with the noise sensitivity characteristic of molecular structures and uniformly distributes reconstruction effort across the generative process, thus enhancing learning efficiency and efficacy. Consequently, SLDM achieves state-of-the-art performance on 3D molecule generation benchmarks, delivering a 100-fold improvement in sampling efficiency.

Cyclic peptides exhibit better binding affinity and proteolytic stability compared to their linear counterparts. However, the development of cyclic peptide design models is hindered by the scarcity of data. To address this, we introduce **CPSea**(**C**yclic **P**eptide **Sea**), a dataset of 2.71 million cyclic peptide-receptor complexes, curated through systematic mining of the AlphaFold Database (AFDB). Our pipeline extracts compact domains from AFDB, identifies cyclization sites using the $\beta$-carbon (C$_\beta$) distance thresholds, and applies multi-stage filtering to ensure structure fidelity and binding compatibility. Compared with experimental data of cyclic peptides, CPSea shows similar distributions in metrics on structure fidelity and wet-lab compatibility. To our knowledge, CPSea is the largest cyclic peptide-receptor dataset to date, enabling end-to-end model training for the first time. The dataset also showcases the feasibility of simulating inter-chain interactions using intra-chain interactions, expanding available resources for machine-learning models on protein-protein interactions. The dataset and relevant scripts are accessible on GitHub ([https://github.com/YZY010418/CPSea](https://github.com/YZY010418/CPSea)).

Virtual screening (VS) is a critical component of modern drug discovery, yet most existing methods—whether physics-based or deep learning-based—are developed around *holo* protein structures with known ligand-bound pockets. Consequently, their performance degrades significantly on *apo* or predicted structures such as those from AlphaFold2, which are more representative of real-world early-stage drug discovery, where pocket information is often missing. In this paper, we introduce an alignment-and-aggregation framework to enable accurate virtual screening under structural uncertainty. Our method comprises two core components: (1) a tri-modal contrastive learning module that aligns representations of the ligand, the *holo* pocket, and cavities detected from structures, thereby enhancing robustness to pocket localization error; and (2) a cross-attention based adapter for dynamically aggregating candidate binding sites, enabling the model to learn from activity data even without precise pocket annotations. We evaluated our method on a newly curated benchmark of *apo* structures, where it significantly outperforms state-of-the-art methods in blind apo setting, improving the early enrichment factor (EF1\%) from 11.75 to 37.19. Notably, it also maintains strong performance on *holo* structures. These results demonstrate the promise of our approach in advancing first-in-class drug discovery, particularly in scenarios lacking experimentally resolved protein-ligand complexes. Our implementation is publicly available at [https://github.com/Wiley-Z/AANet](https://github.com/Wiley-Z/AANet).

The binding between proteins and ligands plays a crucial role in the realm of drug discovery. Previous deep learning approaches have shown promising results over traditional computationally intensive methods, but resulting in poor generalization due to limited supervised data. In this paper, we propose to learn protein-ligand binding representation in a self-supervised learning manner. Different from existing pre-training approaches which treat proteins and ligands individually, we emphasize to discern the intricate binding patterns from fine-grained interactions. Specifically, this self-supervised learning problem is formulated as a prediction of the conclusive binding complex structure given a pocket and ligand with a Transformer based interaction module, which naturally emulates the binding process. To ensure the representation of rich binding information, we introduce two pre-training tasks, i.e. atomic pairwise distance map prediction and mask ligand reconstruction, which comprehensively model the fine-grained interactions from both structure and feature space. Extensive experiments have demonstrated the superiority of our method across various binding tasks, including protein-ligand affinity prediction, virtual screening and protein-ligand docking.

Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have demonstrated promising results, they usually treat pockets independent of ligands, neglecting the fundamental interactions between them. However, the limited pocket-ligand complex structures available in the PDB database (less than 100 thousand non-redundant pairs) hampers large-scale pretraining endeavors for interaction modeling. To address this constraint, we propose a novel pocket pretraining approach that leverages knowledge from high-resolution atomic protein structures, assisted by highly effective pretrained small molecule representations. By segmenting protein structures into drug-like fragments and their corresponding pockets, we obtain a reasonable simulation of ligand-receptor interactions, resulting in the generation of over 5 million complexes. Subsequently, the pocket encoder is trained in a contrastive manner to align with the representation of pseudo-ligand furnished by some pretrained small molecule encoders. Our method, named ProFSA, achieves state-of-the-art performance across various tasks, including pocket druggability prediction, pocket matching, and ligand binding affinity prediction. Notably, ProFSA surpasses other pretraining methods by a substantial margin. Moreover, our work opens up a new avenue for mitigating the scarcity of protein-ligand complex data through the utilization of high-quality and diverse protein structure databases.

While molecular pre-training has shown great potential in enhancing drug discovery, the lack of a solid physical interpretation in current methods raises concerns about whether the learned representation truly captures the underlying explanatory factors in observed data, ultimately resulting in limited generalization and robustness. Although denoising methods offer a physical interpretation, their accuracy is often compromised by ad-hoc noise design, leading to inaccurate learned force fields. To address this limitation, this paper proposes a new method for molecular pre-training, called sliced denoising (SliDe), which is based on the classical mechanical intramolecular potential theory. SliDe utilizes a novel noise strategy that perturbs bond lengths, angles, and torsion angles to achieve better sampling over conformations. Additionally, it introduces a random slicing approach that circumvents the computationally expensive calculation of the Jacobian matrix, which is otherwise essential for estimating the force field. By aligning with physical principles, SliDe shows a 42\% improvement in the accuracy of estimated force fields compared to current state-of-the-art denoising methods, and thus outperforms traditional baselines on various molecular property prediction tasks.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Recently, a noticeable trend has emerged in developing pre-trained foundation models in the domains of CV and NLP. However, for molecular pre-training, there lacks a universal model capable of effectively applying to various categories of molecular tasks, since existing prevalent pre-training methods exhibit effectiveness for specific types of downstream tasks. Furthermore, the lack of profound understanding of existing pre-training methods, including 2D graph masking, 2D-3D contrastive learning, and 3D denoising, hampers the advancement of molecular foundation models. In this work, we provide a unified comprehension of existing pre-training methods through the lens of contrastive learning. Thus their distinctions lie in clustering different views of molecules, which is shown beneficial to specific downstream tasks. To achieve a complete and general-purpose molecular representation, we propose a novel pre-training framework, named UniCorn, that inherits the merits of the three methods, depicting molecular views in three different levels. SOTA performance across quantum, physicochemical, and biological tasks, along with comprehensive ablation study, validate the universality and effectiveness of UniCorn.

In the field of Structure-based Drug Design (SBDD), deep learning-based generative models have achieved outstanding performance in terms of docking score. However, further study shows that the existing molecular generative methods and docking scores both have lacked consideration in terms of specificity, which means that generated molecules bind to almost every protein pocket with high affinity. To address this, we introduce the Delta Score, a new metric for evaluating the specificity of molecular binding. To further incorporate this insight for generation, we develop an innovative energy-guided approach using contrastive learning, with active compounds as decoys, to direct generative models toward creating molecules with high specificity. Our empirical results show that this method not only enhances the delta score but also maintains or improves traditional docking scores, successfully bridging the gap between SBDD and real-world needs.

OBJECTIVES: To provide balanced consideration of the opportunities and challenges associated with integrating Large Language Models (LLMs) throughout the medical school continuum. PROCESS: Narrative review of published literature contextualized by current reports of LLM application in medical education. CONCLUSIONS: LLMs like OpenAI's ChatGPT can potentially revolutionize traditional teaching methodologies. LLMs offer several potential advantages to students, including direct access to vast information, facilitation of personalized learning experiences, and enhancement of clinical skills development. For faculty and instructors, LLMs can facilitate innovative approaches to teaching complex medical concepts and fostering student engagement. Notable challenges of LLMs integration include the risk of fostering academic misconduct, inadvertent overreliance on AI, potential dilution of critical thinking skills, concerns regarding the accuracy and reliability of LLM-generated content, and the possible implications on teaching staff.

In the multi-turn dialogue reasoning task, existing models conduct word-level interaction on the entire context to gather reasoning evidence, which aims to select the logically correct one from the candidate response options. Observing the fact that the salient reasoning evidence usually comes from certain snippets of the whole dialogue session, one promising study direction is to explicitly identify the candidate reasoning contexts correlated with the dialogue reasoning options, called option-related contexts, and then make logical inference among them. However, such option-related contexts are stained with noisy information. As a result, existing models may reason unfairly with biased context and select wrong options. To tackle the context bias problem, in this article, we propose a novel CounterFactual learning framework for Dialogue Reasoning, named CF-DialReas, which mitigates the bias information by subtracting the counterfactual representation from the total causal representation. Specifically, we consider two scenarios, i.e., factual dialogue reasoning where the whole context is available to estimate the total causal representation, and the counterfactual dialogue reasoning, which firstly utilizes three different types of utterance selectors to select option-unrelatedcontext, and then only the option-unrelatedcontext is available to guess the counterfactual representation. Experimental results on two public dialogue reasoning datasets show that the model with our mechanism can obtain higher ranking measures, validating the effectiveness of counterfactual learning of CF-DialReas. Further analysis on the generality of CF-DialReas shows that our counterfactual learning mechanism is generally effective to the widely-used models.

Current natural language understanding (NLU) models have been continuously scaling up, both in terms of model size and input context, introducing more hidden and input neurons. While this generally improves performance on average, the extra neurons do not yield a consistent improvement for all instances. This is because some hidden neurons are redundant, and the noise mixed in input neurons tends to distract the model. Previous work mainly focuses on extrinsically reducing low-utility neurons by additional post- or pre-processing, such as network pruning and context selection, to avoid this problem. Beyond that, can we make the model reduce redundant parameters and suppress input noise by intrinsically enhancing the utility of each neuron? If a model can efficiently utilize neurons, no matter which neurons are ablated (disabled), the ablated submodel should perform no better than the original full model. Based on such a comparison principle between models, we propose a cross-model comparative loss for a broad range of tasks. Comparative loss is essentially a ranking loss on top of the task-specific losses of the full and ablated models, with the expectation that the task-specific loss of the full model is minimal. We demonstrate the universal effectiveness of comparative loss through extensive experiments on 14 datasets from three distinct NLU tasks based on five widely used pre-trained language models and find it particularly superior for models with few parameters or long input.

Coordinate denoising is a promising 3D molecular pre-training method, which has achieved remarkable performance in various downstream drug discovery tasks. Theoretically, the objective is equivalent to learning the force field, which is revealed helpful for downstream tasks. Nevertheless, there are two challenges for coordinate denoising to learn an effective force field, i.e. low coverage samples and isotropic force field. The underlying reason is that molecular distributions assumed by existing denoising methods fail to capture the anisotropic characteristic of molecules. To tackle these challenges, we propose a novel hybrid noise strategy, including noises on both dihedral angel and coordinate. However, denoising such hybrid noise in a traditional way is no more equivalent to learning the force field. Through theoretical deductions, we find that the problem is caused by the dependency of the input conformation for covariance. To this end, we propose to decouple the two types of noise and design a novel fractional denoising method (Frad), which only denoises the latter coordinate part. In this way, Frad enjoys both the merits of sampling more low-energy structures and the force field equivalence. Extensive experiments show the effectiveness of Frad in molecule representation, with a new state-of-the-art on 9 out of 12 tasks of QM9 and on 7 out of 8 targets of MD17.

Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate molecules in atom resolution and ignore intrinsic local structures such as rings, which leads to poor quality in generated structures, especially when generating large molecules. Fragment-based molecule generation is a promising strategy, however, it is nontrivial to be adapted for 3D non-autoregressive generations because of the combinational optimization problems. In this paper, we utilize a coarse-to-fine strategy to tackle this problem, in which a Hierarchical Diffusion-based model (i.e. HierDiff) is proposed to preserve the validity of local segments without relying on autoregressive modeling. Specifically, HierDiff first generates coarse-grained molecule geometries via an equivariant diffusion process, where each coarse-grained node reflects a fragment in a molecule. Then the coarse-grained nodes are decoded into fine-grained fragments by a message-passing process and a newly designed iterative refined sampling module. Lastly, the fine-grained fragments are then assembled to derive a complete atomic molecular structure. Extensive experiments demonstrate that HierDiff consistently improves the quality of molecule generation over existing methods.

The generation of 3D molecules requires simultaneously deciding the categorical features (atom types) and continuous features (atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in generating feature-rich geometries. However, existing DMs typically suffer from unstable probability dynamics with inefficient sampling speed. In this paper, we introduce geometric flow matching, which enjoys the advantages of both equivariant modeling and stabilized probability dynamics. More specifically, we propose a hybrid probability path where the coordinates probability path is regularized by an equivariant optimal transport, and the information between different modalities is aligned. Experimentally, the proposed method could consistently achieve better performance on multiple molecule generation benchmarks with 4.75$\times$ speed up of sampling on average.

Most existing visual reasoning tasks, such as CLEVR in VQA, ignore an important factor, i.e., transformation. They are solely defined to test how well machines understand concepts and relations within static settings, like one image. Such state driven visual reasoning has limitations in reflecting the ability to infer the dynamics between different states, which has shown to be equally important for human cognition in Piaget's theory. To tackle this problem, we propose a novel transformation driven visual reasoning (TVR) task. Given both the initial and final states, the target becomes to infer the corresponding intermediate transformation. Following this definition, a new synthetic dataset namely TRANCE is first constructed on the basis of CLEVR, including three levels of settings, i.e., Basic (single-step transformation), Event (multi-step transformation), and View (multi-step transformation with variant views). Next, we build another real dataset called TRANCO based on COIN, to cover the loss of transformation diversity on TRANCE. Inspired by human reasoning, we propose a three-staged reasoning framework called TranNet, including observing, analyzing, and concluding, to test how recent advanced techniques perform on TVR. Experimental results show that the state-of-the-art visual reasoning models perform well on Basic, but are still far from human-level intelligence on Event, View, and TRANCO. We believe the proposed new paradigm will boost the development of machine visual reasoning. More advanced methods and new problems need to be investigated in this direction.

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic relations between molecular properties which can be utilized to improve the performances of corresponding prediction tasks. In this paper, we propose a new approach, namely Physics properties Enhanced Molecular Property prediction (PEMP), to utilize relations between molecular properties revealed by previous physics theory and physical chemistry studies. Specifically, we enhance the training of the chemical and physiological property predictors with related physics property prediction tasks. We design two different methods for PEMP, respectively based on multi-task learning and transfer learning. Both methods include a model-agnostic molecule representation module and a property prediction module. In our implementation, we adopt both the state-of-the-art molecule embedding models under the supervised learning paradigm and the pretraining paradigm as the molecule representation module of PEMP, respectively. Experimental results on public benchmark MoleculeNet show that the proposed methods have the ability to outperform corresponding state-of-the-art models.

Cross-modal retrieval aims to identify relevant information from different modalities, such as image and text. Existing works build a coarse relationship between whole image and whole text. However, the retrieval in fine-grained elements is more necessary in research and has many practical applications, such as explainable and interactive retrieval. In this paper, we propose a region-based cross-modal retrieval task that focuses on finding the semantic match between fine-grained parts of text and image, e.g., sentence in paragraph and region in image. The challenge of this task is to enhance fine-grained representation with contextual knowledge. To this end, we propose a Context-Aware Region Retrieval (CARR) model. It utilizes two pre-trained models as backbones, Faster RCNN for image and BERT for text, and transformer-based encoders to obtain the contextual aware representations of two modalities. We conduct experiments on Visual Genome and Localized Narratives datasets, and the experimental results demonstrate that the proposed model outperforms the baseline methods.

Yue Fang, Hainan Zhang, Hongshen Chen, Zhuoye Ding, Bo Long, Yanyan Lan, Yanquan Zhou. Proceedings of the 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies. 2022.

By inferring latent groups in the training data, recent works introduce invariant learning to the case where environment annotations are unavailable. Typically, learning group invariance under a majority/minority split is empirically shown to be effective in improving out-of-distribution generalization on many datasets. However, theoretical guarantee for these methods on learning invariant mechanisms is lacking. In this paper, we reveal the insufficiency of existing group invariant learning methods in preventing classifiers from depending on spurious correlations in the training set. Specifically, we propose two criteria on judging such sufficiency. Theoretically and empirically, we show that existing methods can violate both criteria and thus fail in generalizing to spurious correlation shifts. Motivated by this, we design a new group invariant learning method, which constructs groups with statistical independence tests, and reweights samples by group label proportion to meet the criteria. Experiments on both synthetic and real data demonstrate that the new method significantly outperforms existing group invariant learning methods in generalizing to spurious correlation shifts.

Pseudo-relevance feedback (PRF) has proven to be an effective query reformulation technique to improve retrieval accuracy. It aims to alleviate the mismatch of linguistic expressions between a query and its potential relevant documents. Existing PRF methods independently treat revised queries originating from the same query but using different numbers of feedback documents, resulting in severe query drift. Without comparing the effects of two different revisions from the same query, a PRF model may incorrectly focus on the additional irrelevant information increased in the more feedback, and thus reformulate a query that is less effective than the revision using the less feedback. Ideally, if a PRF model can distinguish between irrelevant and relevant information in the feedback, the more feedback documents there are, the better the revised query will be. To bridge this gap, we propose the Loss-over-Loss (LoL) framework to compare the reformulation losses between different revisions of the same query during training. Concretely, we revise an original query multiple times in parallel using different amounts of feedback and compute their reformulation losses. Then, we introduce an additional regularization loss on these reformulation losses to penalize revisions that use more feedback but gain larger losses. With such comparative regularization, the PRF model is expected to learn to suppress the extra increased irrelevant information by comparing the effects of different revised queries. Further, we present a differentiable query reformulation method to implement this framework. This method revises queries in the vector space and directly optimizes the retrieval performance of query vectors, applicable for both sparse and dense retrieval models. Empirical evaluation demonstrates the effectiveness and robustness of our method for two typical sparse and dense retrieval models.

Recent text generation models are easy to generate relevant and fluent text for the given text, while lack of causal reasoning ability when we change some parts of the given text. Counterfactual story rewriting is a recently proposed task to test the causal reasoning ability for text generation models, which requires a model to predict the corresponding story ending when the condition is modified to a counterfactual one. Previous works have shown that the traditional sequence-to-sequence model cannot well handle this problem, as it often captures some spurious correlations between the original and counterfactual endings, instead of the causal relations between conditions and endings. To address this issue, we propose a sketch-and-customize generation model guided by the causality implicated in the conditions and endings. In the sketch stage, a skeleton is extracted by removing words which are conflict to the counterfactual condition, from the original ending. In the customize stage, a generation model is used to fill proper words in the skeleton under the guidance of the counterfactual condition. In this way, the obtained counterfactual ending is both relevant to the original ending and consistent with the counterfactual condition. Experimental results show that the proposed model generates much better endings, as compared with the traditional sequence-to-sequence model.

Ranked list truncation is of critical importance in a variety of professional information retrieval applications such as patent search or legal search. The goal is to dynamically determine the number of returned documents according to some user-defined objectives, in order to reach a balance between the overall utility of the results and user efforts. Existing methods formulate this task as a sequential decision problem and take some pre-defined loss as a proxy objective, which suffers from the limitation of local decision and non-direct optimization. In this work, we propose a global decision based truncation model named AttnCut, which directly optimizes user-defined objectives for the ranked list truncation. Specifically, we take the successful transformer architecture to capture the global dependency within the ranked list for truncation decision, and employ the reward augmented maximum likelihood (RAML) for direct optimization. We consider two types of user-defined objectives which are of practical usage. One is the widely adopted metric such as F1 which acts as a balanced objective, and the other is the best F1 under some minimal recall constraint which represents a typical objective in professional search. Empirical results over the Robust04 and MQ2007 datasets demonstrate the effectiveness of our approach as compared with the state-of-the-art baselines.

In product description generation (PDG), the user-cared aspect is critical for the recommendation system, which can not only improve user's experiences but also obtain more clicks. High-quality customer reviews can be considered as an ideal source to mine user-cared aspects. However, in reality, a large number of new products (known as long-tailed commodities) cannot gather sufficient amount of customer reviews, which brings a big challenge in the product description generation task. Existing works tend to generate the product description solely based on item information, i.e., product attributes or title words, which leads to tedious contents and cannot attract customers effectively. To tackle this problem, we propose an adaptive posterior network based on Transformer architecture that can utilize user-cared information from customer reviews. Specifically, we first extend the self-attentive Transformer encoder to encode product titles and attributes. Then, we apply an adaptive posterior distillation module to utilize useful review information, which integrates user-cared aspects to the generation process. Finally, we apply a Transformer-based decoding phase with copy mechanism to automatically generate the product description. Besides, we also collect a large-scare Chinese product description dataset to support our work and further research in this field. Experimental results show that our model is superior to traditional generative models in both automatic indicators and human evaluation.

Neural text matching models have been widely used in community question answering, information retrieval, and dialogue. However, these models designed for short texts cannot well address the long-form text matching problem, because there are many contexts in long-form texts can not be directly aligned with each other, and it is difficult for existing models to capture the key matching signals from such noisy data. Besides, these models are computationally expensive for simply use all textual data indiscriminately. To tackle the effectiveness and efficiency problem, we propose a novel hierarchical noise filtering model, namely Match-Ignition. The main idea is to plug the well-known PageRank algorithm into the Transformer, to identify and filter both sentence and word level noisy information in the matching process. Noisy sentences are usually easy to detect because previous work has shown that their similarity can be explicitly evaluated by the word overlapping, so we directly use PageRank to filter such information based on a sentence similarity graph. Unlike sentences, words rely on their contexts to express concrete meanings, so we propose to jointly learn the filtering and matching process, to well capture the critical word-level matching signals. Specifically, a word graph is first built based on the attention scores in each self-attention block of Transformer, and key words are then selected by applying PageRank on this graph. In this way, noisy words will be filtered out layer by layer in the matching process. Experimental results show that Match-Ignition outperforms both SOTA short text matching models and recent long-form text matching models. We also conduct detailed analysis to show that Match-Ignition efficiently captures important sentences and words, to facilitate the long-form text matching process.

This paper defines a new visual reasoning paradigm by introducing an important factor, i.e. transformation. The motivation comes from the fact that most existing visual reasoning tasks, such as CLEVR in VQA, are solely defined to test how well the machine understands the concepts and relations within static settings, like one image. We argue that this kind of state driven visual reasoning approach has limitations in reflecting whether the machine has the ability to infer the dynamics between different states, which has been shown as important as state-level reasoning for human cognition in Piaget’s theory. To tackle this problem, we propose a novel transformation driven visual reasoning task. Given both the initial and final states, the target is to infer the corresponding single-step or multi-step transformation, represented as a triplet (object, attribute, value) or a sequence of triplets, respectively. Following this definition, a new dataset namely TRANCE is constructed on the basis of CLEVR, including three levels of settings, i.e. Basic (single-step transformation), Event (multi-step transformation), and View (multi-step transformation with variant views). Experimental results show that the state-of-the-art visual reasoning models perform well on Basic, but are still far from human-level intelligence on Event and View. We believe the proposed new paradigm will boost the development of machine visual reasoning. More advanced methods and real data need to be investigated in this direction. The resource of TVR is available at https://hongxin2019.github.io/TVR.

Unsupervised style transfer models are mainly based on an inductive learning approach, which represents the style as embeddings, decoder parameters, or discriminator parameters and directly applies these general rules to the test cases.However, the lacking of parallel corpus hinders the ability of these inductive learning methods on this task.As a result, it is likely to cause severe inconsistent style expressions, like the salad is rude.To tackle this problem, we propose a novel transductive learning approach in this paper, based on a retrieval-based context-aware style representation.Specifically, an attentional encoder-decoder with a retriever framework is utilized.It involves top-K relevant sentences in the target style in the transfer process.In this way, we can learn a context-aware style embedding to alleviate the above inconsistency problem.In this paper, both sparse (BM25) and dense retrieval functions (MIPS) are used, and two objective functions are designed to facilitate joint learning.Experimental results show that our method outperforms several strong baselines.The proposed transductive learning approach is general and effective to the task of unsupervised style transfer, and we will apply it to the other two typical methods in the future.

Although exposure bias has been widely studied in some NLP tasks, it faces its unique challenges in dialogue response generation, the representative one-to-various generation scenario.In real human dialogue, there are many appropriate responses for the same context, not only with different expressions, but also with different topics.Therefore, due to the much bigger gap between various ground-truth responses and the generated synthetic response, exposure bias is more challenging in dialogue generation task.What's more, as MLE encourages the model to only learn the common words among different ground-truth responses, but ignores the interesting and specific parts, exposure bias may further lead to the common response generation problem, such as "I don't know" and "HaHa?"In this paper, we propose a novel adaptive switching mechanism, which learns to automatically transit between ground-truth learning and generated learning regarding the word-level matching score, such as the cosine similarity.Experimental results on both Chinese STC dataset and English Reddit dataset, show that our adaptive method achieves a significant improvement in terms of metric-based evaluation and human evaluation, as compared with the state-of-the-art exposure bias approaches.Further analysis on NMT task also shows that our model can achieve a significant improvement.

Information seeking is an essential step for open-domain question answering to efficiently gather evidence from a large corpus.Recently, iterative approaches have been proven to be effective for complex questions, by recursively retrieving new evidence at each step.However, almost all existing iterative approaches use predefined strategies, either applying the same retrieval function multiple times or fixing the order of different retrieval functions, which cannot fulfill the diverse requirements of various questions.In this paper, we propose a novel adaptive information-seeking strategy for open-domain question answering, namely AISO.Specifically, the whole retrieval and answer process is modeled as a partially observed Markov decision process, where three types of retrieval operations (e.g., BM25, DPR, and hyperlink) and one answer operation are defined as actions.According to the learned policy, AISO could adaptively select a proper retrieval action to seek the missing evidence at each step, based on the collected evidence and the reformulated query, or directly output the answer when the evidence set is sufficient for the question.Experiments on SQuAD Open and HotpotQA fullwiki, which serve as single-hop and multi-hop open-domain QA benchmarks, show that AISO outperforms all baseline methods with predefined strategies in terms of both retrieval and answer evaluations.

Haolan Zhan, Hainan Zhang, Hongshen Chen, Zhuoye Ding, Yongjun Bao, Yanyan Lan. Proceedings of the 2021 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies. 2021.

Ensemble-based debiasing methods have been shown effective in mitigating the reliance of classifiers on specific dataset bias, by exploiting the output of a bias-only model to adjust the learning target. In this paper, we focus on the bias-only model in these ensemble-based methods, which plays an important role but has not gained much attention in the existing literature. Theoretically, we prove that the debiasing performance can be damaged by inaccurate uncertainty estimations of the bias-only model. Empirically, we show that existing bias-only models fall short in producing accurate uncertainty estimations. Motivated by these findings, we propose to conduct calibration on the bias-only model, thus achieving a three-stage ensemble-based debiasing framework, including bias modeling, model calibrating, and debiasing. Experimental results on NLI and fact verification tasks show that our proposed three-stage debiasing framework consistently outperforms the traditional two-stage one in out-of-distribution accuracy.

Community Question Answering (CQA) sites such as Yahoo! Answers and Baidu Knows have emerged as rich knowledge resources for information seekers. However, answers posted to CQA sites often vary a lot in their qualities. User votes from the community may partially reflect the overall quality of the answer, but they are often missing. Hence, automatic selection of "good'' answers becomes a practical research problem that will help us manage the quality of accumulated knowledge. Without loss of generality, a good answer should deliver not only relevant but also trustworthy information that can help resolve the information needs of the posted question, but the latter has received less investigation in the past. In this paper, we propose a novel matching-verification framework for automatic answer selection. The matching component assesses the relevance of a candidate answer to a given question as conventional QA methods. The major enhancement is the verification component, which aims to leverage the wisdom of crowds, e.g., some big information repository, for trustworthiness measurement. Given a question, we take the top retrieved results from the information repository as the supporting evidences to distill the consensus representation. A major challenge is that there is no guarantee that one can always obtain reliable consensus from the wisdom of crowds for a question due to the noisy nature and the limitation of the existing search technology.Therefore, we decompose the trustworthiness measurement into two parts, i.e., a verification score which measures the consistency between a candidate answer and the consensus representation, and a confidence score which measures the reliability of the consensus itself. Empirical studies on three real-world CQA data collections, i.e. YahooQA, QuoraQA and AmazonQA, show that our approach can significantly outperform the state-of-the-art methods on the answer selection task.

Relevance plays a central role in information retrieval (IR), which has received extensive studies starting from the 20th century. The definition and the modeling of relevance has always been critical challenges in both information science and computer science research areas. Along with the debate and exploration on relevance, IR has already become a core task in many real-world applications, such as Web search engines, question answering systems, conversational bots, and so on. While relevance acts as a unified concept in all these retrieval tasks, the inherent definitions are quite different due to the heterogeneity of these tasks. This raises a question to us: Do these different forms of relevance really lead to different modeling focuses? To answer this question, in this work, we conduct an empirical study on relevance modeling in three representative IR tasks, i.e., document retrieval, answer retrieval, and response retrieval. Specifically, we attempt to study the following two questions: 1) Does relevance modeling in these tasks really show differences in terms of natural language understanding (NLU)? We employ 16 linguistic tasks to probe a unified retrieval model over these three retrieval tasks to answer this question. 2) If there do exist differences, how can we leverage the findings to enhance the relevance modeling? We proposed three intervention methods to investigate how to leverage different modeling focuses of relevance to improve these IR tasks. We believe the way we study the problem as well as our findings would be beneficial to the IR community.

How to effectively utilize the dialogue history is a crucial problem in multi-turn dialogue generation. Previous works usually employ various neural network architectures (e.g., recurrent neural networks, attention mechanisms, and hierarchical structures) to model the history. However, a recent empirical study by Sankar et al. has shown that these architectures lack the ability of understanding and modeling the dynamics of the dialogue history. For example, the widely used architectures are insensitive to perturbations of the dialogue history, such as words shuffling, utterances missing, and utterances reordering. To tackle this problem, we propose a Ranking Enhanced Dialogue generation framework in this paper. Despite the traditional representation encoder and response generation modules, an additional ranking module is introduced to model the ranking relation between the former utterance and consecutive utterances. Specifically, the former utterance and consecutive utterances are treated as query and corresponding documents, and both local and global ranking losses are designed in the learning process. In this way, the dynamics in the dialogue history can be explicitly captured. To evaluate our proposed models, we conduct extensive experiments on three public datasets, i.e., bAbI, PersonaChat, and JDC. Experimental results show that our models produce better responses in terms of both quantitative measures and human judgments, as compared with the state-of-the-art dialogue generation models. Furthermore, we give some detailed experimental analysis to show where and how the improvements come from.

Machine reading comprehension (MRC) has become a core component in a variety of natural language processing (NLP) applications such as question answering and dialogue systems. It becomes a practical challenge that an MRC model needs to learn in non-stationary environments, in which the underlying data distribution changes over time. A typical scenario is the domain drift, i.e. different domains of data come one after another, where the MRC model is required to adapt to the new domain while maintaining previously learned ability. To tackle such a challenge, in this work, we introduce the Continual Domain Adaptation (CDA) task for MRC. So far as we know, this is the first study on the continual learning perspective of MRC. We build two benchmark datasets for the CDA task, by re-organizing existing MRC collections into different domains with respect to context type and question type, respectively. We then analyze and observe the catastrophic forgetting (CF) phenomenon of MRC under the CDA setting. To tackle the CDA task, we propose several BERT-based continual learning MRC models using either regularization-based methodology or dynamic-architecture paradigm. We analyze the performance of different continual learning MRC models under the CDA task and show that the proposed dynamic-architecture based model achieves the best performance.

Query understanding is a fundamental problem in information retrieval (IR), which has attracted continuous attention through the past decades. Many different tasks have been proposed for understanding users' search queries, e.g., query classification or query clustering. However, it is not that precise to understand a search query at the intent class/cluster level due to the loss of many detailed information. As we may find in many benchmark datasets, e.g., TREC and SemEval, queries are often associated with a detailed description provided by human annotators which clearly describes its intent to help evaluate the relevance of the documents. If a system could automatically generate a detailed and precise intent description for a search query, like human annotators, that would indicate much better query understanding has been achieved. In this paper, therefore, we propose a novel Query-to-Intent-Description (Q2ID) task for query understanding. Unlike those existing ranking tasks which leverage the query and its description to compute the relevance of documents, Q2ID is a reverse task which aims to generate a natural language intent description based on both relevant and irrelevant documents of a given query. To address this new task, we propose a novel Contrastive Generation model, namely CtrsGen for short, to generate the intent description by contrasting the relevant documents with the irrelevant documents given a query. We demonstrate the effectiveness of our model by comparing with several state-of-the-art generation models on the Q2ID task. We discuss the potential usage of such Q2ID technique through an example application.

The goal of text generation models is to fit the underlying real probability distribution of text. For performance evaluation, quality and diversity metrics are usually applied. However, it is still not clear to what extend can the quality-diversity evaluation reflect the distribution-fitting goal. In this paper, we try to reveal such relation in a theoretical approach. We prove that under certain conditions, a linear combination of quality and diversity constitutes a divergence metric between the generated distribution and the real distribution. We also show that the commonly used BLEU/Self-BLEU metric pair fails to match any divergence metric, thus propose CR/NRR as a substitute for quality/diversity metric pair.

The Transformer is widely used in natural language processing tasks. To train a Transformer however, one usually needs a carefully designed learning rate warm-up stage, which is shown to be crucial to the final performance but will slow down the optimization and bring more hyper-parameter tunings. In this paper, we first study theoretically why the learning rate warm-up stage is essential and show that the location of layer normalization matters. Specifically, we prove with mean field theory that at initialization, for the original-designed Post-LN Transformer, which places the layer normalization between the residual blocks, the expected gradients of the parameters near the output layer are large. Therefore, using a large learning rate on those gradients makes the training unstable. The warm-up stage is practically helpful for avoiding this problem. On the other hand, our theory also shows that if the layer normalization is put inside the residual blocks (recently proposed as Pre-LN Transformer), the gradients are well-behaved at initialization. This motivates us to remove the warm-up stage for the training of Pre-LN Transformers. We show in our experiments that Pre-LN Transformers without the warm-up stage can reach comparable results with baselines while requiring significantly less training time and hyper-parameter tuning on a wide range of applications.

Embedding-based evaluation measures have shown promising improvements on the correlation with human judgments in natural language generation. In these measures, various intrinsic metrics are used in the computation, including generalized precision, recall, F-score and the earth mover's distance. However, the relations between these metrics are unclear, making it difficult to determine which measure to use in real applications. In this paper, we provide an in-depth study on the relations between these metrics. Inspired by the optimal transportation theory, we prove that these metrics correspond to the optimal transport problem with different hard marginal constraints. However, these hard marginal constraints may cause the problem of incomplete and noisy matching in the evaluation process. Therefore we propose a family of new evaluation metrics, namely Lazy Earth Mover's Distances, based on the more general unbalanced optimal transport problem. Experimental results on WMT18 and WMT19 show that our proposed metrics have the ability to produce more consistent evaluation results with human judgements, as compared with existing intrinsic metrics.

Topic drift is a common phenomenon in multi-turn dialogue. Therefore, an ideal dialogue generation models should be able to capture the topic information of each context, detect the relevant context, and produce appropriate responses accordingly. However, existing models usually use word or sentence level similarities to detect the relevant contexts, which fail to well capture the topical level relevance. In this paper, we propose a new model, named STAR-BTM, to tackle this problem. Firstly, the Biterm Topic Model is pre-trained on the whole training dataset. Then, the topic level attention weights are computed based on the topic representation of each context. Finally, the attention weights and the topic distribution are utilized in the decoding process to generate the corresponding responses. Experimental results on both Chinese customer services data and English Ubuntu dialogue data show that STAR-BTM significantly outperforms several state-of-the-art methods, in terms of both metric-based and human evaluations.

In learning-to-rank for information retrieval, a ranking model is automatically learned from the data and then utilized to rank the sets of retrieved documents. Therefore, an ideal ranking model would be a mapping from a document set to a permutation on the set, and should satisfy two critical requirements: (1) it should have the ability to model cross-document interactions so as to capture local context information in a query; (2) it should be permutation-invariant, which means that any permutation of the inputted documents would not change the output ranking. Previous studies on learning-to-rank either design uni-variate scoring functions that score each document separately, and thus failed to model the cross-document interactions; or construct multivariate scoring functions that score documents sequentially, which inevitably sacrifice the permutation invariance requirement. In this paper, we propose a neural learning-to-rank model called SetRank which directly learns a permutation-invariant ranking model defined on document sets of any size. SetRank employs a stack of (induced) multi-head self attention blocks as its key component for learning the embeddings for all of the retrieved documents jointly. The self-attention mechanism not only helps SetRank to capture the local context information from cross-document interactions, but also to learn permutation-equivariant representations for the inputted documents, which therefore achieving a permutation-invariant ranking model. Experimental results on three benchmarks showed that the SetRank significantly outperformed the baselines include the traditional learning-to-rank models and state-of-the-art Neural IR models.

Community Question Answering (CQA) has become a primary means for people to acquire knowledge, where people are free to ask questions or submit answers. To enhance the efficiency of the service, similar question identification becomes a core task in CQA which aims to find a similar question from the archived repository whenever a new question is asked. However, it has long been a challenge to properly measure the similarity between two questions due to the inherent variation of natural language, i.e., there could be different ways to ask a same question or different questions sharing similar expressions. To alleviate this problem, it is natural to involve the existing answers for the enrichment of the archived questions. Traditional methods typically take aone-side usage, which leverages the answer as some expanded representation of the corresponding question. Unfortunately, this may introduce unexpected noises into the similarity computation since answers are often long and diverse, leading to inferior performance. In this work, we propose atwo-side usage, which leverages the answer as a bridge of the two questions. The key idea is based on our observation that similar questions could be addressed by similar parts of the answer while different questions may not. In other words, we can compare the matching patterns of the two questions over the same answer to measure their similarity. In this way, we propose a novel matching over matching model, namely Match2, which compares the matching patterns between two question-answer pairs for similar question identification. Empirical experiments on two benchmark datasets demonstrate that our model can significantly outperform previous state-of-the-art methods on the similar question identification task.

This paper concerns reinforcement learning~(RL) of the document ranking models for information retrieval~(IR). One branch of the RL approaches to ranking formalize the process of ranking with Markov decision process~(MDP) and determine the model parameters with policy gradient. Though preliminary success has been shown, these approaches are still far from achieving their full potentials. Existing policy gradient methods directly utilize the absolute performance scores (returns) of the sampled document lists in its gradient estimations, which may cause two limitations: 1) fail to reflect the relative goodness of documents within the same query, which usually is close to the nature of IR ranking; 2) generate high variance gradient estimations, resulting in slow learning speed and low ranking accuracy. To deal with the issues, we propose a novel policy gradient algorithm in which the gradients are determined using pairwise comparisons of two document lists sampled within the same query. The algorithm, referred to as Pairwise Policy Gradient (PPG), repeatedly samples pairs of document lists, estimates the gradients with pairwise comparisons, and finally updates the model parameters. Theoretical analysis shows that PPG makes an unbiased and low variance gradient estimations. Experimental results have demonstrated performance gains over the state-of-the-art baselines in search result diversification and text retrieval.

Recommendation reason generation, aiming at showing the selling points of products for customers, plays a vital role in attracting customers' attention as well as improving user experience. A simple and effective way is to extract keywords directly from the knowledge-base of products, i.e., attributes or title, as the recommendation reason. However, generating recommendation reason from product knowledge doesn't naturally respond to users' interests. Fortunately, on some E-commerce websites, there exists more and more user-generated content (user-content for short), i.e., product question-answering (QA) discussions, which reflect user-cared aspects. Therefore, in this paper, we consider generating the recommendation reason by taking into account not only the product attributes but also the customer-generated product QA discussions. In reality, adequate user-content is only possible for the most popular commodities, whereas large sums of long-tail products or new products cannot gather a sufficient number of user-content. To tackle this problem, we propose a user-inspired multi-source posterior transformer (MSPT), which induces the model reflecting the users' interests with a posterior multiple QA discussions module, and generating recommendation reasons containing the product attributes as well as the user-cared aspects. Experimental results show that our model is superior to traditional generative models. Additionally, the analysis also shows that our model can focus more on the user-cared aspects than baselines.

The abductive natural language inference task (αNLI) is proposed to evaluate the abductive reasoning ability of a learning system. In the αNLI task, two observations are given and the most plausible hypothesis is asked to pick out from the candidates. Existing methods simply formulate it as a classification problem, thus a cross-entropy log-loss objective is used during training. However, discriminating true from false does not measure the plausibility of a hypothesis, for all the hypotheses have a chance to happen, only the probabilities are different. To fill this gap, we switch to a ranking perspective that sorts the hypotheses in order of their plausibilities. With this new perspective, a novel L2R2 approach is proposed under the learning-to-rank framework. Firstly, training samples are reorganized into a ranking form, where two observations and their hypotheses are treated as the query and a set of candidate documents respectively. Then, an ESIM model or pre-trained language model, e.g. BERT or RoBERTa, is obtained as the scoring function. Finally, the loss functions for the ranking task can be either pair-wise or list-wise for training. The experimental results on the ART dataset reach the state-of-the-art in the public leaderboard.

Reading comprehension (RC) aims to locate a text span from a context passage to answer the given question. Despite the effectiveness of modern neural RC models, most existing work relies on maximum likelihood estimation (MLE) and ignores the structure of the output space. That is during training, one treats all the text spans do not match the ground truth as equally poor, leading to overconfident predictions on ground truth labels and reduced generalization ability in test. One way to bridge the gap between training and test is to take into account the task reward of alternative outputs using the reinforcement learning (RL) algorithms, which is often deficient in optimization as compared with MLE. In this paper, we propose a new learning criterion for the RC task which combines the merits of both MLE and RL-based methods. Specifically, we show that we are able to derive the distribution of the outputs, i.e., label distribution, using their corresponding task rewards based on the decomposition property of the RC problem. We then optimize the RC model by directly learning towards the auxiliary label distribution, instead of the ground truth label, using the MLE framework. In this way, we can make use of the structure of the output space for better generalization (as RL) via efficient optimization (as MLE). We name our approach as Label Distribution augmented MLE (LD-MLE), which is a general learning criterion that could be adopted by almost all the existing RC models. Experiments on three representative benchmark datasets demonstrate that RC models learned with the LD-MLE criterion can achieve consistently improved results over those based on the traditional MLE and RL-based criteria.

The conversation task is usually formulated as a conditional generation problem, i.e., to generate a natural and meaningful response given the input utterance. Generally speaking, this formulation is apparently based on an oversimplified assumption that the response is solely dependent on the input utterance. It ignores the subjective factor of the responder, e.g., his/her emotion or knowledge state, which is a major factor that affects the response in practice. Without explicitly differentiating such subjective factor behind the response, existing generation models can only learn the general shape of conversations, leading to the blandness problem of the response. Moreover, there is no intervention mechanism within the existing generation process, since the response is fully decided by the input utterance. In this work, we propose to view the conversation task as a dual-factor generation problem, including an objective factor denoting the input utterance and a subjective factor denoting the responder state. We extend the existing neural sequence-to-sequence (Seq2Seq) model to accommodate the responder state modeling. We introduce two types of responder state, i.e., discrete and continuous state, to model emotion state and topic preference state, respectively. We show that with our dual-factor generation model, we can not only better fit the conversation data, but also actively control the generation of the response with respect to sentiment or topic specificity.

Machine reading comprehension, whose goal is to find answers from the candidate passages for a given question, has attracted a lot of research efforts in recent years. One of the key challenge in machine reading comprehension is how to identify the main content from a large, redundant, and overlapping set of candidate sentences. In this paper we propose to tackle the challenge with Markov Decision Process in which the main content identification is formalized as sequential decision making and each action corresponds to selecting a sentence. Policy gradient is used to learn the model parameters. Experimental results based on MSMARCO showed that the proposed model, called MC-MDP, can select high quality main contents and significantly improved the performances of answer span prediction.

This paper is concerned with open-domain question answering (i.e., OpenQA). Recently, some works have viewed this problem as a reading comprehension (RC) task, and directly applied successful RC models to it. However, the performances of such models are not so good as that in the RC task. In our opinion, the perspective of RC ignores three characteristics in OpenQA task: 1) many paragraphs without the answer span are included in the data collection; 2) multiple answer spans may exist within one given paragraph; 3) the end position of an answer span is dependent with the start position. In this paper, we first propose a new probabilistic formulation of OpenQA, based on a three-level hierarchical structure, i.e., the question level, the paragraph level and the answer span level. Then a Hierarchical Answer Spans Model (HASQA) is designed to capture each probability. HAS-QA has the ability to tackle the above three problems, and experiments on public OpenQA datasets show that it significantly outperforms traditional RC baselines and recent OpenQA baselines.

In Conversational Question Answering (CoQA), humans propose a series of questions to satisfy their information needs. Based on our preliminary analysis, there are two major types of questions, namely verification questions and knowledgeseeking questions. The first one is to verify some existing facts, while the latter is to obtain new knowledge about some specific object. These two types of questions differ significantly in their answering ways. However, existing methods usually treat them uniformly, which may easily be biased by the dominant type of questions and obtain inferior overall performance. In this work, we propose an adaptive framework to handle these two types of questions in different ways based on their own characteristics. We conduct experiments on the recently released CoQA benchmark dataset, and the results demonstrate that our method outperforms the state-of-the-art baseline methods.

In multi-turn dialogue generation, response is usually related with only a few contexts.Therefore, an ideal model should be able to detect these relevant contexts and produce a suitable response accordingly.However, the widely used hierarchical recurrent encoderdecoder models just treat all the contexts indiscriminately, which may hurt the following response generation process.Some researchers try to use the cosine similarity or the traditional attention mechanism to find the relevant contexts, but they suffer from either insufficient relevance assumption or position bias problem.In this paper, we propose a new model, named ReCoSa, to tackle this problem.Firstly, a word level LSTM encoder is conducted to obtain the initial representation of each context.Then, the self-attention mechanism is utilized to update both the context and masked response representation.Finally, the attention weights between each context and response representations are computed and used in the further decoding process.Experimental results on both Chinese customer services dataset and English Ubuntu dialogue dataset show that ReCoSa significantly outperforms baseline models, in terms of both metric-based and human evaluations.Further analysis on attention shows that the detected relevant contexts by ReCoSa are highly coherent with human's understanding, validating the correctness and interpretability of ReCoSa.

Web question answering (QA) has become an dispensable component in modern search systems, which can significantly improve users' search experience by providing a direct answer to users' information need. This could be achieved by applying machine reading comprehension (MRC) models over the retrieved passages to extract answers with respect to the search query. With the development of deep learning techniques, state-of-the-art MRC performances have been achieved by recent deep methods. However, existing studies on MRC seldom address the predictive uncertainty issue, i.e., how likely the prediction of an MRC model is wrong, leading to uncontrollable risks in real-world Web QA applications. In this work, we first conduct an in-depth investigation over the risk of Web QA. We then introduce a novel risk control framework, which consists of a qualify model for uncertainty estimation using the probe idea, and a decision model for selectively output. For evaluation, we introduce risk-related metrics, rather than the traditional EM and F1 in MRC, for the evaluation of risk-aware Web QA. The empirical results over both the real-world Web QA dataset and the academic MRC benchmark collection demonstrate the effectiveness of our approach.

In this paper, we introduce and tackle the Outline Generation (OG) task, which aims to unveil the inherent content structure of a multi-paragraph document by identifying its potential sections and generating the corresponding section headings. Without loss of generality, the OG task can be viewed as a novel structured summarization task. To generate a sound outline, an ideal OG model should be able to capture three levels of coherence, namely the coherence between context paragraphs, that between a section and its heading, and that between context headings. The first one is the foundation for section identification, while the latter two are critical for consistent heading generation. In this work, we formulate the OG task as a hierarchical structured prediction problem, i.e., to first predict a sequence of section boundaries and then a sequence of section headings accordingly. We propose a novel hierarchical structured neural generation model, named HiStGen, for the task. Our model attempts to capture the three-level coherence via the following ways. First, we introduce a Markov paragraph dependency mechanism between context paragraphs for section identification. Second, we employ a section-aware attention mechanism to ensure the semantic coherence between a section and its heading. Finally, we leverage a Markov heading dependency mechanism and a review mechanism between context headings to improve the consistency and eliminate duplication between section headings. Besides, we build a novel Wriptsize IKI OG dataset, a public collection which consists of over 1.75 million document-outline pairs for research on the OG task. Experimental results on our benchmark dataset demonstrate that our model can significantly outperform several state-of-the-art sequential generation models for the OG task.

Ranking SVM, which formalizes the problem of learning a ranking model as that of learning a binary SVM on preference pairs of documents, is a state-of-the-art ranking model in information retrieval. The dual form solution of a linear Ranking SVM model can be written as a linear combination of the preference pairs, i.e., w = Σ(i,j)αijxi-xj), where αijdenotes the Lagrange parameters associated with each preference pair (i,j). It is observed that there exist obvious interactions among the document pairs because two preference pairs could share a same document as their items, e.g., preference pairs (d1,d2) and (d1,d3) share the document d1. Thus it is natural to ask if there also exist interactions over the model parameters αij, which may be leveraged to construct better ranking models. This paper aims to answer the question. We empirically found that there exists a low-rank structure over the rearranged Ranking SVM model parameters αij, which indicates that the interactions do exist. Based on the discovery, we made modifications on the original Ranking SVM model by explicitly applying low-rank constraints to the Lagrange parameters, achieving two novel algorithms called Factorized Ranking SVM and Regularized Ranking SVM, respectively. Specifically, in Factorized Ranking SVM each parameter αijis decomposed as a product of two low-dimensional vectors, i.e., αij=〈vi,vj〉, where vectors viand vjcorrespond to document i and j, respectively; In Regularized Ranking SVM, a nuclear norm is applied to the rearranged parameters matrix for controlling its rank. Experimental results on three LETOR datasets show that both of the proposed methods can outperform state-of-the-art learning to rank models including the conventional Ranking SVM.

Approximate nearest neighbor search is a fundamental problem and has been studied for a few decades. Recently graph-based indexing methods have demonstrated their great efficiency, whose main idea is to construct neighborhood graph offline and perform a greedy search starting from some sampled points of the graph online. Most existing graph-based methods focus on either the precise k-nearest neighbor (k-NN) graph which has good exploitation ability, or the diverse graph which has good exploration ability. In this paper, we propose the k-diverse nearest neighbor (k-DNN) graph, which balances the precision and diversity of the graph, leading to good exploitation and exploration abilities simultaneously. We introduce an efficient indexing algorithm for the construction of the k-DNN graph inspired by a well-known diverse ranking algorithm in information retrieval (IR). Experimental results show that our method can outperform both state-of-the-art precise graph and diverse graph methods.

Sequence to sequence (Seq2Seq) models have been widely used for response generation in the area of conversation.However, the requirements for different conversation scenarios are distinct.For example, customer service requires the generated responses to be specific and accurate, while chatbot prefers diverse responses so as to attract different users.The current Seq2Seq model fails to meet these diverse requirements, by using a general average likelihood as the optimization criteria.As a result, it usually generates safe and commonplace responses, such as 'I don't know'.In this paper, we propose two tailored optimization criteria for Seq2Seq to different conversation scenarios, i.e., the maximum generated likelihood for specific-requirement scenario, and the conditional value-at-risk for diverse-requirement scenario.Experimental results on the Ubuntu dialogue corpus (Ubuntu service scenario) and Chinese Weibo dataset (social chatbot scenario) show that our proposed models not only satisfies diverse requirements for different scenarios, but also yields better performances against traditional Seq2Seq models in terms of both metric-based and human evaluations.

In conversation, a general response (e.g., "I don't know") could correspond to a large variety of input utterances.Previous generative conversational models usually employ a single model to learn the relationship between different utteranceresponse pairs, thus tend to favor general and trivial responses which appear frequently.To address this problem, we propose a novel controlled response generation mechanism to handle different utterance-response relationships in terms of specificity.Specifically, we introduce an explicit specificity control variable into a sequence-to-sequence model, which interacts with the usage representation of words through a Gaussian Kernel layer, to guide the model to generate responses at different specificity levels.We describe two ways to acquire distant labels for the specificity control variable in learning.Empirical studies show that our model can significantly outperform the state-of-theart response generation models under both automatic and human evaluations.

Hashing techniques for approximate nearest neighbor search (ANNS) encode data points into a set of short binary codes, while trying to preserve the neighborhood structure of the original data as much as possible. With the binary codes, the task of ANNS can be easily conducted over large-scale dataset, due to the high efficiency of pairwise comparison with the Hamming distance. Although binary codes have low computation and storage cost, the data are heavily compressed so that partial neighborhood structure information would be inevitably lost. To address this issue, we propose to introduce the k-nearest neighbors (k-NNs) in the original space into the Hamming space (i.e., associating a binary code with its original k-NNs) to enhance the effectiveness of existing hashing techniques with little overhead. Based on this idea, we develop a novel search scheme for hashing techniques namely neighborhood voting, i.e., each point retrieved by a query code will vote for its neighbors and itself, and the more voted, the better candidates. In this way, search in hashing is not simply the collision between codes (i.e., query code and candidate code), but also the collision between neighbors (i.e., neighbors of candidate points). The underlying assumption is that the true neighbors of a query point should be close to each other, while points with similar binary codes but seldom be the neighbors of other candidate points would be false positives. We introduce a novel data structure called aggregated hash table for implementing our idea and accelerating the online search process. Experimental results show that our search scheme can significantly improve the search effectiveness while having good efficiency over different existing hashing techniques.

In this paper, we introduce and tackle the Question Headline Generation (QHG) task. The motivation comes from the investigation of a real-world news portal where we find that news articles with question headlines often receive much higher click-through ratio than those with non-question headlines. The QHG task can be viewed as a specific form of the Question Generation (QG) task, with the emphasis on creating a natural question from a given news article by taking the entire article as the answer. A good QHG model thus should be able to generate a question by summarizing the essential topics of an article. Based on this idea, we propose a novel dual-attention sequence-to-sequence model (DASeq2Seq) for the QHG task. Unlike traditional sequence-to-sequence models which only employ the attention mechanism in the decoding phase for better generation, our DASeq2Seq further introduces a self-attention mechanism in the encoding phase to help generate a good summary of the article. We investigate two ways of the self-attention mechanism, namely global self-attention and distributed self-attention. Besides, we employ a vocabulary gate over both generic and question vocabularies to better capture the question patterns. Through the offline experiments, we show that our approach can significantly outperform the state-of-the-art question generation or headline generation models. Furthermore, we also conduct online evaluation to demonstrate the effectiveness of our approach using A/B test.

Visual question generation aims at asking questions about an image automatically. Existing research works on this topic usually generate a single question for each given image without considering the issue of diversity. In this paper, we propose a question type driven framework to produce multiple questions for a given image with different focuses. In our framework, each question is constructed following the guidance of a sampled question type in a sequence-to-sequence fashion. To diversify the generated questions, a novel conditional variational auto-encoder is introduced to generate multiple questions with a specific question type. Moreover, we design a strategy to conduct the question type distribution learning for each image to select the final questions. Experimental results on three benchmark datasets show that our framework outperforms the state-of-the-art approaches in terms of both relevance and diversity.

Sequence to sequence (Seq2Seq) approach has gained great attention in the field of single-turn dialogue generation. However, one serious problem is that most existing Seq2Seq based models tend to generate common responses lacking specific meanings. Our analysis show that the underlying reason is that Seq2Seq is equivalent to optimizing Kullback–Leibler (KL) divergence, thus does not penalize the case whose generated probability is high while the true probability is low. However, the true probability is unknown, which poses challenges for tackling this problem. Inspired by the fact that the coherence (i.e. similarity) between post and response is consistent with human evaluation, we hypothesize that the true probability of a response is proportional to the coherence degree. The coherence scores are then used as the reward function in a reinforcement learning framework to penalize the case whose generated probability is high while the true probability is low. Three different types of coherence models, including an unlearned similarity function, a pretrained semantic matching function, and an end-to-end dual learning architecture, are proposed in this paper. Experimental results on both Chinese Weibo dataset and English Subtitle dataset show that the proposed models produce more specific and meaningful responses, yielding better performances against Seq2Seq models in terms of both metric-based and human evaluations.

Assessing relevance between a query and a document is challenging in ad-hoc retrieval due to its diverse patterns, i.e., a document could be relevant to a query as a whole or partially as long as it provides sufficient information for users' need. Such diverse relevance patterns require an ideal retrieval model to be able to assess relevance in the right granularity adaptively. Unfortunately, most existing retrieval models compute relevance at a single granularity, either document-wide or passage-level, or use fixed combination strategy, restricting their ability in capturing diverse relevance patterns. In this work, we propose a data-driven method to allow relevance signals at different granularities to compete with each other for final relevance assessment. Specifically, we propose a HIerarchical Neural maTching model (HiNT) which consists of two stacked components, namely local matching layer and global decision layer. The local matching layer focuses on producing a set of local relevance signals by modeling the semantic matching between a query and each passage of a document. The global decision layer accumulates local signals into different granularities and allows them to compete with each other to decide the final relevance score.Experimental results demonstrate that our HiNT model outperforms existing state-of-the-art retrieval models significantly on benchmark ad-hoc retrieval datasets.

The goal of search result diversification is to select a subset of documents from the candidate set to satisfy as many different subtopics as possible. In general, it is a problem of subset selection and selecting an optimal subset of documents is NP-hard. Existing methods usually formalize the problem as ranking the documents with greedy sequential document selection. At each of the ranking position the document that can provide the largest amount of additional information is selected. It is obvious that the greedy selections inevitably produce suboptimal rankings. In this paper we propose to partially alleviate the problem with a Monte Carlo tree search (MCTS) enhanced Markov decision process (MDP), referred to as M$^2$Div. In M$^2$Div, the construction of diverse ranking is formalized as an MDP process where each action corresponds to selecting a document for one ranking position. Given an MDP state which consists of the query, selected documents, and candidates, a recurrent neural network is utilized to produce the policy function for guiding the document selection and the value function for predicting the whole ranking quality. The produced raw policy and value are then strengthened with MCTS through exploring the possible rankings at the subsequent positions, achieving a better search policy for decision-making. Experimental results based on the TREC benchmarks showed that M$^2$Div can significantly outperform the state-of-the-art baselines based on greedy sequential document selection, indicating the effectiveness of the exploratory decision-making mechanism in M$^2$Div.

Policy gradient, which makes use of Monte Carlo method to get an unbiased estimation of the parameter gradients, has been widely used in reinforcement learning. One key issue in policy gradient is reducing the variance of the estimation. From the viewpoint of statistics, policy gradient with baseline, a successful variance reduction method for policy gradient, directly applies the control variates method, a traditional variance reduction technique used in Monte Carlo, to policy gradient. One problem with control variates method is that the quality of estimation heavily depends on the choice of the control variates. To address the issue and inspired by the antithetic variates method for variance reduction, we propose to combine the antithetic variates method with traditional policy gradient for the multi-armed bandit problem. Furthermore, we achieve a new policy gradient algorithm called Antithetic-Arm Bandit (AAB). In AAB, the gradient is estimated through coordinate ascent where at each iteration gradient of the target arm is estimated through: 1) constructing a sequence of arms which is approximately monotonic in terms of estimated gradients, 2) sampling a pair of antithetic arms over the sequence, and 3) re-estimating the target gradient based on the sampled pair. Theoretical analysis proved that AAB achieved an unbiased and variance reduced estimation. Experimental results based on a multi-armed bandit task showed that AAB can achieve state-of-the-art performances.

Multi-threaded programs play an increasingly important role in current multi-core environments. Exposing concurrency bugs and debugging such multi-threaded programs are quite challenging due to their inherent non-determinism. In order to mitigate such non-determinism, many approaches such as record-and-replay have been proposed. However, those approaches often suffer significant performance degradation because they require a large amount of recorded information and/or long analysis and replay time. In this paper, we propose an efficient and effective approach, ReCBuLC (reproducing concurrency bugs using local clocks), to take advantage of the hardware clocks available on modern processors. The key idea is to reduce the recording overhead and the time to analyze events’ global order by recording timestamps in each thread. These timestamps are used to determine the global order of shared accesses. To avoid the large overhead in accessing system-wide global clock, we opt to use local per-core clocks that incur much less access overhead. We then propose techniques to resolve skews among local clocks and obtain an accurate global event order. By using per-core clocks, state-of-the-art bug reproducing systems such as PRES and CLAP can reduce their recording overheads by up to 85 percent, and the analysis time up to 84.66%$\sim$99.99%, respectively.

In this work, we study the guaranteed delivery model which is widely used in online advertising. In the guaranteed delivery scenario, ad exposures (which are also called impressions in some works) to users are guaranteed by contracts signed in advance between advertisers and publishers. A crucial problem for the advertising platform is how to fully utilize the valuable user traffic to generate as much as possible revenue. Different from previous works which usually minimize the penalty of unsatisfied contracts and some other cost (e.g. representativeness), we propose the novel consumption minimization model, in which the primary objective is to minimize the user traffic consumed to satisfy all contracts. Under this model, we develop a near optimal method to deliver ads for users. The main advantage of our method lies in that it consumes nearly as least as possible user traffic to satisfy all contracts, therefore more contracts can be accepted to produce more revenue. It also enables the publishers to estimate how much user traffic is redundant or short so that they can sell or buy this part of traffic in bulk in the exchange market. Furthermore, it is robust with regard to priori knowledge of user type distribution. Finally, the simulation shows that our method outperforms the traditional state-of-the-art methods.

Convolutional Neural Networks (CNN) and the locally connected layer are limited in capturing the importance and relations of different local receptive fields, which are often crucial for tasks such as face verification, visual question answering, and word sequence prediction. To tackle the issue, we propose a novel locally smoothed neural network (LSNN) in this paper. The main idea is to represent the weight matrix of the locally connected layer as the product of the kernel and the smoother, where the kernel is shared over different local receptive fields, and the smoother is for determining the importance and relations of different local receptive fields. Specifically, a multi-variate Gaussian function is utilized to generate the smoother, for modeling the location relations among different local receptive fields. Furthermore, the content information can also be leveraged by setting the mean and precision of the Gaussian function according to the content. Experiments on some variant of MNIST clearly show our advantages over CNN and locally connected layer.

When applying learning to rank algorithms to Web search, a large number of features are usually designed to capture the relevance signals. Most of these features are computed based on the extracted textual elements, link analysis, and user logs. However, Web pages are not solely linked texts, but have structured layout organizing a large variety of elements in different styles. Such layout itself can convey useful visual information, indicating the relevance of a Web page. For example, the query-independent layout (i.e., raw page layout) can help identify the page quality, while the query-dependent layout (i.e., page rendered with matched query words) can further tell rich structural information (e.g., size, position and proximity) of the matching signals. However, such visual information of layout has been seldom utilized in Web search in the past. In this work, we propose to learn rich visual features automatically from the layout of Web pages (i.e., Web page snapshots) for relevance ranking. Both query-independent and query-dependent snapshots are considered as the new inputs. We then propose a novel visual perception model inspired by human's visual search behaviors on page viewing to extract the visual features. This model can be learned end-to-end together with traditional human-crafted features. We also show that such visual features can be efficiently acquired in the online setting with an extended inverted indexing scheme. Experiments on benchmark collections demonstrate that learning visual features from Web page snapshots can significantly improve the performance of relevance ranking in ad-hoc Web retrieval tasks.

This paper concerns a deep learning approach to relevance ranking in information retrieval (IR). Existing deep IR models such as DSSM and CDSSM directly apply neural networks to generate ranking scores, without explicit understandings of the relevance. According to the human judgement process, a relevance label is generated by the following three steps: 1) relevant locations are detected; 2) local relevances are determined; 3) local relevances are aggregated to output the relevance label. In this paper we propose a new deep learning architecture, namely DeepRank, to simulate the above human judgment process. Firstly, a detection strategy is designed to extract the relevant contexts. Then, a measure network is applied to determine the local relevances by utilizing a convolutional neural network (CNN) or two-dimensional gated recurrent units (2D-GRU). Finally, an aggregation network with sequential integration and term gating mechanism is used to produce a global relevance score. DeepRank well captures important IR characteristics, including exact/semantic matching signals, proximity heuristics, query term importance, and diverse relevance requirement. Experiments on both benchmark LETOR dataset and a large scale clickthrough data show that DeepRank can significantly outperform learning to ranking methods, and existing deep learning methods.

One of the central issues in learning to rank for information retrieval is to develop algorithms that construct ranking models by directly optimizing evaluation measures such as normalized discounted cumulative gain~(ND CG). Existing methods usually focus on optimizing a specific evaluation measure calculated at a fixed position, e.g., NDCG calculated at a fixed position K. In information retrieval the evaluation measures, including the widely used NDCG and [email protected], are usually designed to evaluate the document ranking at all of the ranking positions, which provide much richer information than only measuring the document ranking at a single position. Thus, it is interesting to ask if we can devise an algorithm that has the ability of leveraging the measures calculated at all of the ranking postilions, for learning a better ranking model. In this paper, we propose a novel learning to rank model on the basis of Markov decision process (MDP), referred to as MDPRank. In the learning phase of MDPRank, the construction of a document ranking is considered as a sequential decision making, each corresponds to an action of selecting a document for the corresponding position. The policy gradient algorithm of REINFORCE is adopted to train the model parameters. The evaluation measures calculated at every ranking positions are utilized as the immediate rewards to the corresponding actions, which guide the learning algorithm to adjust the model parameters so that the measure is optimized. Experimental results on LETOR benchmark datasets showed that MDPRank can outperform the state-of-the-art baselines.

In this paper we address the issue of learning diverse ranking models for search result diversification. Typical methods treat the problem of constructing a diverse ranking as a process of sequential document selection. At each ranking position, the document that can provide the largest amount of additional information to the users is selected, because the search users usually browse the documents in a top-down manner. Thus, to select an optimal document for a position, it is critical for a diverse ranking model to capture the utility of information the user have perceived from the preceding documents. Existing methods usually calculate the ranking scores (e.g., the marginal relevance) directly based on the query and the selected documents, with heuristic rules or handcrafted features. The utility the user perceived at each of the ranks, however, is not explicitly modeled. In this paper, we present a novel diverse ranking model on the basis of continuous state Markov decision process (MDP) in which the user perceived utility is modeled as a part of the MDP state. Our model, referred to as MDP-DIV, sequentially takes the actions of selecting one document according to current state, and then updates the state for the chosen of the next action. The transition of the states are modeled in a recurrent manner and the model parameters are learned with policy gradient. Experimental results based on the TREC benchmarks showed that MDP-DIV can significantly outperform the state-of-the-art baselines.

The queries issued to search engines are often ambiguous or multifaceted, which requires search engines to return diverse results that can fulfill as many different information needs as possible; this is called search result diversification . Recently, the relational learning to rank model, which designs a learnable ranking function following the criterion of maximal marginal relevance, has shown effectiveness in search result diversification [Zhu et al. 2014]. The goodness of a diverse ranking model is usually evaluated with diversity evaluation measures such as α-NDCG [Clarke et al. 2008], ERR-IA [Chapelle et al. 2009], and D#-NDCG [Sakai and Song 2011]. Ideally the learning algorithm would train a ranking model that could directly optimize the diversity evaluation measures with respect to the training data. Existing relational learning to rank algorithms, however, only train the ranking models by optimizing loss functions that loosely relate to the evaluation measures. To deal with the problem, we propose a general framework for learning relational ranking models via directly optimizing any diversity evaluation measure . In learning, the loss function upper-bounding the basic loss function defined on a diverse ranking measure is minimized. We can derive new diverse ranking algorithms under the framework, and several diverse ranking algorithms are created based on different upper bounds over the basic loss function. We conducted comparisons between the proposed algorithms with conventional diverse ranking methods using the TREC benchmark datasets. Experimental results show that the algorithms derived under the diverse learning to rank framework always significantly outperform the state-of-the-art baselines.

Matching a question to its best answer is a common task in community question answering. In this paper, we focus on the non-factoid questions and aim to pick out the best answer from its candidate answers. Most of the existing deep models directly measure the similarity between question and answer by their individual sentence embeddings. In order to tackle the problem of the information lack in question's descriptions and the lexical gap between questions and answers, we propose a novel deep architecture namely SPAN in this paper. Specifically we introduce support answers to help understand the question, which are defined as the best answers of those similar questions to the original one. Then we can obtain two kinds of similarities, one is between question and the candidate answer, and the other one is between support answers and the candidate answer. The matching score is finally generated by combining them. Experiments on Yahoo! Answers demonstrate that SPAN can outperform the baseline models.

Matching two texts is a fundamental problem in many natural language processing tasks. An effective way is to extract meaningful matching patterns from words, phrases, and sentences to produce the matching score. Inspired by the success of convolutional neural network in image recognition, where neurons can capture many complicated patterns based on the extracted elementary visual patterns such as oriented edges and corners, we propose to model text matching as the problem of image recognition. Firstly, a matching matrix whose entries represent the similarities between words is constructed and viewed as an image. Then a convolutional neural network is utilized to capture rich matching patterns in a layer-by-layer way. We show that by resembling the compositional hierarchies of patterns in image recognition, our model can successfully identify salient signals such as n-gram and n-term matchings. Experimental results demonstrate its superiority against the baselines.

Distributional hypothesis lies in the root of most existing word representation models by inferring word meaning from its external contexts. However, distributional models cannot handle rare and morphologically complex words very well and fail to identify some fine-grained linguistic regularity as they are ignoring the word forms. On the contrary, morphology points out that words are built from some basic units, i.e., morphemes. Therefore, the meaning and function of such rare words can be inferred from the words sharing the same morphemes, and many syntactic relations can be directly identified based on the word forms. However, the limitation of morphology is that it cannot infer the relationship between two words that do not share any morphemes. Considering the advantages and limitations of both approaches, we propose two novel models to build better word representations by modeling both external contexts and internal morphemes in a jointly predictive way, called BEING and SEING. These two models can also be extended to learn phrase representations according to the distributed morphology theory. We evaluate the proposed models on similarity tasks and analogy tasks. The results demonstrate that the proposed models can outperform state-of-the-art models significantly on both word and phrase representation learning.

Matching natural language sentences is central for many applications such as information retrieval and question answering. Existing deep models rely on a single sentence representation or multiple granularity representations for matching. However, such methods cannot well capture the contextualized local information in the matching process. To tackle this problem, we present a new deep architecture to match two sentences with multiple positional sentence representations. Specifically, each positional sentence representation is a sentence representation at this position, generated by a bidirectional long short term memory (Bi-LSTM). The matching score is finally produced by aggregating interactions between these different positional sentence representations, through k-Max pooling and a multi-layer perceptron. Our model has several advantages: (1) By using Bi-LSTM, rich context of the whole sentence is leveraged to capture the contextualized local information in each positional sentence representation; (2) By matching with multiple positional sentence representations, it is flexible to aggregate different important contextualized local information in a sentence to support the matching; (3) Experiments on different tasks such as question answering and sentence completion demonstrate the superiority of our model.

Search result diversification has attracted considerable attention as a means to tackle the ambiguous or multi-faceted information needs of users. One of the key problems in search result diversification is novelty, that is, how to measure the novelty of a candidate document with respect to other documents. In the heuristic approaches, the predefined document similarity functions are directly utilized for defining the novelty. In the learning approaches, the novelty is characterized based on a set of handcrafted features. Both the similarity functions and the features are difficult to manually design in real world due to the complexity of modeling the document novelty. In this paper, we propose to model the novelty of a document with a neural tensor network. Instead of manually defining the similarity functions or features, the new method automatically learns a nonlinear novelty function based on the preliminary representation of the candidate document and other documents. New diverse learning to rank models can be derived under the relational learning to rank framework. To determine the model parameters, loss functions are constructed and optimized with stochastic gradient descent. Extensive experiments on three public TREC datasets show that the new derived algorithms can significantly outperform the baselines, including the state-of-the-art relational learning to rank models.

Demographic attributes play an important role in retail market to characterize different types of users. Such signals however are often only available for a small fraction of users in practice due to the difficulty in manual collection process by retailers. In this paper, we aim to harness the power of big data to automatically infer users' demographic attributes based on their purchase data. Typically, demographic prediction can be formalized as a multi-task multi-class prediction problem, i.e., multiple demographic attributes (e.g., gender, age and income) are to be inferred for each user where each attribute may belong to one of N possible classes (N-2). Most previous work on this problem explores different types of features and usually predicts different attributes independently. However, modeling the tasks separately may lose the ability to leverage the correlations among different attributes. Meanwhile, manually defined features require professional knowledge and often suffer from under specification. To address these problems, we propose a novel Structured Neural Embedding (SNE) model to automatically learn the representations from users' purchase data for predicting multiple demographic attributes simultaneously. Experiments are conducted on a real-world retail dataset where five attributes (gender, marital status, income, age, and education level) are to be predicted. The empirical results show that our SNE model can improve the performance significantly compared with state-of-the-art baselines.

Bursty topics discovery in microblogs is important for people to grasp essential and valuable information. However, the task is challenging since microblog posts are particularly short and noisy. This work develops a novel probabilistic model, namely Bursty Biterm Topic Model (BBTM), to deal with the task. BBTM extends the Biterm Topic Model (BTM) by incorporating the burstiness of biterms as prior knowledge for bursty topic modeling, which enjoys the following merits: 1) It can well solve the data sparsity problem in topic modeling over short texts as the same as BTM; 2) It can automatical discover high quality bursty topics in microblogs in a principled and efficient way. Extensive experiments on a standard Twitter dataset show that our approach outperforms the state-of-the-art baselines significantly.

Fei Sun, Jiafeng Guo, Yanyan Lan, Jun Xu, Xueqi Cheng. Proceedings of the 53rd Annual Meeting of the Association for Computational Linguistics and the 7th International Joint Conference on Natural Language Processing (Volume 1: Long Papers). 2015.

Ranking SVM, which formalizes the problem of learning a ranking model as that of learning a binary SVM on preference pairs of documents, is a state-of-the-art ranking model in information retrieval. The dual form solution of Ranking SVM model can be written as a linear combination of the preference pairs, i.e., w = ∑(i,j) αij (xi - xj), where αij denotes the Lagrange parameters associated with each pair (i,j). It is obvious that there exist significant interactions over the document pairs because two preference pairs could share a same document as their items. Thus it is natural to ask if there also exist interactions over the model parameters αij, which we may leverage to propose better ranking model. This paper aims to answer the question. Firstly, we found that there exists a low-rank structure over the Ranking SVM model parameters αij, which indicates that the interactions do exist. Then, based on the discovery, we made a modification on the original Ranking SVM model by explicitly applying a low-rank constraint to the parameters. Specifically, each parameter αij is decomposed as a product of two low-dimensional vectors, i.e., αij = vi, vj, where vectors vi and vj correspond to document i and j, respectively. The learning process, thus, becomes to optimize the modified dual form objective function with respect to the low-dimensional vectors. Experimental results on three LETOR datasets show that our method, referred to as Factorized Ranking SVM, can outperform state-of-the-art baselines including the conventional Ranking SVM.

Multi-threaded programs play an increasingly important role in current multi-core environments. Exposing concurrency bugs and debugging such multi-threaded programs have become quite challenging due to their inherent non-determinism. In order to eliminate such non-determinism, many approaches such as record-and-replay and other similar bug reproducing systems have been proposed. However, those approaches often suffer significant performance degradation because they require a large amount of recorded information and/or long analysis and replay time. In this paper, we propose an effective approach, ReCBuLC, to take advantage of the hardware clocks available on modern processors. The key idea is to reduce the recording overhead and analyzing events' global order by using time stamps recorded in each thread. Those timestamps are used to determine the global orders of shared accesses. To avoid the large overhead incurred in accessing system-wide global clock, we opt to use local per-core clocks that incur much less access overhead. We then propose techniques to resolve differences among local clocks and obtain an accurate global event order. By using per-core clocks, state-of-the-art bug reproducing systems such as PRES and CLAP can reduce the recording overheads by 1% ~ 85%, and the analysis time by 84.66% ~ 99.99%, respectively.

Next basket recommendation is a crucial task in market basket analysis. Given a user's purchase history, usually a sequence of transaction data, one attempts to build a recommender that can predict the next few items that the user most probably would like. Ideally, a good recommender should be able to explore the sequential behavior (i.e., buying one item leads to buying another next), as well as account for users' general taste (i.e., what items a user is typically interested in) for recommendation. Moreover, these two factors may interact with each other to influence users' next purchase. To tackle the above problems, in this paper, we introduce a novel recommendation approach, namely hierarchical representation model (HRM). HRM can well capture both sequential behavior and users' general taste by involving transaction and user representations in prediction. Meanwhile, the flexibility of applying different aggregation operations, especially nonlinear operations, on representations allows us to model complicated interactions among different factors. Theoretically, we show that our model subsumes several existing methods when choosing proper aggregation operations. Empirically, we demonstrate that our model can consistently outperform the state-of-the-art baselines under different evaluation metrics on real-world transaction data.

In this paper we address the issue of learning a ranking model for search result diversification. In the task, a model concerns with both query-document relevance and document diversity is automatically created with training data. Ideally a diverse ranking model would be designed to meet the criterion of maximal marginal relevance, for selecting documents that have the least similarity to previously selected documents. Also, an ideal learning algorithm for diverse ranking would train a ranking model that could directly optimize the diversity evaluation measures with respect to the training data. Existing methods, however, either fail to model the marginal relevance, or train ranking models by minimizing loss functions that loosely related to the evaluation measures. To deal with the problem, we propose a novel learning algorithm under the framework of Perceptron, which adopts the ranking model that \emph{maximizes marginal relevance at ranking and can optimize any diversity evaluation measure in training}. The algorithm, referred to as PAMM (Perceptron Algorithm using Measures as Margins), first constructs positive and negative diverse rankings for each training query, and then repeatedly adjusts the model parameters so that the margins between the positive and negative rankings are maximized. Experimental results on three benchmark datasets show that PAMM significantly outperforms the state-of-the-art baseline methods.

Inferring a gold-standard ranking over a set of objects, such as documents or images, is a key task to build test collections for various applications like Web search and recommender systems. Crowdsourcing services provide an efficient and inexpensive way to collect judgments via labeling by sets of annotators. We thus study the problem of finding a consensus ranking from crowdsourced judgments. In contrast to conventional rank aggregation methods which minimize the distance between predicted ranking and input judgments from either pointwise or pairwise perspective, we argue that it is critical to consider the distance in a listwise way to emphasize the position importance in ranking. Therefore, we introduce a new listwise approach in this paper, where ranking measure based objective functions are utilized for optimization. In addition, we also incorporate the annotator quality into our model since the reliability of annotators can vary significantly in crowdsourcing. For optimization, we transform the optimization problem to the Linear Sum Assignment Problem, and then solve it by a very efficient algorithm named CrowdAgg guaranteeing the optimal solution. Experimental results on two benchmark data sets from different crowdsourcing tasks show that our algorithm is much more effective, efficient and robust than traditional methods.

This paper presents a practical paper recommender system, which aims to provide personalized research paper recommendations to users within an online social scholar system. As an online recommender system, there are three basic problems we need to tackle: 1) How to formalize and solve the recommendation problem; 2) How to achieve real time recommendation; and 3) How to interact with users. In our work, we take the personalized paper recommendation as a ranking problem with respect to users' research interests, and employ a supervised learning to rank approach to solve the problem. However, most previous learning to rank methods rely on manually labeled training data which are both expensive and limited in size. We propose automatical training data construction by mining the existing large scale academic network, and extract various heterogeneous features for learning. With the learned model, we conduct real time personalized recommendation based on our novel efficient candidate generation approach. In addition, update recommendation is employed to interact with users according to different types of user feedbacks. Finally, we demonstrate the effectiveness of our system by both offline and online evaluation.

Retail transaction data conveys rich preference information on brands and goods from customers. How to mine the transaction data to provide personalized recommendation to customers becomes a critical task for retailers. Previous recommendation methods either focus on the user-product matrix and ignore the transactions, or only use the partial information of transactions, leading to inferior performance in recommendation. Inspired by association rule mining, we introduce association pattern as a basic unit to capture the correlation between products from both intra- and intertransactions. A Probabilistic model over the Association Patterns (PAP for short) is then employed to learn the potential shopping interests and also to provide personalized recommendations. Experimental results on two real world retail data sets show that our proposed method can outperform the state-of-the-art recommendation methods.

When applying learning to rank algorithms in real search applications, noise in human labeled training data becomes an inevitable problem which will affect the performance of the algorithms. Previous work mainly focused on studying how noise affects ranking algorithms and how to design robust ranking algorithms. In our work, we investigate what inherent characteristics make training data robust to label noise. The motivation of our work comes from an interesting observation that a same ranking algorithm may show very different sensitivities to label noise over different data sets. We thus investigate the underlying reason for this observation based on two typical kinds of learning to rank algorithms (i.e.~pairwise and listwise methods) and three different public data sets (i.e.~OHSUMED, TD2003 and MSLR-WEB10K). We find that when label noise increases in training data, it is the \emph{document pair noise ratio} (i.e.~\emph{pNoise}) rather than \emph{document noise ratio} (i.e.~\emph{dNoise}) that can well explain the performance degradation of a ranking algorithm.

Search result diversification has gained attention as a way to tackle the ambiguous or multi-faceted information needs of users. Most existing methods on this problem utilize a heuristic predefined ranking function, where limited features can be incorporated and extensive tuning is required for different settings. In this paper, we address search result diversification as a learning problem, and introduce a novel relational learning-to-rank approach to formulate the task. However, the definitions of ranking function and loss function for the diversification problem are challenging. In our work, we firstly show that diverse ranking is in general a sequential selection process from both empirical and theoretical aspects. On this basis, we define ranking function as the combination of relevance score and diversity score between the current document and those previously selected, and loss function as the likelihood loss of ground truth based on Plackett-Luce model, which can naturally model the sequential generation of a diverse ranking list. Stochastic gradient descent is then employed to conduct the unconstrained optimization, and the prediction of a diverse ranking list is provided by a sequential selection process based on the learned ranking function. The experimental results on the public TREC datasets demonstrate the effectiveness and robustness of our approach.

Short texts are popular on today's web, especially with the emergence of social media. Inferring topics from large scale short texts becomes a critical but challenging task for many content analysis tasks. Conventional topic models such as latent Dirichlet allocation (LDA) and probabilistic latent semantic analysis (PLSA) learn topics from document-level word co-occurrences by modeling each document as a mixture of topics, whose inference suffers from the sparsity of word co-occurrence patterns in short texts. In this paper, we propose a novel way for short text topic modeling, referred as biterm topic model (BTM). BTM learns topics by directly modeling the generation of word co-occurrence patterns (i.e., biterms) in the corpus, making the inference effective with the rich corpus-level information. To cope with large scale short text data, we further introduce two online algorithms for BTM for efficient topic learning. Experiments on real-word short text collections show that BTM can discover more prominent and coherent topics, and significantly outperform the state-of-the-art baselines. We also demonstrate the appealing performance of the two online BTM algorithms on both time efficiency and topic learning.

Recently,`top-k learning to rank' has attracted much attention in the community of information retrieval. The motivation comes from the difficulty in obtaining a full-order ranking list for training, when employing reliable pairwise preference judgment. Inspired by the observation that users mainly care about top ranked search result, top-k learning to rank proposes to utilize top-k ground-truth for training, where only the total order of top k items are provided, instead of a full-order ranking list. However, it is not clear whether the underlying assumption holds, i.e. top-k ground-truth is sufficient for training. In this paper, we propose to study this problem from both empirical and theoretical aspects. Empirically, our experimental results on benchmark datasets LETOR4.0 show that the test performances of both pairwise and listwise ranking algorithms will quickly increase to a stable value, with the growth of k in the top-k ground-truth. Theoretically, we prove that the losses of these typical ranking algorithms in top-k setting are tighter upper bounds of (1--NDCG@k), compared with that in full-order setting. Therefore, our studies reveal that learning on top-k ground-truth is surely sufficient for ranking, which lay a foundation for the new learning to rank framework.

Topic-focused multi-document summarization aims to produce a summary over a set of documents and conveys the most important aspects of a given topic. Most existing extractive methods view the task as a multi-criteria ranking problem over sentences, where relevance, salience and diversity are three typical requirements. However, diversity is a challenging problem as it involves modeling the relationship between sentences during ranking, where traditional methods usually tackle it in a heuristic or implicit way. In this paper, we propose a novel relational learning-to-rank approach (R-LTR) to solve this problem. Relational learning-to-rank is a new learning framework which further incorporates relationships into traditional learning-to-rank in an elegant way. Specifically, the ranking function is defined as the combination of content-based score of individual sentence, and relation-based score between the current sentence and those already selected. On this basis, we propose to learn the ranking function by minimizing the likelihood loss based on Plackett-Luce model, which can naturally model the sequential ranking procedure of candidate sentences. Stochastic gradient descent is then employed to conduct the learning process, and the summary is predicted by the greedy selection procedure based on the learned ranking function. Finally, we conduct extensive experiments on benchmark data sets TAC2008 and TAC2009. Experimental results show that our approach can significantly outperform the state-of-the-art methods from both quantitative and qualitative aspects.

Recommender system has become an effective tool for information filtering, which usually provides the most useful items to users by a top-k ranking list. Traditional recommendation techniques such as Nearest Neighbors (NN) and Matrix Factorization (MF) have been widely used in real recommender systems. However, neither approaches can well accomplish recommendation task since that: (1) most NN methods leverage the neighbor's behaviors for prediction, which may suffer the severe data sparsity problem; (2) MF methods are less sensitive to sparsity, but neighbors' influences on latent factors are not fully explored, since the latent factors are often used independently. To overcome the above problems, we propose a new framework for recommender systems, called collaborative factorization. It expresses the user as the combination of his own factors and those of the neighbors', called collaborative latent factors, and a ranking loss is then utilized for optimization. The advantage of our approach is that it can both enjoy the merits of NN and MF methods. In this paper, we take the logistic loss in RankNet and the likelihood loss in ListMLE as examples, and the corresponding collaborative factorization methods are called CoF-Net and CoF-MLE. Our experimental results on three benchmark datasets show that they are more effective than several state-of-the-art recommendation methods.

It is well recognized that users rely on social media (e.g. Twitter or Digg) to fulfill two common needs (i.e. social need and informational need) that is to keep in touch with their friends in the real world and to have access to information they are interested in. Traditional friend recommendation methods in social media mainly focus on a user's social need, but seldom address their informational need (i.e. suggesting friends that can provide information one may be interested in but have not been able to obtain so far). In this paper, we propose to recommend friends according to the informational utility, which stands for the degree to which a friend satisfies the target user's unfulfilled informational need, called informational friend recommendation. In order to capture users' informational need, we view a post in social media as an item and utilize collaborative filtering techniques to predict the rating for each post. The candidate friends are then ranked according to their informational utility for recommendation. In addition, we also show how to further consider diversity in such recommendations. Experiments on benchmark datasets demonstrate that our approach can significantly outperform the traditional friend recommendation methods under informational evaluation measures.

Learning low dimensional representations of text corpora is critical in many content analysis and data mining applications. It is even more desired and challenging to learn a sparse representation in practice for large scale text modeling. However, traditional probabilistic topic models (PTM) lack a mechanism to directly control the posterior sparsity of the inferred representations; While the emerged non-probabilistic models (NPM) can explicitly control sparsity using sparse constraint like l_1 norm, they convey different limitations in latent representations. To address the existing problems, we propose a novel non-probabilistic topic model for discovering sparse latent representations of large text corpora, referred as group sparse topical coding (GSTC). Our model enjoys both the merits of the PTMs and NPMs. On one hand, GSTC can naturally derive document-level admixture proportions in topic simplex like PTMs, which is useful for semantic analysis, classification or retrieval. On the other hand, GSTC can directly control the sparsity of the inferred representations with group lasso by relaxing the normalization constraint. Moreover, the relaxed non-probabilistic GSTC can be effectively learned using coordinate descent method. Experimental results on benchmark datasets show that GSTC can discover meaningful compact latent representations of documents, and improve the document classification accuracy and time efficiency.

Uncovering the topics within short texts, such as tweets and instant messages, has become an important task for many content analysis applications. However, directly applying conventional topic models (e.g. LDA and PLSA) on such short texts may not work well. The fundamental reason lies in that conventional topic models implicitly capture the document-level word co-occurrence patterns to reveal topics, and thus suffer from the severe data sparsity in short documents. In this paper, we propose a novel way for modeling topics in short texts, referred as biterm topic model (BTM). Specifically, in BTM we learn the topics by directly modeling the generation of word co-occurrence patterns (i.e. biterms) in the whole corpus. The major advantages of BTM are that 1) BTM explicitly models the word co-occurrence patterns to enhance the topic learning; and 2) BTM uses the aggregated patterns in the whole corpus for learning topics to solve the problem of sparse word co-occurrence patterns at document-level. We carry out extensive experiments on real-world short text collections. The results demonstrate that our approach can discover more prominent and coherent topics, and significantly outperform baseline methods on several evaluation metrics. Furthermore, we find that BTM can outperform LDA even on normal texts, showing the potential generality and wider usage of the new topic model.

This paper is concerned with top-k ranking problem, which reflects the fact that people pay more attention to the top ranked objects in real ranking application like information retrieval. A popular approach to top-k ranking problem is based on probabilistic models, such as Luce model and Mallows model. However, whether the sequential generative process described in these models is a suitable way for top-k ranking remains a question. According to the riffled independence factorization proposed in recent literature, which is a natural structural assumption on top-k ranking, we propose a new generative process of top-k ranking data. Our approach decomposes distributions over the top-k ranking into two layers: the first layer describes the relative ordering between the top k objects and the rest n-k objects, and the second layer describes the full ordering on the top k objects. On this basis, we propose a new probabilistic model for top-k ranking problem, called hierarchical ordering model. Specifically, we use three different probabilistic models to describe different generative processes of the first layer, and Luce model to describe the sequential generative process of the second layer, thus we obtain three different specific hierarchical ordering models. We also conduct extensive experiments on benchmark datasets to show that our proposed models can outperform previous models significantly.

Query recommendation plays a critical role in helping users' search. Most existing approaches on query recommendation aim to recommend relevant queries. However, the ultimate goal of query recommendation is to assist users to reformulate queries so that they can accomplish their search task successfully and quickly. Only considering relevance in query recommendation is apparently not directly toward this goal. In this paper, we argue that it is more important to directly recommend queries with high utility, i.e., queries that can better satisfy users' information needs. For this purpose, we propose a novel generative model, referred to as Query Utility Model (QUM), to capture query utility by simultaneously modeling users' reformulation and click behaviors. The experimental results on a publicly released query log show that, our approach is more effective in helping users find relevant search results and thus satisfying their information needs.

This paper is concerned with the statistical consistency of ranking methods. Recently, it was proven that many commonly used pairwise ranking methods are inconsistent with the weighted pairwise disagreement loss (WPDL), which can be viewed as the true loss of ranking, even in a low-noise setting. This result is interesting but also surprising, given that the pairwise ranking methods have been shown very effective in practice. In this paper, we argue that the aforementioned result might not be conclusive, depending on what kind of assumptions are used. We give a new assumption that the labels of objects to rank lie in a rank-differentiable probability space (RDPS), and prove that the pairwise ranking methods become consistent with WPDL under this assumption. What is especially inspiring is that RDPS is actually not stronger than but similar to the low-noise setting. Our studies provide theoretical justifications of some empirical findings on pairwise ranking methods that are unexplained before, which bridge the gap between theory and applications.

In this paper, we propose a novel top-k learning to rank framework, which involves labeling strategy, ranking model and evaluation measure. The motivation comes from the difficulty in obtaining reliable relevance judgments from human assessors when applying learning to rank in real search systems. The traditional absolute relevance judgment method is difficult in both gradation specification and human assessing, resulting in high level of disagreement on judgments. While the pairwise preference judgment, as a good alternative, is often criticized for increasing the complexity of judgment from O(n) to (n log n). Considering the fact that users mainly care about top ranked search results, we propose a novel top-k labeling strategy which adopts the pairwise preference judgment to generate the top k ordering items from n documents (i.e. top-k ground-truth) in a manner similar to that of HeapSort. As a result, the complexity of judgment is reduced to O(n log k). With the top-k ground-truth, traditional ranking models (e.g. pairwise or listwise models) and evaluation measures (e.g. NDCG) no longer fit the data set. Therefore, we introduce a new ranking model, namely FocusedRank, which fully captures the characteristics of the top-k ground-truth. We also extend the widely used evaluation measures NDCG and ERR to be applicable to the top-k ground-truth, referred as κ-NDCG and κ-ERR, respectively. Finally, we conduct extensive experiments on benchmark data collections to demonstrate the efficiency and effectiveness of our top-k labeling strategy and ranking models.

This paper presents theoretical analysis on the generalization ability of listwise learning-to-rank algorithms using Rademacher Average. The paper first proposes a theoretical framework for ranking and then proves a theorem which gives a gen-eralization bound to a listwise ranking algorithm based on Rademacher Average of the class of compound functions operating on the corresponding listwise loss function and the ranking model. It then derives Rademecher Average of the com-pound function classes for the existing listwise ranking algorithms of ListMLE, ListNet and RankCosine. It also discusses the tightness of generalization bounds in different situations, such as the bounds w.r.t. different list lengths, different transformation functions, and so on. To the best of our knowledge, this is the first paper that formally addresses the theoretical framework and the generalization ability of listwise ranking algorithms. The theoretical findings are useful for the design and parameter tuning of listwise ranking algorithms. 1

Learning to rank has become an important research topic in machine learning. While most learning-to-rank methods learn the ranking function by minimizing the loss functions, it is the ranking measures (such as NDCG and MAP) that are used to evaluate the performance of the learned ranking function. In this work, we reveal the relationship between ranking measures and loss functions in learning-to-rank methods, such as Ranking SVM, RankBoost, RankNet, and ListMLE. We show that these loss functions are upper bounds of the measure-based ranking errors. As a result, the minimization of these loss functions will lead to the maximization of the ranking measures. The key to obtaining this result is to model ranking as a sequence of classification tasks, and define a so-called essential loss as the weighted sum of the classification errors of individual tasks in the sequence. We have proved that the essential loss is both an upper bound of the measure-based ranking errors, and a lower bound of the loss functions in the aforementioned methods. Our proof technique also suggests a way to modify existing loss functions to make them tighter bounds of the measure-based ranking errors. Experimental results on benchmark datasets show that the modifications can lead to better ranking performance, demonstrating the correctness of our analysis.

This paper is concerned with the generalization ability of learning to rank algorithms for information retrieval (IR). We point out that the key for addressing the learning problem is to look at it from the viewpoint of query. We define a number of new concepts, including query-level loss, query-level risk, and query-level stability. We then analyze the generalization ability of learning to rank algorithms by giving query-level generalization bounds to them using query-level stability as a tool. Such an analysis is very helpful for us to derive more advanced algorithms for IR. We apply the proposed theory to the existing algorithms of Ranking SVM and IRSVM. Experimental results on the two algorithms verify the correctness of the theoretical analysis.