James Caverlee’s research while affiliated with Texas A&M University and other places

Masculine defaults are widely recognized as a significant type of gender bias, but they are often unseen as they are under-researched. Masculine defaults involve three key parts: (i) the cultural context, (ii) the masculine characteristics or behaviors, and (iii) the reward for, or simply acceptance of, those masculine characteristics or behaviors. In this work, we study discourse-based masculine defaults, and propose a twofold framework for (i) the large-scale discovery and analysis of gendered discourse words in spoken content via our Gendered Discourse Correlation Framework (GDCF); and (ii) the measurement of the gender bias associated with these gendered discourse words in LLMs via our Discourse Word-Embedding Association Test (D-WEAT). We focus our study on podcasts, a popular and growing form of social media, analyzing 15,117 podcast episodes. We analyze correlations between gender and discourse words -- discovered via LDA and BERTopic -- to automatically form gendered discourse word lists. We then study the prevalence of these gendered discourse words in domain-specific contexts, and find that gendered discourse-based masculine defaults exist in the domains of business, technology/politics, and video games. Next, we study the representation of these gendered discourse words from a state-of-the-art LLM embedding model from OpenAI, and find that the masculine discourse words have a more stable and robust representation than the feminine discourse words, which may result in better system performance on downstream tasks for men. Hence, men are rewarded for their discourse patterns with better system performance by one of the state-of-the-art language models -- and this embedding disparity is a representational harm and a masculine default.

We consider the conditional generation of 3D drug-like molecules with explicit control over molecular properties such as drug-like properties (e.g., Quantitative Estimate of Druglikeness or Synthetic Accessibility score) and effectively binding to specific protein sites. To tackle this problem, we propose an E(3)-equivariant Wasserstein autoencoder and factorize the latent space of our generative model into two disentangled aspects: molecular properties and the remaining structural context of 3D molecules. Our model ensures explicit control over these molecular attributes while maintaining equivariance of coordinate representation and invariance of data likelihood. Furthermore, we introduce a novel alignment-based coordinate loss to adapt equivariant networks for auto-regressive de-novo 3D molecule generation from scratch. Extensive experiments validate our model's effectiveness on property-guided and context-guided molecule generation, both for de-novo 3D molecule design and structure-based drug discovery against protein targets.

Large Language Models (LLMs) have demonstrated tremendous potential as the next-generation ranking-based recommendation system. Many recent works have shown that LLMs can significantly outperform conventional click-through-rate (CTR) prediction approaches. Despite such promising results, the computational inefficiency inherent in the current training paradigm makes it particularly challenging to train LLMs for ranking-based recommendation tasks on large datasets. To train LLMs for CTR prediction, most existing studies adopt the prevalent ''sliding-window'' paradigm. Given a sequence of m user interactions, a unique training prompt is constructed for each interaction by designating it as the prediction target along with its preceding n interactions serving as context. In turn, the sliding-window paradigm results in an overall complexity of $O(mn^2)$ that scales linearly with the length of user interactions. Consequently, a direct adoption to train LLMs with such strategy can result in prohibitively high training costs as the length of interactions grows. To alleviate the computational inefficiency, we propose a novel training paradigm, namely Dynamic Target Isolation (DTI), that structurally parallelizes the training of k (where $k >> 1$) target interactions. Furthermore, we identify two major bottlenecks - hidden-state leakage and positional bias overfitting - that limit DTI to only scale up to a small value of k (e.g., 5) then propose a computationally light solution to effectively tackle each. Through extensive experiments on three widely adopted public CTR datasets, we empirically show that DTI reduces training time by an average of \textbf{92%} (e.g., from 70.5 hrs to 5.31 hrs), without compromising CTR prediction performance.

Conversational Recommender Systems (CRSs) have become increasingly popular as a powerful tool for providing personalized recommendation experiences. By directly engaging with users in a conversational manner to learn their current and fine-grained preferences, a CRS can quickly derive recommendations that are relevant and justifiable. However, existing conversational recommendation systems (CRSs) typically rely on a centralized training and deployment process, which involves collecting and storing explicitly-communicated user preferences in a centralized repository. These fine-grained user preferences are completely human-interpretable and can easily be used to infer sensitive information (e.g., financial status, political stands, and health information) about the user, if leaked or breached. To address the user privacy concerns in CRS, we first define a set of privacy protection guidelines for preserving user privacy under the conversational recommendation setting. Based on these guidelines, we propose a novel federated conversational recommendation framework that effectively reduces the risk of exposing user privacy by (i) de-centralizing both the historical interests estimation stage and the interactive preference elicitation stage and (ii) strictly bounding privacy leakage by enforcing user-level differential privacy with meticulously selected privacy budgets. Through extensive experiments, we show that the proposed framework not only satisfies these user privacy protection guidelines, but also enables the system to achieve competitive recommendation performance even when compared to the state-of-the-art non-private conversational recommendation approach.

We consider enhancing large language models (LLMs) for complex planning tasks. While existing methods allow LLMs to explore intermediate steps to make plans, they either depend on unreliable self-verification or external verifiers to evaluate these steps, which demand significant data and computations. Here, we propose automated heuristics discovery (AutoHD), a novel approach that enables LLMs to explicitly generate heuristic functions to guide inference-time search, allowing accurate evaluation of intermediate states. These heuristic functions are further refined through a heuristic evolution process, improving their robustness and effectiveness. Our proposed method requires no additional model training or fine-tuning, and the explicit definition of heuristic functions generated by the LLMs provides interpretability and insights into the reasoning process. Extensive experiments across diverse benchmarks demonstrate significant gains over multiple baselines, including nearly twice the accuracy on some datasets, establishing our approach as a reliable and interpretable solution for complex planning tasks.

Large language models (LLMs) are widely used, but they often generate subtle factual errors, especially in long-form text. These errors are fatal in some specialized domains such as medicine. Existing fact-checking with grounding documents methods face two main challenges: (1) they struggle to understand complex multihop relations in long documents, often overlooking subtle factual errors; (2) most specialized methods rely on pairwise comparisons, requiring multiple model calls, leading to high resource and computational costs. To address these challenges, we propose \textbf{\textit{GraphCheck}}, a fact-checking framework that uses extracted knowledge graphs to enhance text representation. Graph Neural Networks further process these graphs as a soft prompt, enabling LLMs to incorporate structured knowledge more effectively. Enhanced with graph-based reasoning, GraphCheck captures multihop reasoning chains which are often overlooked by existing methods, enabling precise and efficient fact-checking in a single inference call. Experimental results on seven benchmarks spanning both general and medical domains demonstrate a 6.1\% overall improvement over baseline models. Notably, GraphCheck outperforms existing specialized fact-checkers and achieves comparable performance with state-of-the-art LLMs, such as DeepSeek-V3 and OpenAI-o1, with significantly fewer parameters.

We examine the reasoning and planning capabilities of large language models (LLMs) in solving complex tasks. Recent advances in inference-time techniques demonstrate the potential to enhance LLM reasoning without additional training by exploring intermediate steps during inference. Notably, OpenAI's o1 model shows promising performance through its novel use of multi-step reasoning and verification. Here, we explore how scaling inference-time techniques can improve reasoning and planning, focusing on understanding the tradeoff between computational cost and performance. To this end, we construct a comprehensive benchmark, known as Sys2Bench, and perform extensive experiments evaluating existing inference-time techniques on eleven diverse tasks across five categories, including arithmetic reasoning, logical reasoning, common sense reasoning, algorithmic reasoning, and planning. Our findings indicate that simply scaling inference-time computation has limitations, as no single inference-time technique consistently performs well across all reasoning and planning tasks.

Generative models have shown great promise in collaborative filtering by capturing the underlying distribution of user interests and preferences. However, existing approaches struggle with inaccurate posterior approximations and misalignment with the discrete nature of recommendation data, limiting their expressiveness and real-world performance. To address these limitations, we propose FlowCF, a novel flow-based recommendation system leveraging flow matching for collaborative filtering. We tailor flow matching to the unique challenges in recommendation through two key innovations: (1) a behavior-guided prior that aligns with user behavior patterns to handle the sparse and heterogeneous user-item interactions, and (2) a discrete flow framework to preserve the binary nature of implicit feedback while maintaining the benefits of flow matching, such as stable training and efficient inference. Extensive experiments demonstrate that FlowCF achieves state-of-the-art recommendation accuracy across various datasets with the fastest inference speed, making it a compelling approach for real-world recommender systems.

Cold-start problem is one of the long-standing challenges in recommender systems, focusing on accurately modeling new or interaction-limited users or items to provide better recommendations. Due to the diversification of internet platforms and the exponential growth of users and items, the importance of cold-start recommendation (CSR) is becoming increasingly evident. At the same time, large language models (LLMs) have achieved tremendous success and possess strong capabilities in modeling user and item information, providing new potential for cold-start recommendations. However, the research community on CSR still lacks a comprehensive review and reflection in this field. Based on this, in this paper, we stand in the context of the era of large language models and provide a comprehensive review and discussion on the roadmap, related literature, and future directions of CSR. Specifically, we have conducted an exploration of the development path of how existing CSR utilizes information, from content features, graph relations, and domain information, to the world knowledge possessed by large language models, aiming to provide new insights for both the research and industrial communities on CSR. Related resources of cold-start recommendations are collected and continuously updated for the community in https://github.com/YuanchenBei/Awesome-Cold-Start-Recommendation.