Towards 3D Molecule-Text Interpretation in Language Models

Language Models (LMs) have greatly influenced diverse domains. However, their inherent limitation in comprehending 3D molecular structures has considerably constrained their potential in the biomolecular domain. To bridge this gap, we focus on 3D molecule-text interpretation, and propose 3D-MoLM: 3D-Molecular Language Modeling. Specifically, 3D-MoLM enables an LM to interpret and analyze 3D molecules by equipping the LM with a 3D molecular encoder. This integration is achieved by a 3D molecule-text projector, bridging the 3D molecular encoder's representation space and the LM's input space. Moreover, to enhance 3D-MoLM's ability of cross-modal molecular understanding and instruction following, we meticulously curated a 3D molecule-centric instruction tuning dataset -- 3D-MoIT. Through 3D molecule-text alignment and 3D molecule-centric instruction tuning, 3D-MoLM establishes an integration of 3D molecular encoder and LM. It significantly surpasses existing baselines on downstream tasks, including molecule-text retrieval, molecule captioning, and more challenging open-text molecular QA tasks, especially focusing on 3D-dependent properties.

Alleviating Structural Distribution Shift in Graph Anomaly Detection

Graph anomaly detection (GAD) is a challenging binary classification problem due to its different structural distribution between anomalies and normal nodes -- abnormal nodes are a minority, therefore holding high heterophily and low homophily compared to normal nodes. Furthermore, due to various time factors and the annotation preferences of human experts, the heterophily and homophily can change across training and testing data, which is called structural distribution shift (SDS) in this paper. The mainstream methods are built on graph neural networks (GNNs), benefiting the classification of normals from aggregating homophilous neighbors, yet ignoring the SDS issue for anomalies and suffering from poor generalization. This work solves the problem from a feature view. We observe that the degree of SDS varies between anomalies and normal nodes. Hence to address the issue, the key lies in resisting high heterophily for anomalies meanwhile benefiting the learning of normals from homophily. We tease out the anomaly features on which we constrain to mitigate the effect of heterophilous neighbors and make them invariant. We term our proposed framework as Graph Decomposition Network (GDN). Extensive experiments are conducted on two benchmark datasets, and the proposed framework achieves a remarkable performance boost in GAD, especially in an SDS environment where anomalies have largely different structural distribution across training and testing environments. Codes are open-sourced in https://github.com/blacksingular/wsdm_GDN.

Preliminary Study on Incremental Learning for Large Language Model-based Recommender Systems

Adapting Large Language Models for recommendation (LLM4Rec)has garnered substantial attention and demonstrated promising results. However, the challenges of practically deploying LLM4Rec are largely unexplored, with the need for incremental adaptation to evolving user preferences being a critical concern. Nevertheless, the suitability of traditional incremental learning within LLM4Rec remains ambiguous, given the unique characteristics of LLMs. In this study, we empirically evaluate the commonly used incremental learning strategies (full retraining and fine-tuning) for LLM4Rec. Surprisingly, neither approach leads to evident improvements in LLM4Rec's performance. Rather than directly dismissing the role of incremental learning, we ascribe this lack of anticipated performance improvement to the mismatch between the LLM4Recarchitecture and incremental learning: LLM4Rec employs a single adaptation module for learning recommendation, hampering its ability to simultaneously capture long-term and short-term user preferences in the incremental learning context. To validate this speculation, we develop a Long- and Short-term Adaptation-aware Tuning (LSAT) framework for LLM4Rec incremental learning. Instead of relying on a single adaptation module, LSAT utilizes two adaptation modules to separately learn long-term and short-term user preferences. Empirical results demonstrate that LSAT could enhance performance, validating our speculation.

CAR: Consolidation, Augmentation and Regulation for Recipe Retrieval

Learning recipe and food image representation in common embedding space is non-trivial but crucial for cross-modal recipe retrieval. In this paper, we propose CAR framework with three novel techniques, i.e., Consolidation, Augmentation and Regulation, for cross-modal recipe retrieval. We introduce adapter layers to consolidate pre-trained CLIP model with much less computation cost than fully cumbersome fine-tuning all the parameters. Furthermore, leveraging on the strong capability of foundation models (i.e., SAM and LLM), we propose to augment recipe and food image by extracting information related to the counterpart. SAM generates image segments corresponding to ingredients in the recipe, while LLM produces a visual imagination description from the recipe, aiming to capture the visual cues of a food image. In addition, we introduce circle loss to regulate cross-modal embedding space, which assigns different penalties for positive and negative pairs. With the extra augmented data from recipe and image, multi-level circle loss is proposed, which applies circle loss not only to original image-recipe pairs, but also to image segments and recipe, visual imagination description and food image as well as any two sections within a recipe. On Recipe1M dataset, our proposed CAR outperforms all the existing methods by a large margin. Extensive ablation studies are conducted to validate the effectiveness of each component of CAR. We will make our code and models publicly available.

LLaRA: Aligning Large Language Models with Sequential Recommenders

Sequential recommendation aims to predict the subsequent items matching user preference based on her/his historical interactions. With the development of Large Language Models (LLMs), there is growing interest in exploring the potential of LLMs for sequential recommendation by framing it as a language modeling task. Prior works represent items in the textual prompts using either ID indexing or text indexing and feed the prompts into LLMs, but falling short of either encapsulating comprehensive world knowledge or exhibiting sufficient sequential understanding. To harness the complementary strengths of traditional recommenders (which encode user behavioral knowledge) and LLMs (which possess world knowledge about items), we propose LLaRA -- a Large Language and Recommendation Assistant framework. Specifically, LLaRA represents items in LLM's input prompts using a novel hybrid approach that integrates ID-based item embeddings from traditional recommenders with textual item features. Viewing the ``sequential behavior of the user'' as a new modality in recommendation, we employ an adapter to bridge the modality gap between ID embeddings of the traditional recommenders and the input space of LLMs. Furthermore, instead of directly exposing the hybrid prompt to LLMs, we apply a curriculum learning approach to gradually ramp up training complexity. We first warm up the LLM with text-only prompting, which aligns more naturally with the LLM's language modeling capabilities. Thereafter, we progressively transition to hybrid prompting, training the adapter to incorporate behavioral knowledge from the traditional sequential recommender into the LLM. Extensive experiments demonstrate the efficacy of LLaRA framework. Our code and data are available at https://github.com/ljy0ustc/LLaRA .

Large Language Model Can Interpret Latent Space of Sequential Recommender

Sequential recommendation is to predict the next item of interest for a user, based on her/his interaction history with previous items. In conventional sequential recommenders, a common approach is to model item sequences using discrete IDs, learning representations that encode sequential behaviors and reflect user preferences. Inspired by recent success in empowering large language models (LLMs) to understand and reason over diverse modality data (e.g., image, audio, 3D points), a compelling research question arises: ``Can LLMs understand and work with hidden representations from ID-based sequential recommenders?''.To answer this, we propose a simple framework, RecInterpreter, which examines the capacity of open-source LLMs to decipher the representation space of sequential recommenders. Specifically, with the multimodal pairs (\ie representations of interaction sequence and text narrations), RecInterpreter first uses a lightweight adapter to map the representations into the token embedding space of the LLM. Subsequently, it constructs a sequence-recovery prompt that encourages the LLM to generate textual descriptions for items within the interaction sequence. Taking a step further, we propose a sequence-residual prompt instead, which guides the LLM in identifying the residual item by contrasting the representations before and after integrating this residual into the existing sequence. Empirical results showcase that our RecInterpreter enhances the exemplar LLM, LLaMA, to understand hidden representations from ID-based sequential recommenders, especially when guided by our sequence-residual prompts. Furthermore, RecInterpreter enables LLaMA to instantiate the oracle items generated by generative recommenders like DreamRec, concreting the item a user would ideally like to interact with next. Codes are available at https://github.com/YangZhengyi98/RecInterpreter.

Generate What You Prefer: Reshaping Sequential Recommendation via Guided Diffusion

Sequential recommendation aims to recommend the next item that matches a user's interest, based on the sequence of items he/she interacted with before. Scrutinizing previous studies, we can summarize a common learning-to-classify paradigm -- given a positive item, a recommender model performs negative sampling to add negative items and learns to classify whether the user prefers them or not, based on his/her historical interaction sequence. Although effective, we reveal two inherent limitations:(1) it may differ from human behavior in that a user could imagine an oracle item in mind and select potential items matching the oracle; and (2) the classification is limited in the candidate pool with noisy or easy supervision from negative samples, which dilutes the preference signals towards the oracle item. Yet, generating the oracle item from the historical interaction sequence is mostly unexplored. To bridge the gap, we reshape sequential recommendation as a learning-to-generate paradigm, which is achieved via a guided diffusion model, termed DreamRec.Specifically, for a sequence of historical items, it applies a Transformer encoder to create guidance representations. Noising target items explores the underlying distribution of item space; then, with the guidance of historical interactions, the denoising process generates an oracle item to recover the positive item, so as to cast off negative sampling and depict the true preference of the user directly. We evaluate the effectiveness of DreamRec through extensive experiments and comparisons with existing methods. Codes and data are open-sourced at https://github.com/YangZhengyi98/DreamRec.

CoLLM: Integrating Collaborative Embeddings into Large Language Models for Recommendation

Leveraging Large Language Models as Recommenders (LLMRec) has gained significant attention and introduced fresh perspectives in user preference modeling. Existing LLMRec approaches prioritize text semantics, usually neglecting the valuable collaborative information from user-item interactions in recommendations. While these text-emphasizing approaches excel in cold-start scenarios, they may yield sub-optimal performance in warm-start situations. In pursuit of superior recommendations for both cold and warm start scenarios, we introduce CoLLM, an innovative LLMRec methodology that seamlessly incorporates collaborative information into LLMs for recommendation. CoLLM captures collaborative information through an external traditional model and maps it to the input token embedding space of LLM, forming collaborative embeddings for LLM usage. Through this external integration of collaborative information, CoLLM ensures effective modeling of collaborative information without modifying the LLM itself, providing the flexibility to employ various collaborative information modeling techniques. Extensive experiments validate that CoLLM adeptly integrates collaborative information into LLMs, resulting in enhanced recommendation performance. We release the code and data at https://github.com/zyang1580/CoLLM.

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.

Attack Prompt Generation for Red Teaming and Defending Large Language Models

Large language models (LLMs) are susceptible to red teaming attacks, which can induce LLMs to generate harmful content. Previous research constructs attack prompts via manual or automatic methods, which have their own limitations on construction cost and quality. To address these issues, we propose an integrated approach that combines manual and automatic methods to economically generate high-quality attack prompts. Specifically, considering the impressive capabilities of newly emerged LLMs, we propose an attack framework to instruct LLMs to mimic human-generated prompts through in-context learning. Furthermore, we propose a defense framework that fine-tunes victim LLMs through iterative interactions with the attack framework to enhance their safety against red teaming attacks. Extensive experiments on different LLMs validate the effectiveness of our proposed attack and defense frameworks. Additionally, we release a series of attack prompts datasets named SAP with varying sizes, facilitating the safety evaluation and enhancement of more LLMs. Our code and dataset is available on https://github.com/Aatrox103/SAP .