Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating structural representations (e.g., SMILES strings, molecular graphs) with rich contextual descriptions (e.g., physicochemical properties, biomedical applications). However, MoLMs can encode and propagate inaccuracies due to outdated web-mined training corpora or malicious manipulation, jeopardizing downstream discovery pipelines. While knowledge editing has been explored for general-domain AI, its application to MoLMs remains uncharted, presenting unique challenges due to the multifaceted and interdependent nature of molecular knowledge. In this paper, we take the first step toward MoLM editing for two critical tasks: molecule-to-caption generation and caption-to-molecule generation. To address molecule-specific challenges, we propose MolEdit, a powerful framework that enables targeted modifications while preserving unrelated molecular knowledge. MolEdit combines a Multi-Expert Knowledge Adapter that routes edits to specialized experts for different molecular facets with an Expertise-Aware Editing Switcher that activates the adapters only when input closely matches the stored edits across all expertise, minimizing interference with unrelated knowledge. To systematically evaluate editing performance, we introduce MEBench, a comprehensive benchmark assessing multiple dimensions, including Reliability (accuracy of the editing), Locality (preservation of irrelevant knowledge), and Generality (robustness to reformed queries). Across extensive experiments on two popular MoLM backbones, MolEdit delivers up to 18.8 % higher Reliability and 12.0 % better Locality than state-of-the-art editing baselines while maintaining efficiency. Our findings chart a clear path toward safer, continuously updatable scientific foundation models. The code is available at: https://github.com/LzyFischer/MolEdit.

Explainable AI (XAI) refers to techniques that provide human-understandable insights into the workings of AI models. Recently, the focus of XAI has been extended toward explaining Large Language Models (LLMs). This extension calls for a significant transformation in the XAI methodologies for two reasons. First, many existing XAI methods cannot be directly applied to LLMs due to their complexity and advanced capabilities. Second, as LLMs are increasingly deployed in diverse applications, the role of XAI shifts from merely opening the “black box” to actively enhancing the productivity and applicability of LLMs in real-world settings. Meanwhile, the conversation and generation abilities of LLMs can reciprocally enhance XAI. Therefore, in this article, we introduce Usable XAI in the context of LLMs by analyzing (1) how XAI can explain and improve LLM-based AI systems and (2) how XAI techniques can be improved by using LLMs. We introduce 10 strategies, introducing the key techniques for each and discussing their associated challenges. We also provide case studies to demonstrate how to obtain and leverage explanations.

Recently, pretrained large language models (LLMs) have been widely adopted in recommendation systems to leverage their textual understanding and reasoning abilities to model user behaviors and suggest future items. A key challenge in this setting is that items on most platforms are not included in the LLM's training data. Therefore, existing methods often fine-tune LLMs by introducing auxiliary item tokens to capture item semantics. However, in real-world applications such as e-commerce and short video platforms, the item space evolves rapidly, which gives rise to a cold-start setting, where many newly introduced items receive little or even no user engagement. This poses challenges in both learning accurate item token embeddings and generalizing efficiently to accommodate the continual influx of new items. In this work, we propose a novel meta-item token learning strategy to address both these challenges simultaneously. Specifically, we introduce MI4Rec, an LLM-based approach for recommendation that uses just a few learnable meta-item tokens and an LLM encoder to dynamically aggregate meta-items based on item content. We show that this paradigm allows highly efficient and accurate learning in such challenging settings. Extensive experiments on Yelp and Amazon reviews datasets demonstrate the effectiveness of MI4Rec in both warm-start and cold-start recommendations. Notably, MI4Rec achieves an average performance improvement of 20.4% in Recall and NDCG compared to the best-performing baselines. The implementation of MI4Rec is available at https://github.com/zhengzaiyi/MI4Rec

Graph learning models have demonstrated great prowess in learning expressive representations from large-scale graph data in a wide variety of real-world scenarios. As a prevalent strategy for training powerful graph learning models, the ''pre-training, adaptation'' scheme first pre-trains graph learning models on unlabeled graph data in a self-supervised manner and then adapts them to specific downstream tasks. During the adaptation phase, graph prompting emerges as a promising approach that learns trainable prompts while keeping the pre-trained graph learning models unchanged. In this paper, we present a systematic review of recent advancements in graph prompting. First, we introduce representative graph pre-training methods that serve as the foundation step of graph prompting. Next, we review mainstream techniques in graph prompting and elaborate on how they design learnable prompts for graph prompting. Furthermore, we summarize the real-world applications of graph prompting from different domains. Finally, we discuss several open challenges in existing studies with promising future directions in this field.

Conversational recommender systems (CRS) aim to provide personalized recommendations via interactive dialogues with users. While large language models (LLMs) enhance CRS with their superior understanding of context-aware user preferences, they typically struggle to leverage behavioral data, which have proven to be important for classical collaborative filtering (CF)-based approaches. For this reason, we propose CRAG-Collaborative Retrieval Augmented Generation for LLM-based CRS. To the best of our knowledge, CRAG is the first approach that combines state-of-the-art LLMs with CF for conversational recommendations. Our experiments on two publicly available movie conversational recommendation datasets, i.e., a refined Reddit dataset (which we name Reddit-v2) as well as the Redial dataset, demonstrate the superior item coverage and recommendation performance of CRAG, compared to several CRS baselines. Moreover, we observe that the improvements are mainly due to better recommendation accuracy on recently released movies. The code and data are available at https://github.com/yaochenzhu/CRAG.

POI recommendation plays an important role in many applications, such as mobility prediction and location-based advertisements. Existing POI recommendation methods mainly capture the observed patterns in user visits for recommendations, without a comprehensive consideration of the underlying reasons behind the visits. Therefore, different causes of a visit, i.e., users’ interest and geographical context, are entangled. When the underlying causes change (e.g., when a user moves to a new place), the robustness of the recommendations cannot be guaranteed. To address the above challenges, we propose DUIG, a novel user interest and geographical influences disentanglement framework for POI recommendations. We first design a personalized disentanglement strategy to divide check-ins through geographical influence. Specifically, the colliding effect of causality is leveraged to the divide cause-specific check-ins, such that user interest and geographical influence can be properly disentangled in user and POI embeddings. Through this mechanism, even if the underlying reasons that affect a user’s preference change, intervention can be conducted upon the causes to make recommendations generalized to the new scenario. In addition, a geographical-aware negative sampling strategy is proposed to utilize hard negatives to regularize the embedding and disentanglement in the latent space, where a larger sampling probability is introduced for negative samples containing more geographic information. Extensive experiments on two real-world POI recommendation datasets demonstrate the superior performance of DUIG.

Job marketplace is a heterogeneous graph composed of interactions among members (job-seekers), companies, and jobs. Understanding and modeling job marketplace can benefit both job seekers and employers, ultimately contributing to the greater good of the society. However, existing graph neural network (GNN)-based methods have shallow understandings of the associated textual features and heterogeneous relations. To address the above challenges, we propose PLM4Job, a job marketplace foundation model that tightly couples pretrained language models (PLM) with job market graph, aiming to fully utilize the pretrained knowledge and reasoning ability to model member/job textual features as well as various member-job relations simultaneously. In the pretraining phase, we propose a heterogeneous ego-graph-based prompting strategy to model and aggregate member/job textual features based on the topological structure around the target member/job node, where entity type embeddings and graph positional embeddings are introduced accordingly to model different entities and their heterogeneous relations. Meanwhile, a proximity-aware attention alignment strategy is designed to dynamically adjust the attention of the PLM on ego-graph node tokens in the prompt, such that the attention can be better aligned with job marketplace semantics. Extensive experiments at LinkedIn demonstrate the effectiveness of PLM4Job.

Tripartite graph-based recommender systems markedly diverge from traditional models by recommending unique combinations such as user groups and item bundles. Despite their effectiveness, these systems exacerbate the long-standing cold-start problem in traditional recommender systems, because any number of user groups or item bundles can be formed among users or items. To address this issue, we introduce a Consistency and Discrepancy-based graph contrastive learning method for tripartite graph-based Recommendation (CDR). This approach leverages two novel meta-path-based metrics-consistency and discrepancy-to capture nuanced, implicit associations between the recommended objects and the recommendees. These metrics, indicative of high-order similarities, can be efficiently calculated with infinite graph convolutional networks (GCN) layers under a multi-objective optimization framework, using the limit theory of GCN. Additionally, we introduce a novel Contrastive Divergence (CD) loss, which can seamlessly integrate the consistency and discrepancy metrics into the contrastive objective as the positive and contrastive supervision signals to learn node representations, enhancing the pairwise ranking of recommended objects and proving particularly valuable in severe cold-start scenarios. Extensive experiments demonstrate the effectiveness of the proposed CDR. The code is released at https://github.com/foodfaust/CDR.

Causality lays the foundation for the trajectory of our world. Causal inference (CI), which aims to infer intrinsic causal relations among variables of interest, has emerged as a crucial research topic. Nevertheless, the lack of observation of important variables (e.g., confounders, mediators, exogenous variables, etc.) severely compromises the reliability of CI methods. The issue may arise from the inherent difficulty in measuring the variables. Additionally, in observational studies where variables are passively recorded, certain covariates might be inadvertently omitted by the experimenter. Depending on the type of unobserved variables and the specific CI task, various consequences can be incurred if these latent variables are carelessly handled, such as biased estimation of causal effects, incomplete understanding of causal mechanisms, lack of individual-level causal consideration, etc. In this survey, we provide a comprehensive review of recent developments in CI with latent variables. We start by discussing traditional CI techniques when variables of interest are assumed to be fully observed. Afterward, under the taxonomy of circumvention and inference-based methods, we provide an in-depth discussion of various CI strategies to handle latent variables, covering the tasks of causal effect estimation, mediation analysis, counterfactual reasoning, and causal discovery. Furthermore, we generalize the discussion to graph data where interference among units may exist. Finally, we offer fresh aspects for further advancement of CI with latent variables, especially new opportunities in the era of large language models (LLMs).

Recently, there has been growing interest in developing the next-generation recommender systems (RSs) based on pretrained large language models (LLMs). However, the semantic gap between natural language and recommendation tasks is still not well addressed, leading to multiple issues such as spuriously correlated user/item descriptors, ineffective language modeling on user/item data, inefficient recommendations via auto-regression, etc. In this paper, we propose CLLM4Rec, the first generative RS that tightly integrates the LLM paradigm and ID paradigm of RSs, aiming to address the above challenges simultaneously. We first extend the vocabulary of pretrained LLMs with user/item ID tokens to faithfully model user/item collaborative and content semantics. Accordingly, a novel soft+hard prompting strategy is proposed to effectively learn user/item collaborative/content token embeddings via language modeling on RS-specific corpora, where each document is split into a prompt consisting of heterogeneous soft (user/item) tokens and hard (vocab) tokens and a main text consisting of homogeneous item tokens or vocab tokens to facilitate stable and effective language modeling. In addition, a novel mutual regularization strategy is introduced to encourage CLLM4Rec to capture recommendation-related information from noisy user/item content. Finally, we propose a novel recommendation-oriented finetuning strategy for CLLM4Rec, where an item prediction head with multinomial likelihood is added to the pretrained CLLM4Rec backbone to predict hold-out items based on soft+hard prompts established from masked user-item interaction history, where recommendations of multiple items can be generated efficiently without hallucination.

Traditional recommender systems aim to estimate a user’s rating to an item based on observed ratings from the population. As with all observational studies, hidden confounders, which are factors that affect both item exposures and user ratings, lead to a systematic bias in the estimation. Consequently, causal inference has been introduced in recommendations to address the influence of unobserved confounders. Observing that confounders in recommendations are usually shared among items and are therefore multi-cause confounders, we model the recommendation as a multi-cause multi-outcome (MCMO) inference problem. Specifically, to remedy the confounding bias, we estimate user-specific latent variables that render the item exposures independent Bernoulli trials. The generative distribution is parameterized by a DNN with factorized logistic likelihood and the intractable posteriors are estimated by variational inference. Controlling these factors as substitute confounders, under mild assumptions, can eliminate the bias incurred by multi-cause confounders. Furthermore, we show that MCMO modeling may lead to high variance due to scarce observations associated with the high-dimensional treatment space. Therefore, we theoretically demonstrate that controlling user features as pre-treatment variables can substantially improve sample efficiency and alleviate overfitting. Empirical studies on both simulated and real-world datasets demonstrate that the proposed deep causal recommender shows more robustness to unobserved confounders than state-of-the-art causal recommenders. Codes and datasets are released at https://github.com/yaochenzhu/Deep-Deconf.

Recommender systems (RSs) have become an indispensable part of online platforms. With the growing concerns of algorithmic fairness, RSs are not only expected to deliver high-quality personalized content, but are also demanded not to discriminate against users based on their demographic information. However, existing RSs could capture undesirable correlations between sensitive features and observed user behaviors, leading to biased recommendations. Most fair RSs tackle this problem by completely blocking the influences of sensitive features on recommendations. But since sensitive features may also affect user interests in a fair manner (e.g., race on culture-based preferences), indiscriminately eliminating all the influences of sensitive features inevitably degenerate the recommendations quality and necessary diversities. To address this challenge, we propose a path-specific fair RS (PSF-RS) for recommendations. Specifically, we summarize all fair and unfair correlations between sensitive features and observed ratings into two latent proxy mediators, where the concept of path-specific bias (PS-Bias) is defined based on path-specific counterfactual inference. Inspired by Pearl's minimal change principle, we address the PS-Bias by minimally transforming the biased factual world into a hypothetically fair world, where a fair RS model can be learned accordingly by solving a constrained optimization problem. For the technical part, we propose a feasible implementation of PSF-RS, i.e., PSF-VAE, with weakly-supervised variational inference, which robustly infers the latent mediators such that unfairness can be mitigated while necessary recommendation diversities can be maximally preserved simultaneously. Experiments conducted on semi-simulated and real-world datasets demonstrate the effectiveness of PSF-RS.

Hybrid recommendations have recently attracted a lot of attention where user features are utilized as auxiliary information to address the sparsity problem caused by insufficient user-item interactions. However, extracted user features generally contain rich multimodal information, and most of them are irrelevant to the recommendation purpose. In this article, we propose a variational bandwidth auto-encoder (VBAE) for recommendations, aiming to address the sparsity and noise problems simultaneously. VBAE first encodes user collaborative and feature information into Gaussian latent variables via deep neural networks to capture non-linear user similarities. Moreover, by considering the fusion of collaborative and feature variables as a virtual communication channel from an information-theoretic perspective, we introduce a user-dependent channel to dynamically control the information allowed to be accessed from the feature embeddings. A quantum-inspired uncertainty measurement of the hidden rating embeddings is proposed accordingly to infer the channel bandwidth by disentangling the uncertainty information in the ratings from the semantic information. Through this mechanism, VBAE incorporates adequate auxiliary information from user features if collaborative information is insufficient, while avoiding excessive reliance on noisy user features to improve its generalization ability to new users. Extensive experiments conducted on three datasets demonstrate the effectiveness of the proposed method.

Recently, user-oriented auto-encoders (UAEs) have been widely used in recommender systems to learn semantic representations of users based on their historical ratings. However, since latent item variables are not modeled in UAE, it is difficult to utilize the widely available item content information when ratings are sparse. In addition, whenever new items arrive, we need to wait for collecting rating data for these items and retrain the UAE from scratch, which is inefficient in practice. Aiming to address the above two problems simultaneously, we propose a mutually-regularized dual collaborative variational auto-encoder (MD-CVAE) for recommendation. First, by replacing randomly initialized last layer weights of the vanilla UAE with stacked latent item embeddings, MD-CVAE integrates two heterogeneous information sources, i.e., item content and user ratings, into the same principled variational framework where the weights of UAE are regularized by item content such that convergence to a non-optima due to data sparsity can be avoided. In addition, the regularization is mutual in that user ratings can also help the dual item content module learn more recommendation-oriented item content embeddings. Finally, we propose a symmetric inference strategy for MD-CVAE where the first layer weights of the UAE encoder are tied to the latent item embeddings of the UAE decoder. Through this strategy, no retraining is required to recommend newly introduced items. Empirical studies show the effectiveness of MD-CVAE in both normal and cold-start scenarios. Codes are available at https://github.com/yaochenzhu/MD-CVAE.

Predicting the popularity of a micro-video is a challenging task, due to a number of factors impacting the distribution such as the diversity of the video content and user interests, complex online interactions, etc. In this paper, we propose a multimodal variational encoder-decoder (MMVED) framework that considers the uncertain factors as the randomness for the mapping from the multimodal features to the popularity. Specifically, the MMVED first encodes features from multiple modalities in the observation space into latent representations and learns their probability distributions based on variational inference, where only relevant features in the input modalities can be extracted into the latent representations. Then, the modality-specific hidden representations are fused through Bayesian reasoning such that the complementary information from all modalities is well utilized. Finally, a temporal decoder implemented as a recurrent neural network is designed to predict the popularity sequence of a certain micro-video. Experiments conducted on a real-world dataset demonstrate the effectiveness of our proposed model in the micro-video popularity prediction task.