Leveraging Multimodal Features and Item-level User Feedback for Bundle Construction

Automatic bundle construction is a crucial prerequisite step in various bundle-aware online services. Previous approaches are mostly designed to model the bundling strategy of existing bundles. However, it is hard to acquire large-scale well-curated bundle dataset, especially for those platforms that have not offered bundle services before. Even for platforms with mature bundle services, there are still many items that are included in few or even zero bundles, which give rise to sparsity and cold-start challenges in the bundle construction models. To tackle these issues, we target at leveraging multimodal features, item-level user feedback signals, and the bundle composition information, to achieve a comprehensive formulation of bundle construction. Nevertheless, such formulation poses two new technical challenges: 1) how to learn effective representations by optimally unifying multiple features, and 2) how to address the problems of modality missing, noise, and sparsity problems induced by the incomplete query bundles. In this work, to address these technical challenges, we propose a Contrastive Learning-enhanced Hierarchical Encoder method (CLHE). Specifically, we use self-attention modules to combine the multimodal and multi-item features, and then leverage both item- and bundle-level contrastive learning to enhance the representation learning, thus to counter the modality missing, noise, and sparsity problems. Extensive experiments on four datasets in two application domains demonstrate that our method outperforms a list of SOTA methods. The code and dataset are available at https://github.com/Xiaohao-Liu/CLHE.

Empowering Collaborative Filtering with Principled Adversarial Contrastive Loss

Contrastive Learning (CL) has achieved impressive performance in self-supervised learning tasks, showing superior generalization ability. Inspired by the success, adopting CL into collaborative filtering (CF) is prevailing in semi-supervised top-K recommendations. The basic idea is to routinely conduct heuristic-based data augmentation and apply contrastive losses (e.g., InfoNCE) on the augmented views. Yet, some CF-tailored challenges make this adoption suboptimal, such as the issue of out-of-distribution, the risk of false negatives, and the nature of top-K evaluation. They necessitate the CL-based CF scheme to focus more on mining hard negatives and distinguishing false negatives from the vast unlabeled user-item interactions, for informative contrast signals. Worse still, there is limited understanding of contrastive loss in CF methods, especially w.r.t. its generalization ability. To bridge the gap, we delve into the reasons underpinning the success of contrastive loss in CF, and propose a principled Adversarial InfoNCE loss (AdvInfoNCE), which is a variant of InfoNCE, specially tailored for CF methods. AdvInfoNCE adaptively explores and assigns hardness to each negative instance in an adversarial fashion and further utilizes a fine-grained hardness-aware ranking criterion to empower the recommender's generalization ability. Training CF models with AdvInfoNCE, we validate the effectiveness of AdvInfoNCE on both synthetic and real-world benchmark datasets, thus showing its generalization ability to mitigate out-of-distribution problems. Given the theoretical guarantees and empirical superiority of AdvInfoNCE over most contrastive loss functions, we advocate its adoption as a standard loss in recommender systems, particularly for the out-of-distribution tasks. Codes are available at https://github.com/LehengTHU/AdvInfoNCE.

Model-enhanced Contrastive Reinforcement Learning for Sequential Recommendation

Reinforcement learning (RL) has been widely applied in recommendation systems due to its potential in optimizing the long-term engagement of users. From the perspective of RL, recommendation can be formulated as a Markov decision process (MDP), where recommendation system (agent) can interact with users (environment) and acquire feedback (reward signals).However, it is impractical to conduct online interactions with the concern on user experience and implementation complexity, and we can only train RL recommenders with offline datasets containing limited reward signals and state transitions. Therefore, the data sparsity issue of reward signals and state transitions is very severe, while it has long been overlooked by existing RL recommenders.Worse still, RL methods learn through the trial-and-error mode, but negative feedback cannot be obtained in implicit feedback recommendation tasks, which aggravates the overestimation problem of offline RL recommender. To address these challenges, we propose a novel RL recommender named model-enhanced contrastive reinforcement learning (MCRL). On the one hand, we learn a value function to estimate the long-term engagement of users, together with a conservative value learning mechanism to alleviate the overestimation problem.On the other hand, we construct some positive and negative state-action pairs to model the reward function and state transition function with contrastive learning to exploit the internal structure information of MDP. Experiments demonstrate that the proposed method significantly outperforms existing offline RL and self-supervised RL methods with different representative backbone networks on two real-world datasets.

Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular graph into smaller fragments (i.e., subgraphs) and converts them into tokens; (2) graph masking, which corrupts the graph with masks; (3) graph autoencoder, which first applies an encoder on the masked graph to generate the representations, and then employs a decoder on the representations to recover the tokens of the original graph. However, the previous MGM studies focus extensively on graph masking and encoder, while there is limited understanding of tokenizer and decoder. To bridge the gap, we first summarize popular molecule tokenizers at the granularity of node, edge, motif, and Graph Neural Networks (GNNs), and then examine their roles as the MGM's reconstruction targets. Further, we explore the potential of adopting an expressive decoder in MGM. Our results show that a subgraph-level tokenizer and a sufficiently expressive decoder with remask decoding have a large impact on the encoder's representation learning. Finally, we propose a novel MGM method SimSGT, featuring a Simple GNN-based Tokenizer (SGT) and an effective decoding strategy. We empirically validate that our method outperforms the existing molecule self-supervised learning methods. Our codes and checkpoints are available at https://github.com/syr-cn/SimSGT.

ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited by insufficient training data and their inability to utilize textual information, undermining their applicability in real-world applications. In this work, we propose ReLM, a novel framework that leverages the chemical knowledge encoded in language models (LMs) to assist GNNs, thereby enhancing the accuracy of real-world chemical reaction predictions. To further enhance the model's robustness and interpretability, we incorporate the confidence score strategy, enabling the LMs to self-assess the reliability of their predictions. Our experimental results demonstrate that ReLM improves the performance of state-of-the-art GNN-based methods across various chemical reaction datasets, especially in out-of-distribution settings. Codes are available at https://github.com/syr-cn/ReLM.

MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules' topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (e.g., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder's representation space and an LM's text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM's efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM's ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines. Our codes and checkpoints can be found at https://github.com/acharkq/MolCA.

A Comprehensive Evaluation of Large Language Models on Legal Judgment Prediction

Large language models (LLMs) have demonstrated great potential for domain-specific applications, such as the law domain. However, recent disputes over GPT-4's law evaluation raise questions concerning their performance in real-world legal tasks. To systematically investigate their competency in the law, we design practical baseline solutions based on LLMs and test on the task of legal judgment prediction. In our solutions, LLMs can work alone to answer open questions or coordinate with an information retrieval (IR) system to learn from similar cases or solve simplified multi-choice questions. We show that similar cases and multi-choice options, namely label candidates, included in prompts can help LLMs recall domain knowledge that is critical for expertise legal reasoning. We additionally present an intriguing paradox wherein an IR system surpasses the performance of LLM+IR due to limited gains acquired by weaker LLMs from powerful IR systems. In such cases, the role of LLMs becomes redundant. Our evaluation pipeline can be easily extended into other tasks to facilitate evaluations in other domains. Code is available at https://github.com/srhthu/LM-CompEval-Legal

Understanding Contrastive Learning via Distributionally Robust Optimization

This study reveals the inherent tolerance of contrastive learning (CL) towards sampling bias, wherein negative samples may encompass similar semantics (\eg labels). However, existing theories fall short in providing explanations for this phenomenon. We bridge this research gap by analyzing CL through the lens of distributionally robust optimization (DRO), yielding several key insights: (1) CL essentially conducts DRO over the negative sampling distribution, thus enabling robust performance across a variety of potential distributions and demonstrating robustness to sampling bias; (2) The design of the temperature $\tau$ is not merely heuristic but acts as a Lagrange Coefficient, regulating the size of the potential distribution set; (3) A theoretical connection is established between DRO and mutual information, thus presenting fresh evidence for ``InfoNCE as an estimate of MI'' and a new estimation approach for $\phi$-divergence-based generalized mutual information. We also identify CL's potential shortcomings, including over-conservatism and sensitivity to outliers, and introduce a novel Adjusted InfoNCE loss (ADNCE) to mitigate these issues. It refines potential distribution, improving performance and accelerating convergence. Extensive experiments on various domains (image, sentence, and graphs) validate the effectiveness of the proposal. The code is available at \url{https://github.com/junkangwu/ADNCE}.

Few-shot Action Recognition with Captioning Foundation Models

Transferring vision-language knowledge from pretrained multimodal foundation models to various downstream tasks is a promising direction. However, most current few-shot action recognition methods are still limited to a single visual modality input due to the high cost of annotating additional textual descriptions. In this paper, we develop an effective plug-and-play framework called CapFSAR to exploit the knowledge of multimodal models without manually annotating text. To be specific, we first utilize a captioning foundation model (i.e., BLIP) to extract visual features and automatically generate associated captions for input videos. Then, we apply a text encoder to the synthetic captions to obtain representative text embeddings. Finally, a visual-text aggregation module based on Transformer is further designed to incorporate cross-modal spatio-temporal complementary information for reliable few-shot matching. In this way, CapFSAR can benefit from powerful multimodal knowledge of pretrained foundation models, yielding more comprehensive classification in the low-shot regime. Extensive experiments on multiple standard few-shot benchmarks demonstrate that the proposed CapFSAR performs favorably against existing methods and achieves state-of-the-art performance. The code will be made publicly available.

On Generative Agents in Recommendation

Recommender systems are the cornerstone of today's information dissemination, yet a disconnect between offline metrics and online performance greatly hinders their development. Addressing this challenge, we envision a recommendation simulator, capitalizing on recent breakthroughs in human-level intelligence exhibited by Large Language Models (LLMs). We propose Agent4Rec, a novel movie recommendation simulator, leveraging LLM-empowered generative agents equipped with user profile, memory, and actions modules specifically tailored for the recommender system. In particular, these agents' profile modules are initialized using the MovieLens dataset, capturing users' unique tastes and social traits; memory modules log both factual and emotional memories and are integrated with an emotion-driven reflection mechanism; action modules support a wide variety of behaviors, spanning both taste-driven and emotion-driven actions. Each agent interacts with personalized movie recommendations in a page-by-page manner, relying on a pre-implemented collaborative filtering-based recommendation algorithm. We delve into both the capabilities and limitations of Agent4Rec, aiming to explore an essential research question: to what extent can LLM-empowered generative agents faithfully simulate the behavior of real, autonomous humans in recommender systems? Extensive and multi-faceted evaluations of Agent4Rec highlight both the alignment and deviation between agents and user-personalized preferences. Beyond mere performance comparison, we explore insightful experiments, such as emulating the filter bubble effect and discovering the underlying causal relationships in recommendation tasks. Our codes are available at https://github.com/LehengTHU/Agent4Rec.