Context-aware Reranking with Utility Maximization for Recommendation

As a critical task for large-scale commercial recommender systems, reranking has shown the potential of improving recommendation results by uncovering mutual influence among items. Reranking rearranges items in the initial ranking lists from the previous ranking stage to better meet users' demands. However, rather than considering the context of initial lists as most existing methods do, an ideal reranking algorithm should consider the counterfactual context -- the position and the alignment of the items in the reranked lists. In this work, we propose a novel pairwise reranking framework, Context-aware Reranking with Utility Maximization for recommendation (CRUM), which maximizes the overall utility after reranking efficiently. Specifically, we first design a utility-oriented evaluator, which applies Bi-LSTM and graph attention mechanism to estimate the listwise utility via the counterfactual context modeling. Then, under the guidance of the evaluator, we propose a pairwise reranker model to find the most suitable position for each item by swapping misplaced item pairs. Extensive experiments on two benchmark datasets and a proprietary real-world dataset demonstrate that CRUM significantly outperforms the state-of-the-art models in terms of both relevance-based metrics and utility-based metrics.

Why Propagate Alone? Parallel Use of Labels and Features on Graphs

Graph neural networks (GNNs) and label propagation represent two interrelated modeling strategies designed to exploit graph structure in tasks such as node property prediction. The former is typically based on stacked message-passing layers that share neighborhood information to transform node features into predictive embeddings. In contrast, the latter involves spreading label information to unlabeled nodes via a parameter-free diffusion process, but operates independently of the node features. Given then that the material difference is merely whether features or labels are smoothed across the graph, it is natural to consider combinations of the two for improving performance. In this regard, it has recently been proposed to use a randomly-selected portion of the training labels as GNN inputs, concatenated with the original node features for making predictions on the remaining labels. This so-called label trick accommodates the parallel use of features and labels, and is foundational to many of the top-ranking submissions on the Open Graph Benchmark (OGB) leaderboard. And yet despite its wide-spread adoption, thus far there has been little attempt to carefully unpack exactly what statistical properties the label trick introduces into the training pipeline, intended or otherwise. To this end, we prove that under certain simplifying assumptions, the stochastic label trick can be reduced to an interpretable, deterministic training objective composed of two factors. The first is a data-fitting term that naturally resolves potential label leakage issues, while the second serves as a regularization factor conditioned on graph structure that adapts to graph size and connectivity. Later, we leverage this perspective to motivate a broader range of label trick use cases, and provide experiments to verify the efficacy of these extensions.

Task-wise Split Gradient Boosting Trees for Multi-center Diabetes Prediction

Diabetes prediction is an important data science application in the social healthcare domain. There exist two main challenges in the diabetes prediction task: data heterogeneity since demographic and metabolic data are of different types, data insufficiency since the number of diabetes cases in a single medical center is usually limited. To tackle the above challenges, we employ gradient boosting decision trees (GBDT) to handle data heterogeneity and introduce multi-task learning (MTL) to solve data insufficiency. To this end, Task-wise Split Gradient Boosting Trees (TSGB) is proposed for the multi-center diabetes prediction task. Specifically, we firstly introduce task gain to evaluate each task separately during tree construction, with a theoretical analysis of GBDT's learning objective. Secondly, we reveal a problem when directly applying GBDT in MTL, i.e., the negative task gain problem. Finally, we propose a novel split method for GBDT in MTL based on the task gain statistics, named task-wise split, as an alternative to standard feature-wise split to overcome the mentioned negative task gain problem. Extensive experiments on a large-scale real-world diabetes dataset and a commonly used benchmark dataset demonstrate TSGB achieves superior performance against several state-of-the-art methods. Detailed case studies further support our analysis of negative task gain problems and provide insightful findings. The proposed TSGB method has been deployed as an online diabetes risk assessment software for early diagnosis.

Retrieval & Interaction Machine for Tabular Data Prediction

Prediction over tabular data is an essential task in many data science applications such as recommender systems, online advertising, medical treatment, etc. Tabular data is structured into rows and columns, with each row as a data sample and each column as a feature attribute. Both the columns and rows of the tabular data carry useful patterns that could improve the model prediction performance. However, most existing models focus on the cross-column patterns yet overlook the cross-row patterns as they deal with single samples independently. In this work, we propose a general learning framework named Retrieval & Interaction Machine (RIM) that fully exploits both cross-row and cross-column patterns among tabular data. Specifically, RIM first leverages search engine techniques to efficiently retrieve useful rows of the table to assist the label prediction of the target row, then uses feature interaction networks to capture the cross-column patterns among the target row and the retrieved rows so as to make the final label prediction. We conduct extensive experiments on 11 datasets of three important tasks, i.e., CTR prediction (classification), top-n recommendation (ranking) and rating prediction (regression). Experimental results show that RIM achieves significant improvements over the state-of-the-art and various baselines, demonstrating the superiority and efficacy of RIM.

Learning to Select Cuts for Efficient Mixed-Integer Programming

Cutting plane methods play a significant role in modern solvers for tackling mixed-integer programming (MIP) problems. Proper selection of cuts would remove infeasible solutions in the early stage, thus largely reducing the computational burden without hurting the solution accuracy. However, the major cut selection approaches heavily rely on heuristics, which strongly depend on the specific problem at hand and thus limit their generalization capability. In this paper, we propose a data-driven and generalizable cut selection approach, named Cut Ranking, in the settings of multiple instance learning. To measure the quality of the candidate cuts, a scoring function, which takes the instance-specific cut features as inputs, is trained and applied in cut ranking and selection. In order to evaluate our method, we conduct extensive experiments on both synthetic datasets and real-world datasets. Compared with commonly used heuristics for cut selection, the learning-based policy has shown to be more effective, and is capable of generalizing over multiple problems with different properties. Cut Ranking has been deployed in an industrial solver for large-scale MIPs. In the online A/B testing of the product planning problems with more than $10^7$ variables and constraints daily, Cut Ranking has achieved the average speedup ratio of 12.42% over the production solver without any accuracy loss of solution.

MapGo: Model-Assisted Policy Optimization for Goal-Oriented Tasks

In Goal-oriented Reinforcement learning, relabeling the raw goals in past experience to provide agents with hindsight ability is a major solution to the reward sparsity problem. In this paper, to enhance the diversity of relabeled goals, we develop FGI (Foresight Goal Inference), a new relabeling strategy that relabels the goals by looking into the future with a learned dynamics model. Besides, to improve sample efficiency, we propose to use the dynamics model to generate simulated trajectories for policy training. By integrating these two improvements, we introduce the MapGo framework (Model-Assisted Policy Optimization for Goal-oriented tasks). In our experiments, we first show the effectiveness of the FGI strategy compared with the hindsight one, and then show that the MapGo framework achieves higher sample efficiency when compared to model-free baselines on a set of complicated tasks.

An Adversarial Imitation Click Model for Information Retrieval

Modern information retrieval systems, including web search, ads placement, and recommender systems, typically rely on learning from user feedback. Click models, which study how users interact with a ranked list of items, provide a useful understanding of user feedback for learning ranking models. Constructing "right" dependencies is the key of any successful click model. However, probabilistic graphical models (PGMs) have to rely on manually assigned dependencies, and oversimplify user behaviors. Existing neural network based methods promote PGMs by enhancing the expressive ability and allowing flexible dependencies, but still suffer from exposure bias and inferior estimation. In this paper, we propose a novel framework, Adversarial Imitation Click Model (AICM), based on imitation learning. Firstly, we explicitly learn the reward function that recovers users' intrinsic utility and underlying intentions. Secondly, we model user interactions with a ranked list as a dynamic system instead of one-step click prediction, alleviating the exposure bias problem. Finally, we minimize the JS divergence through adversarial training and learn a stable distribution of click sequences, which makes AICM generalize well across different distributions of ranked lists. A theoretical analysis has indicated that AICM reduces the exposure bias from $O(T^2)$ to $O(T)$. Our studies on a public web search dataset show that AICM not only outperforms state-of-the-art models in traditional click metrics but also achieves superior performance in addressing the exposure bias and recovering the underlying patterns of click sequences.

MARS: Markov Molecular Sampling for Multi-objective Drug Discovery

Searching for novel molecules with desired chemical properties is crucial in drug discovery. Existing work focuses on developing neural models to generate either molecular sequences or chemical graphs. However, it remains a big challenge to find novel and diverse compounds satisfying several properties. In this paper, we propose MARS, a method for multi-objective drug molecule discovery. MARS is based on the idea of generating the chemical candidates by iteratively editing fragments of molecular graphs. To search for high-quality candidates, it employs Markov chain Monte Carlo sampling (MCMC) on molecules with an annealing scheme and an adaptive proposal. To further improve sample efficiency, MARS uses a graph neural network (GNN) to represent and select candidate edits, where the GNN is trained on-the-fly with samples from MCMC. Experiments show that MARS achieves state-of-the-art performance in various multi-objective settings where molecular bio-activity, drug-likeness, and synthesizability are considered. Remarkably, in the most challenging setting where all four objectives are simultaneously optimized, our approach outperforms previous methods significantly in comprehensive evaluations. The code is available at https://github.com/yutxie/mars.

Towards Generalized Implementation of Wasserstein Distance in GANs

Wasserstein GANs (WGANs), built upon the Kantorovich-Rubinstein (KR) duality of Wasserstein distance, is one of the most theoretically sound GAN models. However, in practice it does not always outperform other variants of GANs. This is mostly due to the imperfect implementation of the Lipschitz condition required by the KR duality. Extensive work has been done in the community with different implementations of the Lipschitz constraint, which, however, is still hard to satisfy the restriction perfectly in practice. In this paper, we argue that the strong Lipschitz constraint might be unnecessary for optimization. Instead, we take a step back and try to relax the Lipschitz constraint. Theoretically, we first demonstrate a more general dual form of the Wasserstein distance called the Sobolev duality, which relaxes the Lipschitz constraint but still maintains the favorable gradient property of the Wasserstein distance. Moreover, we show that the KR duality is actually a special case of the Sobolev duality. Based on the relaxed duality, we further propose a generalized WGAN training scheme named Sobolev Wasserstein GAN (SWGAN), and empirically demonstrate the improvement of SWGAN over existing methods with extensive experiments.