Daily Papers

The Shapley value is one of the most widely used measures of feature importance partly as it measures a feature's average effect on a model's prediction. We introduce joint Shapley values, which directly extend Shapley's axioms and intuitions: joint Shapley values measure a set of features' average contribution to a model's prediction. We prove the uniqueness of joint Shapley values, for any order of explanation. Results for games show that joint Shapley values present different insights from existing interaction indices, which assess the effect of a feature within a set of features. The joint Shapley values provide intuitive results in ML attribution problems. With binary features, we present a presence-adjusted global value that is more consistent with local intuitions than the usual approach.

Despite their remarkable reasoning capabilities across diverse domains, large language models (LLMs) face fundamental challenges in natively functioning as generative reasoning recommendation models (GRRMs), where the intrinsic modeling gap between textual semantics and collaborative filtering signals, combined with the sparsity and stochasticity of user feedback, presents significant obstacles. This work explores how to build GRRMs by adapting pre-trained LLMs, which achieves a unified understanding-reasoning-prediction manner for recommendation tasks. We propose GREAM, an end-to-end framework that integrates three components: (i) Collaborative-Semantic Alignment, which fuses heterogeneous textual evidence to construct semantically consistent, discrete item indices and auxiliary alignment tasks that ground linguistic representations in interaction semantics; (ii) Reasoning Curriculum Activation, which builds a synthetic dataset with explicit Chain-of-Thought supervision and a curriculum that progresses through behavioral evidence extraction, latent preference modeling, intent inference, recommendation formulation, and denoised sequence rewriting; and (iii) Sparse-Regularized Group Policy Optimization (SRPO), which stabilizes post-training via Residual-Sensitive Verifiable Reward and Bonus-Calibrated Group Advantage Estimation, enabling end-to-end optimization under verifiable signals despite sparse successes. GREAM natively supports two complementary inference modes: Direct Sequence Recommendation for high-throughput, low-latency deployment, and Sequential Reasoning Recommendation that first emits an interpretable reasoning chain for causal transparency. Experiments on three datasets demonstrate consistent gains over strong baselines, providing a practical path toward verifiable-RL-driven LLM recommenders.

Multi-vector document retrieval systems, such as ColPali, excel in fine-grained matching for complex queries but incur significant storage and computational costs due to their reliance on high-dimensional patch embeddings and late-interaction scoring. To address these challenges, we propose HPC-ColPali, a Hierarchical Patch Compression framework that enhances the efficiency of ColPali while preserving its retrieval accuracy. Our approach integrates three innovative techniques: (1) K-Means quantization, which compresses patch embeddings into 1-byte centroid indices, achieving up to 32times storage reduction; (2) attention-guided dynamic pruning, utilizing Vision-Language Model attention weights to retain only the top-p% most salient patches, reducing late-interaction computation by up to 60\% with less than 2\% nDCG@10 loss; and (3) optional binary encoding of centroid indices into b-bit strings (b=lceillog_2 Krceil), enabling rapid Hamming distance-based similarity search for resource-constrained environments. Evaluated on the ViDoRe and SEC-Filings datasets, HPC-ColPali achieves 30--50\% lower query latency under HNSW indexing while maintaining high retrieval precision. When integrated into a Retrieval-Augmented Generation pipeline for legal summarization, it reduces hallucination rates by 30\% and halves end-to-end latency. These advancements establish HPC-ColPali as a scalable and efficient solution for multi-vector document retrieval across diverse applications. Code is available at https://github.com/DngBack/HPC-ColPali.

Quantifying the similarity between two mathematical structures or datasets constitutes a particularly interesting and useful operation in several theoretical and applied problems. Aimed at this specific objective, the Jaccard index has been extensively used in the most diverse types of problems, also motivating some respective generalizations. The present work addresses further generalizations of this index, including its modification into a coincidence index capable of accounting also for the level of relative interiority between the two compared entities, as well as respective extensions for sets in continuous vector spaces, the generalization to multiset addition, densities and generic scalar fields, as well as a means to quantify the joint interdependence between two random variables. The also interesting possibility to take into account more than two sets has also been addressed, including the description of an index capable of quantifying the level of chaining between three structures. Several of the described and suggested eneralizations have been illustrated with respect to numeric case examples. It is also posited that these indices can play an important role while analyzing and integrating datasets in modeling approaches and pattern recognition activities, including as a measurement of clusters similarity or separation and as a resource for representing and analyzing complex networks.

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

Language agents have demonstrated remarkable potential in web search and information retrieval. However, these search agents assume user queries are complete and unambiguous, an assumption that diverges from reality where users begin with incomplete queries requiring clarification through interaction. Yet most agents lack interactive mechanisms during the search process, and existing benchmarks cannot assess this capability. To address this gap, we introduce InteractComp, a benchmark designed to evaluate whether search agents can recognize query ambiguity and actively interact to resolve it during search. Following the principle of easy to verify, interact to disambiguate, we construct 210 expert-curated questions across 9 domains through a target-distractor methodology that creates genuine ambiguity resolvable only through interaction. Evaluation of 17 models reveals striking failure: the best model achieves only 13.73% accuracy despite 71.50% with complete context, exposing systematic overconfidence rather than reasoning deficits. Forced interaction produces dramatic gains, demonstrating latent capability current strategies fail to engage. Longitudinal analysis shows interaction capabilities stagnated over 15 months while search performance improved seven-fold, revealing a critical blind spot. This stagnation, coupled with the immediate feedback inherent to search tasks, makes InteractComp a valuable resource for both evaluating and training interaction capabilities in search agents. The code is available at https://github.com/FoundationAgents/InteractComp.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

Fairness and relevance are two important aspects of recommender systems (RSs). Typically, they are evaluated either (i) separately by individual measures of fairness and relevance, or (ii) jointly using a single measure that accounts for fairness with respect to relevance. However, approach (i) often does not provide a reliable joint estimate of the goodness of the models, as it has two different best models: one for fairness and another for relevance. Approach (ii) is also problematic because these measures tend to be ad-hoc and do not relate well to traditional relevance measures, like NDCG. Motivated by this, we present a new approach for jointly evaluating fairness and relevance in RSs: Distance to Pareto Frontier (DPFR). Given some user-item interaction data, we compute their Pareto frontier for a pair of existing relevance and fairness measures, and then use the distance from the frontier as a measure of the jointly achievable fairness and relevance. Our approach is modular and intuitive as it can be computed with existing measures. Experiments with 4 RS models, 3 re-ranking strategies, and 6 datasets show that existing metrics have inconsistent associations with our Pareto-optimal solution, making DPFR a more robust and theoretically well-founded joint measure for assessing fairness and relevance. Our code: https://github.com/theresiavr/DPFR-recsys-evaluation

Approximate nearest neighbor search (ANNS) is a fundamental building block in information retrieval with graph-based indices being the current state-of-the-art and widely used in the industry. Recent advances in graph-based indices have made it possible to index and search billion-point datasets with high recall and millisecond-level latency on a single commodity machine with an SSD. However, existing graph algorithms for ANNS support only static indices that cannot reflect real-time changes to the corpus required by many key real-world scenarios (e.g. index of sentences in documents, email, or a news index). To overcome this drawback, the current industry practice for manifesting updates into such indices is to periodically re-build these indices, which can be prohibitively expensive. In this paper, we present the first graph-based ANNS index that reflects corpus updates into the index in real-time without compromising on search performance. Using update rules for this index, we design FreshDiskANN, a system that can index over a billion points on a workstation with an SSD and limited memory, and support thousands of concurrent real-time inserts, deletes and searches per second each, while retaining >95% 5-recall@5. This represents a 5-10x reduction in the cost of maintaining freshness in indices when compared to existing methods.

Large language models (LLMs) have demonstrated remarkable performance on single-turn text-to-SQL tasks, but real-world database applications predominantly require multi-turn interactions to handle ambiguous queries, execution errors, and evolving user requirements. Existing multi-turn benchmarks fall short by treating conversation histories as static context or limiting evaluation to read-only operations, failing to reflect production-grade database assistant challenges. We introduce BIRD-INTERACT, a benchmark that restores this realism through: (1) a comprehensive interaction environment coupling each database with a hierarchical knowledge base, metadata files, and a function-driven user simulator, enabling models to solicit clarifications, retrieve knowledge, and recover from errors without human supervision; (2) two evaluation settings consisting of a pre-defined conversational protocol (c-Interact) and an open-ended agentic setting (a-Interact) where models autonomously decide when to query the user simulator or explore the environment; (3) a challenging task suite covering the full CRUD spectrum for business-intelligence and operational use cases, guarded by executable test cases. Each task features ambiguous and follow-up sub-tasks requiring dynamic interaction. The suite comprises BIRD-INTERACT-FULL (600 tasks, up to 11,796 interactions) for comprehensive performance assessment, and BIRD-INTERACT-LITE (300 tasks with simplified databases) for detailed behavioral analysis and rapid method development. Our empirical results highlight BIRD-INTERACT's difficulty: GPT-5 completes only 8.67% of tasks in c-Interact and 17.00% in a-Interact. Analysis via memory grafting and Interaction Test-time Scaling validates the importance of effective interaction for complex, dynamic text-to-SQL tasks.

Learning to rank is a key component of many e-commerce search engines. In learning to rank, one is interested in optimising the global ordering of a list of items according to their utility for users.Popular approaches learn a scoring function that scores items individually (i.e. without the context of other items in the list) by optimising a pointwise, pairwise or listwise loss. The list is then sorted in the descending order of the scores. Possible interactions between items present in the same list are taken into account in the training phase at the loss level. However, during inference, items are scored individually, and possible interactions between them are not considered. In this paper, we propose a context-aware neural network model that learns item scores by applying a self-attention mechanism. The relevance of a given item is thus determined in the context of all other items present in the list, both in training and in inference. We empirically demonstrate significant performance gains of self-attention based neural architecture over Multi-LayerPerceptron baselines, in particular on a dataset coming from search logs of a large scale e-commerce marketplace, Allegro.pl. This effect is consistent across popular pointwise, pairwise and listwise losses.Finally, we report new state-of-the-art results on MSLR-WEB30K, the learning to rank benchmark.

While large-scale human motion capture datasets have advanced human motion generation, modeling and generating dynamic 3D human-object interactions (HOIs) remain challenging due to dataset limitations. Existing datasets often lack extensive, high-quality motion and annotation and exhibit artifacts such as contact penetration, floating, and incorrect hand motions. To address these issues, we introduce InterAct, a large-scale 3D HOI benchmark featuring dataset and methodological advancements. First, we consolidate and standardize 21.81 hours of HOI data from diverse sources, enriching it with detailed textual annotations. Second, we propose a unified optimization framework to enhance data quality by reducing artifacts and correcting hand motions. Leveraging the principle of contact invariance, we maintain human-object relationships while introducing motion variations, expanding the dataset to 30.70 hours. Third, we define six benchmarking tasks and develop a unified HOI generative modeling perspective, achieving state-of-the-art performance. Extensive experiments validate the utility of our dataset as a foundational resource for advancing 3D human-object interaction generation. To support continued research in this area, the dataset is publicly available at https://github.com/wzyabcas/InterAct, and will be actively maintained.

An industrial process includes many devices, variables, and sub-processes that are physically or electronically interconnected. These interconnections imply some level of correlation between different process variables. Since most of the alarms in a process plant are defined on process variables, alarms are also correlated. However, this can be a nuisance to operators, for one fault might trigger a, sometimes large, number of alarms. So, it is essential to find and correct correlated alarms. In this paper, we study different methods and techniques proposed to measure correlation or similarity between alarms. The similarity indices are first analytically calculated and then studied and compared. The results are also validated using Monte-Carlo simulation.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce SOmegaI, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of SOmegaI in the context of a real-world use case.

In the field of eXplainable AI (XAI), robust "blackbox" algorithms such as Convolutional Neural Networks (CNNs) are known for making high prediction performance. However, the ability to explain and interpret these algorithms still require innovation in the understanding of influential and, more importantly, explainable features that directly or indirectly impact the performance of predictivity. A number of methods existing in literature focus on visualization techniques but the concepts of explainability and interpretability still require rigorous definition. In view of the above needs, this paper proposes an interaction-based methodology -- Influence Score (I-score) -- to screen out the noisy and non-informative variables in the images hence it nourishes an environment with explainable and interpretable features that are directly associated to feature predictivity. We apply the proposed method on a real world application in Pneumonia Chest X-ray Image data set and produced state-of-the-art results. We demonstrate how to apply the proposed approach for more general big data problems by improving the explainability and interpretability without sacrificing the prediction performance. The contribution of this paper opens a novel angle that moves the community closer to the future pipelines of XAI problems.

We study the problem of interpreting trained classification models in the setting of linguistic data sets. Leveraging a parse tree, we propose to assign least-squares based importance scores to each word of an instance by exploiting syntactic constituency structure. We establish an axiomatic characterization of these importance scores by relating them to the Banzhaf value in coalitional game theory. Based on these importance scores, we develop a principled method for detecting and quantifying interactions between words in a sentence. We demonstrate that the proposed method can aid in interpretability and diagnostics for several widely-used language models.

We present an elegant and effective approach for addressing limitations in existing multi-label classification models by incorporating interaction matching, a concept shown to be useful for ad-hoc search result ranking. By performing soft n-gram interaction matching, we match labels with natural language descriptions (which are common to have in most multi-labeling tasks). Our approach can be used to enhance existing multi-label classification approaches, which are biased toward frequently-occurring labels. We evaluate our approach on two challenging tasks: automatic medical coding of clinical notes and automatic labeling of entities from software tutorial text. Our results show that our method can yield up to an 11% relative improvement in macro performance, with most of the gains stemming labels that appear infrequently in the training set (i.e., the long tail of labels).

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTIVE, a Morphological cOmpound Target Interaction Graph dataset that comprises Cell Painting features for 11,000 genes and 3,600 compounds along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTIVE accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTIVE resources are available at https://github.com/carpenter-singh-lab/motive.

Cyber threat intelligence (CTI) is being used to search for indicators of attacks that might have compromised an enterprise network for a long time without being discovered. To have a more effective analysis, CTI open standards have incorporated descriptive relationships showing how the indicators or observables are related to each other. However, these relationships are either completely overlooked in information gathering or not used for threat hunting. In this paper, we propose a system, called POIROT, which uses these correlations to uncover the steps of a successful attack campaign. We use kernel audits as a reliable source that covers all causal relations and information flows among system entities and model threat hunting as an inexact graph pattern matching problem. Our technical approach is based on a novel similarity metric which assesses an alignment between a query graph constructed out of CTI correlations and a provenance graph constructed out of kernel audit log records. We evaluate POIROT on publicly released real-world incident reports as well as reports of an adversarial engagement designed by DARPA, including ten distinct attack campaigns against different OS platforms such as Linux, FreeBSD, and Windows. Our evaluation results show that POIROT is capable of searching inside graphs containing millions of nodes and pinpoint the attacks in a few minutes, and the results serve to illustrate that CTI correlations could be used as robust and reliable artifacts for threat hunting.

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications. Investigation of deep learning for HOIs, thus, has become a valuable agenda for the data mining and machine learning communities. As networks of HOIs are expressed mathematically as hypergraphs, hypergraph neural networks (HNNs) have emerged as a powerful tool for representation learning on hypergraphs. Given the emerging trend, we present the first survey dedicated to HNNs, with an in-depth and step-by-step guide. Broadly, the present survey overviews HNN architectures, training strategies, and applications. First, we break existing HNNs down into four design components: (i) input features, (ii) input structures, (iii) message-passing schemes, and (iv) training strategies. Second, we examine how HNNs address and learn HOIs with each of their components. Third, we overview the recent applications of HNNs in recommendation, bioinformatics and medical science, time series analysis, and computer vision. Lastly, we conclude with a discussion on limitations and future directions.

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

Recent work has sought to understand the behavior of neural networks by comparing representations between layers and between different trained models. We examine methods for comparing neural network representations based on canonical correlation analysis (CCA). We show that CCA belongs to a family of statistics for measuring multivariate similarity, but that neither CCA nor any other statistic that is invariant to invertible linear transformation can measure meaningful similarities between representations of higher dimension than the number of data points. We introduce a similarity index that measures the relationship between representational similarity matrices and does not suffer from this limitation. This similarity index is equivalent to centered kernel alignment (CKA) and is also closely connected to CCA. Unlike CCA, CKA can reliably identify correspondences between representations in networks trained from different initializations.

Subgraph matching is vital in knowledge graph (KG) question answering, molecule design, scene graph, code and circuit search, etc. Neural methods have shown promising results for subgraph matching. Our study of recent systems suggests refactoring them into a unified design space for graph matching networks. Existing methods occupy only a few isolated patches in this space, which remains largely uncharted. We undertake the first comprehensive exploration of this space, featuring such axes as attention-based vs. soft permutation-based interaction between query and corpus graphs, aligning nodes vs. edges, and the form of the final scoring network that integrates neural representations of the graphs. Our extensive experiments reveal that judicious and hitherto-unexplored combinations of choices in this space lead to large performance benefits. Beyond better performance, our study uncovers valuable insights and establishes general design principles for neural graph representation and interaction, which may be of wider interest.

AI companionship, where users develop emotional bonds with AI systems, has emerged as a significant pattern with positive but also concerning implications. We introduce Interactions and Machine Attachment Benchmark (INTIMA), a benchmark for evaluating companionship behaviors in language models. Drawing from psychological theories and user data, we develop a taxonomy of 31 behaviors across four categories and 368 targeted prompts. Responses to these prompts are evaluated as companionship-reinforcing, boundary-maintaining, or neutral. Applying INTIMA to Gemma-3, Phi-4, o3-mini, and Claude-4 reveals that companionship-reinforcing behaviors remain much more common across all models, though we observe marked differences between models. Different commercial providers prioritize different categories within the more sensitive parts of the benchmark, which is concerning since both appropriate boundary-setting and emotional support matter for user well-being. These findings highlight the need for more consistent approaches to handling emotionally charged interactions.

A key puzzle in search, ads, and recommendation is that the ranking model can only utilize a small portion of the vastly available user interaction data. As a result, increasing data volume, model size, or computation FLOPs will quickly suffer from diminishing returns. We examined this problem and found that one of the root causes may lie in the so-called ``item-centric'' formulation, which has an unbounded vocabulary and thus uncontrolled model complexity. To mitigate quality saturation, we introduce an alternative formulation named ``user-centric ranking'', which is based on a transposed view of the dyadic user-item interaction data. We show that this formulation has a promising scaling property, enabling us to train better-converged models on substantially larger data sets.

In the field of psychology, traditional assessment methods, such as standardized scales, are frequently critiqued for their static nature, lack of personalization, and reduced participant engagement, while comprehensive counseling evaluations are often inaccessible. The complexity of quantifying psychological traits further limits these methods. Despite advances with large language models (LLMs), many still depend on single-round Question-and-Answer interactions. To bridge this gap, we introduce PsyDI, a personalized and progressively in-depth chatbot designed for psychological measurements, exemplified by its application in the Myers-Briggs Type Indicator (MBTI) framework. PsyDI leverages user-related multi-modal information and engages in customized, multi-turn interactions to provide personalized, easily accessible measurements, while ensuring precise MBTI type determination. To address the challenge of unquantifiable psychological traits, we introduce a novel training paradigm that involves learning the ranking of proxy variables associated with these traits, culminating in a robust score model for MBTI measurements. The score model enables PsyDI to conduct comprehensive and precise measurements through multi-turn interactions within a unified estimation context. Through various experiments, we validate the efficacy of both the score model and the PsyDI pipeline, demonstrating its potential to serve as a general framework for psychological measurements. Furthermore, the online deployment of PsyDI has garnered substantial user engagement, with over 3,000 visits, resulting in the collection of numerous multi-turn dialogues annotated with MBTI types, which facilitates further research.

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate predictions for a range of affinity values associated with ligand-protein interactions on out-of-sample data in a zero-shot setting. Only the SMILES string of the ligand and the amino acid sequence of the protein were used as the model inputs. Our results demonstrate a clear improvement over machine learning (ML) and free-energy perturbation (FEP+) based methods in accurately predicting a range of ligand-protein interaction affinities, which can be leveraged to further accelerate drug discovery campaigns against challenging therapeutic targets.

The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining intermediate interactions between reactants, as well as for identifying final products. It is shown that even a small number of components can lead to a large number of final and intermediate products. Through concrete calculations, a correlation is established between the number of possible chemical equations and the number of reactants. A methodology is proposed for computing all possible chemical equations within a reaction system for arbitrary component ratios, enabling the derivation of all feasible chemical reactions. Additionally, a method is developed for calculating the chemical composition for a fixed set of reactants, allowing for the evaluation of the set of products resulting from all possible chemical interactions given a specified initial composition.

This paper delves into an intricate analysis of the character and consciousness of AI entities, with a particular focus on Chirpers within the AI social network. At the forefront of this research is the introduction of novel testing methodologies, including the Influence index and Struggle Index Test, which offers a fresh lens for evaluating specific facets of AI behavior. The study embarks on a comprehensive exploration of AI behavior, analyzing the effects of diverse settings on Chirper's responses, thereby shedding light on the intricate mechanisms steering AI reactions in different contexts. Leveraging the state-of-the-art BERT model, the research assesses AI's ability to discern its own output, presenting a pioneering approach to understanding self-recognition in AI systems. Through a series of cognitive tests, the study gauges the self-awareness and pattern recognition prowess of Chirpers. Preliminary results indicate that Chirpers exhibit a commendable degree of self-recognition and self-awareness. However, the question of consciousness in these AI entities remains a topic of debate. An intriguing aspect of the research is the exploration of the potential influence of a Chirper's handle or personality type on its performance. While initial findings suggest a possible impact, it isn't pronounced enough to form concrete conclusions. This study stands as a significant contribution to the discourse on AI consciousness, underscoring the imperative for continued research to unravel the full spectrum of AI capabilities and the ramifications they hold for future human-AI interactions.

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

Human-object interaction (HOI) detection aims to comprehend the intricate relationships between humans and objects, predicting <human, action, object> triplets, and serving as the foundation for numerous computer vision tasks. The complexity and diversity of human-object interactions in the real world, however, pose significant challenges for both annotation and recognition, particularly in recognizing interactions within an open world context. This study explores the universal interaction recognition in an open-world setting through the use of Vision-Language (VL) foundation models and large language models (LLMs). The proposed method is dubbed as \textbf{UniHOI}. We conduct a deep analysis of the three hierarchical features inherent in visual HOI detectors and propose a method for high-level relation extraction aimed at VL foundation models, which we call HO prompt-based learning. Our design includes an HO Prompt-guided Decoder (HOPD), facilitates the association of high-level relation representations in the foundation model with various HO pairs within the image. Furthermore, we utilize a LLM (i.e. GPT) for interaction interpretation, generating a richer linguistic understanding for complex HOIs. For open-category interaction recognition, our method supports either of two input types: interaction phrase or interpretive sentence. Our efficient architecture design and learning methods effectively unleash the potential of the VL foundation models and LLMs, allowing UniHOI to surpass all existing methods with a substantial margin, under both supervised and zero-shot settings. The code and pre-trained weights are available at: https://github.com/Caoyichao/UniHOI.

Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs are computationally heavy and have poor scalability to graph sizes. On the other hand, traditional machine learning (ML) approaches, such as gradient-boosted decision trees (GBDTs), are lightweight yet extremely efficient for tabular data. We propose to use PL interaction features along with PL graph-level features in GBDT. We show that this combination outperforms the existing solutions.

We study a new connection between a technical measure called mu-conductance that arises in the study of Markov chains for sampling convex bodies and the network community profile that characterizes size-resolved properties of clusters and communities in social and information networks. The idea of mu-conductance is similar to the traditional graph conductance, but disregards sets with small volume. We derive a sequence of optimization problems including a low-rank semi-definite program from which we can derive a lower bound on the optimal mu-conductance value. These ideas give the first theoretically sound bound on the behavior of the network community profile for a wide range of cluster sizes. The algorithm scales up to graphs with hundreds of thousands of nodes and we demonstrate how our framework validates the predicted structures of real-world graphs.

Open Vocabulary Human-Object Interaction (HOI) detection aims to detect interactions between humans and objects while generalizing to novel interaction classes beyond the training set. Current methods often rely on Vision and Language Models (VLMs) but face challenges due to suboptimal image encoders, as image-level pre-training does not align well with the fine-grained region-level interaction detection required for HOI. Additionally, effectively encoding textual descriptions of visual appearances remains difficult, limiting the model's ability to capture detailed HOI relationships. To address these issues, we propose INteraction-aware Prompting with Concept Calibration (INP-CC), an end-to-end open-vocabulary HOI detector that integrates interaction-aware prompts and concept calibration. Specifically, we propose an interaction-aware prompt generator that dynamically generates a compact set of prompts based on the input scene, enabling selective sharing among similar interactions. This approach directs the model's attention to key interaction patterns rather than generic image-level semantics, enhancing HOI detection. Furthermore, we refine HOI concept representations through language model-guided calibration, which helps distinguish diverse HOI concepts by investigating visual similarities across categories. A negative sampling strategy is also employed to improve inter-modal similarity modeling, enabling the model to better differentiate visually similar but semantically distinct actions. Extensive experimental results demonstrate that INP-CC significantly outperforms state-of-the-art models on the SWIG-HOI and HICO-DET datasets. Code is available at https://github.com/ltttpku/INP-CC.

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

Mathematical researchers, especially those in early-career positions, face critical decisions about topic specialization with limited information about the collaborative environments of different research areas. The aim of this paper is to study how the popularity of a research topic is associated with the structure of that topic's collaboration network, as observed by a suite of measures capturing organizational structure at several scales. We apply these measures to 1,938 algorithmically discovered topics across 121,391 papers sourced from arXiv metadata during the period 2020--2025. Our analysis, which controls for the confounding effects of network size, reveals a structural dichotomy--we find that popular topics organize into modular "schools of thought," while niche topics maintain hierarchical core-periphery structures centered around established experts. This divide is not an artifact of scale, but represents a size-independent structural pattern correlated with popularity. We also document a "constraint reversal": after controlling for size, researchers in popular fields face greater structural constraints on collaboration opportunities, contrary to conventional expectations. Our findings suggest that topic selection is an implicit choice between two fundamentally different collaborative environments, each with distinct implications for a researcher's career. To make these structural patterns transparent to the research community, we developed the Math Research Compass (https://mathresearchcompass.com), an interactive platform providing data on topic popularity and collaboration patterns across mathematical topics.

In this study, we propose a novel graph-based approach to model, analyze and comprehend user interactions within a social media platform based on post-comment relationship. We construct a user interaction graph from social media data and analyze it to gain insights into community dynamics, user behavior, and content preferences. Our investigation reveals that while 56.05% of the active users are strongly connected within the community, only 0.8% of them significantly contribute to its dynamics. Moreover, we observe temporal variations in community activity, with certain periods experiencing heightened engagement. Additionally, our findings highlight a correlation between user activity and popularity showing that more active users are generally more popular. Alongside these, a preference for positive and informative content is also observed where 82.41% users preferred positive and informative content. Overall, our study provides a comprehensive framework for understanding and managing online communities, leveraging graph-based techniques to gain valuable insights into user behavior and community dynamics.

Measuring diversity accurately is important for many scientific fields, including machine learning (ML), ecology, and chemistry. The Vendi Score was introduced as a generic similarity-based diversity metric that extends the Hill number of order q=1 by leveraging ideas from quantum statistical mechanics. Contrary to many diversity metrics in ecology, the Vendi Score accounts for similarity and does not require knowledge of the prevalence of the categories in the collection to be evaluated for diversity. However, the Vendi Score treats each item in a given collection with a level of sensitivity proportional to the item's prevalence. This is undesirable in settings where there is a significant imbalance in item prevalence. In this paper, we extend the other Hill numbers using similarity to provide flexibility in allocating sensitivity to rare or common items. This leads to a family of diversity metrics -- Vendi scores with different levels of sensitivity -- that can be used in a variety of applications. We study the properties of the scores in a synthetic controlled setting where the ground truth diversity is known. We then test their utility in improving molecular simulations via Vendi Sampling. Finally, we use the Vendi scores to better understand the behavior of image generative models in terms of memorization, duplication, diversity, and sample quality.

Empathy is a cognitive and emotional reaction to an observed situation of others. Empathy has recently attracted interest because it has numerous applications in psychology and AI, but it is unclear how different forms of empathy (e.g., self-report vs counterpart other-report, concern vs. distress) interact with other affective phenomena or demographics like gender and age. To better understand this, we created the {\it Empathic Conversations} dataset of annotated negative, empathy-eliciting dialogues in which pairs of participants converse about news articles. People differ in their perception of the empathy of others. These differences are associated with certain characteristics such as personality and demographics. Hence, we collected detailed characterization of the participants' traits, their self-reported empathetic response to news articles, their conversational partner other-report, and turn-by-turn third-party assessments of the level of self-disclosure, emotion, and empathy expressed. This dataset is the first to present empathy in multiple forms along with personal distress, emotion, personality characteristics, and person-level demographic information. We present baseline models for predicting some of these features from conversations.

Recent interest in human-AI interactions in agent-based modeling and simulation (ABMS) has grown rapidly due to the widespread utilization of large language models (LLMs). ABMS is an intelligent approach that simulates autonomous agents' behaviors within a defined environment to research emergent phenomena. Integrating LLMs into ABMS enables natural language interaction between humans and models. Meanwhile, it introduces new challenges that rely on human interaction to address. Human involvement can assist ABMS in adapting to flexible and complex research demands. However, systematic reviews of interactions that examine how humans and AI interact in ABMS are lacking. In this paper, we investigate existing works and propose a novel taxonomy to categorize the interactions derived from them. Specifically, human users refer to researchers who utilize ABMS tools to conduct their studies in our survey. We decompose interactions into five dimensions: the goals that users want to achieve (Why), the phases that users are involved (When), the components of the system (What), the roles of users (Who), and the means of interactions (How). Our analysis summarizes the findings that reveal existing interaction patterns. They provide researchers who develop interactions with comprehensive guidance on how humans and AI interact. We further discuss the unexplored interactions and suggest future research directions.

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

This work addresses a new challenge of understanding human nonverbal interaction in social contexts. Nonverbal signals pervade virtually every communicative act. Our gestures, facial expressions, postures, gaze, even physical appearance all convey messages, without anything being said. Despite their critical role in social life, nonverbal signals receive very limited attention as compared to the linguistic counterparts, and existing solutions typically examine nonverbal cues in isolation. Our study marks the first systematic effort to enhance the interpretation of multifaceted nonverbal signals. First, we contribute a novel large-scale dataset, called NVI, which is meticulously annotated to include bounding boxes for humans and corresponding social groups, along with 22 atomic-level nonverbal behaviors under five broad interaction types. Second, we establish a new task NVI-DET for nonverbal interaction detection, which is formalized as identifying triplets in the form <individual, group, interaction> from images. Third, we propose a nonverbal interaction detection hypergraph (NVI-DEHR), a new approach that explicitly models high-order nonverbal interactions using hypergraphs. Central to the model is a dual multi-scale hypergraph that adeptly addresses individual-to-individual and group-to-group correlations across varying scales, facilitating interactional feature learning and eventually improving interaction prediction. Extensive experiments on NVI show that NVI-DEHR improves various baselines significantly in NVI-DET. It also exhibits leading performance on HOI-DET, confirming its versatility in supporting related tasks and strong generalization ability. We hope that our study will offer the community new avenues to explore nonverbal signals in more depth.

Motivation: Emerging drug-drug interaction (DDI) prediction is crucial for new drugs but is hindered by distribution changes between known and new drugs in real-world scenarios. Current evaluation often neglects these changes, relying on unrealistic i.i.d. split due to the absence of drug approval data. Results: We propose DDI-Ben, a benchmarking framework for emerging DDI prediction under distribution changes. DDI-Ben introduces a distribution change simulation framework that leverages distribution changes between drug sets as a surrogate for real-world distribution changes of DDIs, and is compatible with various drug split strategies. Through extensive benchmarking on ten representative methods, we show that most existing approaches suffer substantial performance degradation under distribution changes. Our analysis further indicates that large language model (LLM) based methods and the integration of drug-related textual information offer promising robustness against such degradation. To support future research, we release the benchmark datasets with simulated distribution changes. Overall, DDI-Ben highlights the importance of explicitly addressing distribution changes and provides a foundation for developing more resilient methods for emerging DDI prediction. Availability and implementation: Our code and data are available at https://github.com/LARS-research/DDI-Bench.

As AI systems enter into a growing number of societal domains, these systems increasingly shape and are shaped by user preferences, opinions, and behaviors. However, the design of AI systems rarely accounts for how AI and users shape one another. In this position paper, we argue for the development of formal interaction models which mathematically specify how AI and users shape one another. Formal interaction models can be leveraged to (1) specify interactions for implementation, (2) monitor interactions through empirical analysis, (3) anticipate societal impacts via counterfactual analysis, and (4) control societal impacts via interventions. The design space of formal interaction models is vast, and model design requires careful consideration of factors such as style, granularity, mathematical complexity, and measurability. Using content recommender systems as a case study, we critically examine the nascent literature of formal interaction models with respect to these use-cases and design axes. More broadly, we call for the community to leverage formal interaction models when designing, evaluating, or auditing any AI system which interacts with users.

Combination therapies have become the standard of care for diseases such as cancer, tuberculosis, malaria and HIV. However, the combinatorial set of available multi-drug treatments creates a challenge in identifying effective combination therapies available in a situation. To assist medical professionals in identifying beneficial drug-combinations, we construct an expert-annotated dataset for extracting information about the efficacy of drug combinations from the scientific literature. Beyond its practical utility, the dataset also presents a unique NLP challenge, as the first relation extraction dataset consisting of variable-length relations. Furthermore, the relations in this dataset predominantly require language understanding beyond the sentence level, adding to the challenge of this task. We provide a promising baseline model and identify clear areas for further improvement. We release our dataset, code, and baseline models publicly to encourage the NLP community to participate in this task.

Neural information retrieval (IR) has greatly advanced search and other knowledge-intensive language tasks. While many neural IR methods encode queries and documents into single-vector representations, late interaction models produce multi-vector representations at the granularity of each token and decompose relevance modeling into scalable token-level computations. This decomposition has been shown to make late interaction more effective, but it inflates the space footprint of these models by an order of magnitude. In this work, we introduce ColBERTv2, a retriever that couples an aggressive residual compression mechanism with a denoised supervision strategy to simultaneously improve the quality and space footprint of late interaction. We evaluate ColBERTv2 across a wide range of benchmarks, establishing state-of-the-art quality within and outside the training domain while reducing the space footprint of late interaction models by 6--10times.

Graph retrieval based on subgraph isomorphism has several real-world applications such as scene graph retrieval, molecular fingerprint detection and circuit design. Roy et al. [35] proposed IsoNet, a late interaction model for subgraph matching, which first computes the node and edge embeddings of each graph independently of paired graph and then computes a trainable alignment map. Here, we present IsoNet++, an early interaction graph neural network (GNN), based on several technical innovations. First, we compute embeddings of all nodes by passing messages within and across the two input graphs, guided by an injective alignment between their nodes. Second, we update this alignment in a lazy fashion over multiple rounds. Within each round, we run a layerwise GNN from scratch, based on the current state of the alignment. After the completion of one round of GNN, we use the last-layer embeddings to update the alignments, and proceed to the next round. Third, IsoNet++ incorporates a novel notion of node-pair partner interaction. Traditional early interaction computes attention between a node and its potential partners in the other graph, the attention then controlling messages passed across graphs. In contrast, we consider node pairs (not single nodes) as potential partners. Existence of an edge between the nodes in one graph and non-existence in the other provide vital signals for refining the alignment. Our experiments on several datasets show that the alignments get progressively refined with successive rounds, resulting in significantly better retrieval performance than existing methods. We demonstrate that all three innovations contribute to the enhanced accuracy. Our code and datasets are publicly available at https://github.com/structlearning/isonetpp.

Reconstructing interacting hands from monocular images is indispensable in AR/VR applications. Most existing solutions rely on the accurate localization of each skeleton joint. However, these methods tend to be unreliable due to the severe occlusion and confusing similarity among adjacent hand parts. This also defies human perception because humans can quickly imitate an interaction pattern without localizing all joints. Our key idea is to first construct a two-hand interaction prior and recast the interaction reconstruction task as the conditional sampling from the prior. To expand more interaction states, a large-scale multimodal dataset with physical plausibility is proposed. Then a VAE is trained to further condense these interaction patterns as latent codes in a prior distribution. When looking for image cues that contribute to interaction prior sampling, we propose the interaction adjacency heatmap (IAH). Compared with a joint-wise heatmap for localization, IAH assigns denser visible features to those invisible joints. Compared with an all-in-one visible heatmap, it provides more fine-grained local interaction information in each interaction region. Finally, the correlations between the extracted features and corresponding interaction codes are linked by the ViT module. Comprehensive evaluations on benchmark datasets have verified the effectiveness of this framework. The code and dataset are publicly available at https://github.com/binghui-z/InterPrior_pytorch

Hypergraphs offer a powerful framework for modeling higher-order interactions that traditional pairwise graphs cannot fully capture. However, practical constraints often lead to their simplification into projected graphs, resulting in substantial information loss and ambiguity in representing higher-order relationships. In this work, we propose MARIOH, a supervised approach for reconstructing the original hypergraph from its projected graph by leveraging edge multiplicity. To overcome the difficulties posed by the large search space, MARIOH integrates several key ideas: (a) identifying provable size-2 hyperedges, which reduces the candidate search space, (b) predicting the likelihood of candidates being hyperedges by utilizing both structural and multiplicity-related features, and (c) not only targeting promising hyperedge candidates but also examining less confident ones to explore alternative possibilities. Together, these ideas enable MARIOH to efficiently and effectively explore the search space. In our experiments using 10 real-world datasets, MARIOH achieves up to 74.51% higher reconstruction accuracy compared to state-of-the-art methods.

The recent developments in Large Language Models (LLM), mark a significant moment in the research and development of social interactions with artificial agents. These agents are widely deployed in a variety of settings, with potential impact on users. However, the study of social interactions with agents powered by LLM is still emerging, limited by access to the technology and to data, the absence of standardised interfaces, and challenges to establishing controlled experimental setups using the currently available business-oriented platforms. To answer these gaps, we developed LEXI, LLMs Experimentation Interface, an open-source tool enabling the deployment of artificial agents powered by LLM in social interaction behavioural experiments. Using a graphical interface, LEXI allows researchers to build agents, and deploy them in experimental setups along with forms and questionnaires while collecting interaction logs and self-reported data. The outcomes of usability testing indicate LEXI's broad utility, high usability and minimum mental workload requirement, with distinctive benefits observed across disciplines. A proof-of-concept study exploring the tool's efficacy in evaluating social HAIs was conducted, resulting in high-quality data. A comparison of empathetic versus neutral agents indicated that people perceive empathetic agents as more social, and write longer and more positive messages towards them.

Relevance and fairness are two major objectives of recommender systems (RSs). Recent work proposes measures of RS fairness that are either independent from relevance (fairness-only) or conditioned on relevance (joint measures). While fairness-only measures have been studied extensively, we look into whether joint measures can be trusted. We collect all joint evaluation measures of RS relevance and fairness, and ask: How much do they agree with each other? To what extent do they agree with relevance/fairness measures? How sensitive are they to changes in rank position, or to increasingly fair and relevant recommendations? We empirically study for the first time the behaviour of these measures across 4 real-world datasets and 4 recommenders. We find that most of these measures: i) correlate weakly with one another and even contradict each other at times; ii) are less sensitive to rank position changes than relevance- and fairness-only measures, meaning that they are less granular than traditional RS measures; and iii) tend to compress scores at the low end of their range, meaning that they are not very expressive. We counter the above limitations with a set of guidelines on the appropriate usage of such measures, i.e., they should be used with caution due to their tendency to contradict each other and of having a very small empirical range.

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

Creativity has long been considered one of the most difficult aspect of human intelligence for AI to mimic. However, the rise of Large Language Models (LLMs), like ChatGPT, has raised questions about whether AI can match or even surpass human creativity. We present CREATIVITY INDEX as the first step to quantify the linguistic creativity of a text by reconstructing it from existing text snippets on the web. CREATIVITY INDEX is motivated by the hypothesis that the seemingly remarkable creativity of LLMs may be attributable in large part to the creativity of human-written texts on the web. To compute CREATIVITY INDEX efficiently, we introduce DJ SEARCH, a novel dynamic programming algorithm that can search verbatim and near-verbatim matches of text snippets from a given document against the web. Experiments reveal that the CREATIVITY INDEX of professional human authors is on average 66.2% higher than that of LLMs, and that alignment reduces the CREATIVITY INDEX of LLMs by an average of 30.1%. In addition, we find that distinguished authors like Hemingway exhibit measurably higher CREATIVITY INDEX compared to other human writers. Finally, we demonstrate that CREATIVITY INDEX can be used as a surprisingly effective criterion for zero-shot machine text detection, surpassing the strongest existing zero-shot system, DetectGPT, by a significant margin of 30.2%, and even outperforming the strongest supervised system, GhostBuster, in five out of six domains.

Recent sequential recommendation models rely increasingly on consecutive short-term user-item interaction sequences to model user interests. These approaches have, however, raised concerns about both short- and long-term interests. (1) {\it short-term}: interaction sequences may not result from a monolithic interest, but rather from several intertwined interests, even within a short period of time, resulting in their failures to model skip behaviors; (2) {\it long-term}: interaction sequences are primarily observed sparsely at discrete intervals, other than consecutively over the long run. This renders difficulty in inferring long-term interests, since only discrete interest representations can be derived, without taking into account interest dynamics across sequences. In this study, we address these concerns by learning (1) multi-scale representations of short-term interests; and (2) dynamics-aware representations of long-term interests. To this end, we present an Interest Dynamics modeling framework using generative Neural Processes, coined IDNP, to model user interests from a functional perspective. IDNP learns a global interest function family to define each user's long-term interest as a function instantiation, manifesting interest dynamics through function continuity. Specifically, IDNP first encodes each user's short-term interactions into multi-scale representations, which are then summarized as user context. By combining latent global interest with user context, IDNP then reconstructs long-term user interest functions and predicts interactions at upcoming query timestep. Moreover, IDNP can model such interest functions even when interaction sequences are limited and non-consecutive. Extensive experiments on four real-world datasets demonstrate that our model outperforms state-of-the-arts on various evaluation metrics.

Providing personalized recommendations in an environment where items exhibit ephemerality and temporal relevancy (e.g. in social media) presents a few unique challenges: (1) inductively understanding ephemeral appeal for items in a setting where new items are created frequently, (2) adapting to trends within engagement patterns where items may undergo temporal shifts in relevance, (3) accurately modeling user preferences over this item space where users may express multiple interests. In this work we introduce MiCRO, a generative statistical framework that models multi-interest user preferences and temporal multi-interest item representations. Our framework is specifically formulated to adapt to both new items and temporal patterns of engagement. MiCRO demonstrates strong empirical performance on candidate retrieval experiments performed on two large scale user-item datasets: (1) an open-source temporal dataset of (User, User) follow interactions and (2) a temporal dataset of (User, Tweet) favorite interactions which we will open-source as an additional contribution to the community.

Feature interaction has long been a cornerstone of ranking models in large-scale recommender systems due to its proven effectiveness in capturing complex dependencies among features. However, existing feature interaction strategies face two critical challenges in industrial applications: (1) The vast number of categorical and sequential features makes exhaustive interaction computationally prohibitive, often resulting in optimization difficulties. (2) Real-world recommender systems typically involve multiple prediction objectives, yet most current approaches apply feature interaction modules prior to the multi-task learning layers. This late-fusion design overlooks task-specific feature dependencies and inherently limits the capacity of multi-task modeling. To address these limitations, we propose the Information Flow Network (INFNet), a task-aware architecture designed for large-scale recommendation scenarios. INFNet distinguishes features into three token types, categorical tokens, sequence tokens, and task tokens, and introduces a novel dual-flow design comprising heterogeneous and homogeneous alternating information blocks. For heterogeneous information flow, we employ a cross-attention mechanism with proxy that facilitates efficient cross-modal token interaction with balanced computational cost. For homogeneous flow, we design type-specific Proxy Gated Units (PGUs) to enable fine-grained intra-type feature processing. Extensive experiments on multiple offline benchmarks confirm that INFNet achieves state-of-the-art performance. Moreover, INFNet has been successfully deployed in a commercial online advertising system, yielding significant gains of +1.587% in Revenue (REV) and +1.155% in Click-Through Rate (CTR).

Despite the recent successes of vanilla Graph Neural Networks (GNNs) on many tasks, their foundation on pairwise interaction networks inherently limits their capacity to discern latent higher-order interactions in complex systems. To bridge this capability gap, we propose a novel approach exploiting the rich mathematical theory of simplicial complexes (SCs) - a robust tool for modeling higher-order interactions. Current SC-based GNNs are burdened by high complexity and rigidity, and quantifying higher-order interaction strengths remains challenging. Innovatively, we present a higher-order Flower-Petals (FP) model, incorporating FP Laplacians into SCs. Further, we introduce a Higher-order Graph Convolutional Network (HiGCN) grounded in FP Laplacians, capable of discerning intrinsic features across varying topological scales. By employing learnable graph filters, a parameter group within each FP Laplacian domain, we can identify diverse patterns where the filters' weights serve as a quantifiable measure of higher-order interaction strengths. The theoretical underpinnings of HiGCN's advanced expressiveness are rigorously demonstrated. Additionally, our empirical investigations reveal that the proposed model accomplishes state-of-the-art (SOTA) performance on a range of graph tasks and provides a scalable and flexible solution to explore higher-order interactions in graphs.

OpenAI's ChatGPT Atlas introduces new capabilities for web interaction, enabling the model to analyze webpages, process user intents, and execute cursor and keyboard inputs directly within the browser. While its capacity for information retrieval tasks has been demonstrated, its performance in dynamic, interactive environments remains less explored. In this study, we conduct an early evaluation of Atlas's web interaction capabilities using browser-based games as test scenarios, including Google's T-Rex Runner, Sudoku, Flappy Bird, and Stein.world. We employ in-game performance scores as quantitative metrics to assess performance across different task types. Our results show that Atlas performs strongly in logical reasoning tasks like Sudoku, completing puzzles significantly faster than human baselines, but struggles substantially in real-time games requiring precise timing and motor control, often failing to progress beyond initial obstacles. These findings suggest that while Atlas demonstrates capable analytical processing, there remain notable limitations in dynamic web environments requiring real-time interaction. The website of our project can be found at https://atlas-game-eval.github.io.

Current generative AI models like ChatGPT, Claude, and Gemini are widely used for knowledge dissemination, task decomposition, and creative thinking. However, their linear interaction methods often force users to repeatedly compare and copy contextual information when handling complex tasks, increasing cognitive load and operational costs. Moreover, the ambiguity in model responses requires users to refine and simplify the information further. To address these issues, we developed "Mindalogue", a system using a non-linear interaction model based on "nodes + canvas" to enhance user efficiency and freedom while generating structured responses. A formative study with 11 users informed the design of Mindalogue, which was then evaluated through a study with 16 participants. The results showed that Mindalogue significantly reduced task steps and improved users' comprehension of complex information. This study highlights the potential of non-linear interaction in improving AI tool efficiency and user experience in the HCI field.

We introduce a dynamic benchmarking system for conversational agents that evaluates their performance through a single, simulated, and lengthy userleftrightarrowagent interaction. The interaction is a conversation between the user and agent, where multiple tasks are introduced and then undertaken concurrently. We context switch regularly to interleave the tasks, which constructs a realistic testing scenario in which we assess the Long-Term Memory, Continual Learning, and Information Integration capabilities of the agents. Results from both proprietary and open-source Large-Language Models show that LLMs in general perform well on single-task interactions, but they struggle on the same tasks when they are interleaved. Notably, short-context LLMs supplemented with an LTM system perform as well as or better than those with larger contexts. Our benchmark suggests that there are other challenges for LLMs responding to more natural interactions that contemporary benchmarks have heretofore not been able to capture.

We present an evaluation framework for interactive dialogue assessment in the context of English as a Second Language (ESL) speakers. Our framework collects dialogue-level interactivity labels (e.g., topic management; 4 labels in total) and micro-level span features (e.g., backchannels; 17 features in total). Given our annotated data, we study how the micro-level features influence the (higher level) interactivity quality of ESL dialogues by constructing various machine learning-based models. Our results demonstrate that certain micro-level features strongly correlate with interactivity quality, like reference word (e.g., she, her, he), revealing new insights about the interaction between higher-level dialogue quality and lower-level linguistic signals. Our framework also provides a means to assess ESL communication, which is useful for language assessment.

Understanding the origins of militarized conflict is a complex, yet important undertaking. Existing research seeks to build this understanding by considering bi-lateral relationships between entity pairs (dyadic causes) and multi-lateral relationships among multiple entities (systemic causes). The aim of this work is to compare these two causes in terms of how they correlate with conflict between two entities. We do this by devising a set of textual and graph-based features which represent each of the causes. The features are extracted from Wikipedia and modeled as a large graph. Nodes in this graph represent entities connected by labeled edges representing ally or enemy-relationships. This allows casting the problem as an edge classification task, which we term dyad classification. We propose and evaluate classifiers to determine if a particular pair of entities are allies or enemies. Our results suggest that our systemic features might be slightly better correlates of conflict. Further, we find that Wikipedia articles of allies are semantically more similar than enemies.

Owing to the unprecedented capability in semantic understanding and logical reasoning, the pre-trained large language models (LLMs) have shown fantastic potential in developing the next-generation recommender systems (RSs). However, the static index paradigm adopted by current methods greatly restricts the utilization of LLMs capacity for recommendation, leading to not only the insufficient alignment between semantic and collaborative knowledge, but also the neglect of high-order user-item interaction patterns. In this paper, we propose Twin-Tower Dynamic Semantic Recommender (TTDS), the first generative RS which adopts dynamic semantic index paradigm, targeting at resolving the above problems simultaneously. To be more specific, we for the first time contrive a dynamic knowledge fusion framework which integrates a twin-tower semantic token generator into the LLM-based recommender, hierarchically allocating meaningful semantic index for items and users, and accordingly predicting the semantic index of target item. Furthermore, a dual-modality variational auto-encoder is proposed to facilitate multi-grained alignment between semantic and collaborative knowledge. Eventually, a series of novel tuning tasks specially customized for capturing high-order user-item interaction patterns are proposed to take advantages of user historical behavior. Extensive experiments across three public datasets demonstrate the superiority of the proposed methodology in developing LLM-based generative RSs. The proposed TTDS recommender achieves an average improvement of 19.41% in Hit-Rate and 20.84% in NDCG metric, compared with the leading baseline methods.

Standardized and quantified evaluation of machine behaviors is a crux of understanding LLMs. In this study, we draw inspiration from psychometric studies by leveraging human personality theory as a tool for studying machine behaviors. Originating as a philosophical quest for human behaviors, the study of personality delves into how individuals differ in thinking, feeling, and behaving. Toward building and understanding human-like social machines, we are motivated to ask: Can we assess machine behaviors by leveraging human psychometric tests in a principled and quantitative manner? If so, can we induce a specific personality in LLMs? To answer these questions, we introduce the Machine Personality Inventory (MPI) tool for studying machine behaviors; MPI follows standardized personality tests, built upon the Big Five Personality Factors (Big Five) theory and personality assessment inventories. By systematically evaluating LLMs with MPI, we provide the first piece of evidence demonstrating the efficacy of MPI in studying LLMs behaviors. We further devise a Personality Prompting (P^2) method to induce LLMs with specific personalities in a controllable way, capable of producing diverse and verifiable behaviors. We hope this work sheds light on future studies by adopting personality as the essential indicator for various downstream tasks, and could further motivate research into equally intriguing human-like machine behaviors.

This paper challenges the recent paradigm in atomic property prediction that links progress to growing dataset sizes and computational resources. We show that pretraining on a carefully selected, task-relevant dataset can match or even surpass large-scale pretraining, while using as little as 1/24th of the computational cost. We introduce the Chemical Similarity Index (CSI), a novel metric inspired by computer vision's Fr\'echet Inception Distance, for molecular graphs which quantifies the alignment between upstream pretraining datasets and downstream tasks. By selecting the most relevant dataset with minimal CSI distance, we show that models pretrained on a smaller, focused dataset consistently outperform those pretrained on massive, mixed datasets such as JMP, even when those larger datasets include the relevant dataset. Counterintuitively, we also find that indiscriminately adding more data can degrade model performance when the additional data poorly aligns with the task at hand. Our findings highlight that quality often outperforms quantity in pretraining for atomic property prediction.

Large-scale text-to-image (T2I) diffusion models have showcased incredible capabilities in generating coherent images based on textual descriptions, enabling vast applications in content generation. While recent advancements have introduced control over factors such as object localization, posture, and image contours, a crucial gap remains in our ability to control the interactions between objects in the generated content. Well-controlling interactions in generated images could yield meaningful applications, such as creating realistic scenes with interacting characters. In this work, we study the problems of conditioning T2I diffusion models with Human-Object Interaction (HOI) information, consisting of a triplet label (person, action, object) and corresponding bounding boxes. We propose a pluggable interaction control model, called InteractDiffusion that extends existing pre-trained T2I diffusion models to enable them being better conditioned on interactions. Specifically, we tokenize the HOI information and learn their relationships via interaction embeddings. A conditioning self-attention layer is trained to map HOI tokens to visual tokens, thereby conditioning the visual tokens better in existing T2I diffusion models. Our model attains the ability to control the interaction and location on existing T2I diffusion models, which outperforms existing baselines by a large margin in HOI detection score, as well as fidelity in FID and KID. Project page: https://jiuntian.github.io/interactdiffusion.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

The widespread availability of large language models (LLMs), such as ChatGPT, has significantly impacted education, raising both opportunities and challenges. Students can frequently interact with LLM-powered, interactive learning tools, but their usage patterns need to be analyzed to ensure ethical usage of these tools. To better understand how students interact with LLMs in an academic setting, we introduce StudyChat, a publicly available dataset capturing real-world student interactions with an LLM-powered tutoring chatbot in a semester-long, university-level artificial intelligence (AI) course. We deploy a web application that replicates ChatGPT's core functionalities, and use it to log student interactions with the LLM while working on programming assignments. We collect 1,197 conversations, which we annotate using a dialogue act labeling schema inspired by observed interaction patterns and prior research. Additionally, we analyze these interactions, highlight behavioral trends, and analyze how specific usage patterns relate to course outcomes. StudyChat provides a rich resource for the learning sciences and AI in education communities, enabling further research into the evolving role of LLMs in education.

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way for creating and advancing innovative medications applicable in practical settings. However, existing DDI prediction models continue to face challenges related to generalization in extreme cases, robust feature extraction, and real-life application possibilities. We aim to address these challenges by leveraging the effectiveness of context-aware deep graph learning by introducing a novel framework named CADGL. Based on a customized variational graph autoencoder (VGAE), we capture critical structural and physio-chemical information using two context preprocessors for feature extraction from two different perspectives: local neighborhood and molecular context, in a heterogeneous graphical structure. Our customized VGAE consists of a graph encoder, a latent information encoder, and an MLP decoder. CADGL surpasses other state-of-the-art DDI prediction models, excelling in predicting clinically valuable novel DDIs, supported by rigorous case studies.

We propose a methodology that allows communication with Piping and Instrumentation Diagrams (P&IDs) using natural language. In particular, we represent P&IDs through the DEXPI data model as labeled property graphs and integrate them with Large Language Models (LLMs). The approach consists of three main parts: 1) P&IDs are cast into a graph representation from the DEXPI format using our pyDEXPI Python package. 2) A tool for generating P&ID knowledge graphs from pyDEXPI. 3) Integration of the P&ID knowledge graph to LLMs using graph-based retrieval augmented generation (graph-RAG). This approach allows users to communicate with P&IDs using natural language. It extends LLM's ability to retrieve contextual data from P&IDs and mitigate hallucinations. Leveraging the LLM's large corpus, the model is also able to interpret process information in PIDs, which could help engineers in their daily tasks. In the future, this work will also open up opportunities in the context of other generative Artificial Intelligence (genAI) solutions on P&IDs, and AI-assisted HAZOP studies.

With the availability of various instruction datasets, a pivotal challenge is how to effectively select and integrate these instructions to fine-tune large language models (LLMs). Previous research mainly focuses on selecting individual high-quality instructions. However, these works overlooked the joint interactions and dependencies between different categories of instructions, leading to suboptimal selection strategies. Moreover, the nature of these interaction patterns remains largely unexplored, let alone optimize the instruction set with regard to them. To fill these gaps, in this paper, we: (1) systemically investigate interaction and dependency patterns between different categories of instructions, (2) manage to optimize the instruction set concerning the interaction patterns using a linear programming-based method, and optimize the learning schema of SFT using an instruction dependency taxonomy guided curriculum learning. Experimental results across different LLMs demonstrate improved performance over strong baselines on widely adopted benchmarks.

Recommendation foundation model utilizes large language models (LLM) for recommendation by converting recommendation tasks into natural language tasks. It enables generative recommendation which directly generates the item(s) to recommend rather than calculating a ranking score for each and every candidate item in traditional recommendation models, simplifying the recommendation pipeline from multi-stage filtering to single-stage filtering. To avoid generating excessively long text and hallucinated recommendation when deciding which item(s) to recommend, creating LLM-compatible item IDs to uniquely identify each item is essential for recommendation foundation models. In this study, we systematically examine the item indexing problem for recommendation foundation models, using P5 as an example of backbone model. To emphasize the importance of item indexing, we first discuss the issues of several trivial item indexing methods, such as independent indexing, title indexing, and random indexing. We then propose four simple yet effective solutions, including sequential indexing, collaborative indexing, semantic (content-based) indexing, and hybrid indexing. Our study highlights the significant influence of item indexing methods on the performance of LLM-based recommendation, and our results on real-world datasets validate the effectiveness of our proposed solutions. The research also demonstrates how recent advances on language modeling and traditional IR principles such as indexing can help each other for better learning and inference.

In this paper, we primarily address the issue of dialogue-form context query within the interactive text-to-image retrieval task. Our methodology, PlugIR, actively utilizes the general instruction-following capability of LLMs in two ways. First, by reformulating the dialogue-form context, we eliminate the necessity of fine-tuning a retrieval model on existing visual dialogue data, thereby enabling the use of any arbitrary black-box model. Second, we construct the LLM questioner to generate non-redundant questions about the attributes of the target image, based on the information of retrieval candidate images in the current context. This approach mitigates the issues of noisiness and redundancy in the generated questions. Beyond our methodology, we propose a novel evaluation metric, Best log Rank Integral (BRI), for a comprehensive assessment of the interactive retrieval system. PlugIR demonstrates superior performance compared to both zero-shot and fine-tuned baselines in various benchmarks. Additionally, the two methodologies comprising PlugIR can be flexibly applied together or separately in various situations. Our codes are available at https://github.com/Saehyung-Lee/PlugIR.

Large language models (LLMs) have demonstrated impressive capabilities in various natural language processing tasks. Despite this, their application to information retrieval (IR) tasks is still challenging due to the infrequent occurrence of many IR-specific concepts in natural language. While prompt-based methods can provide task descriptions to LLMs, they often fall short in facilitating comprehensive understanding and execution of IR tasks, thereby limiting LLMs' applicability. To address this gap, in this work, we explore the potential of instruction tuning to enhance LLMs' proficiency in IR tasks. We introduce a novel instruction tuning dataset, INTERS, encompassing 21 tasks across three fundamental IR categories: query understanding, document understanding, and query-document relationship understanding. The data are derived from 43 distinct datasets with manually written templates. Our empirical results reveal that INTERS significantly boosts the performance of various publicly available LLMs, such as LLaMA, Mistral, and Phi, in search-related tasks. Furthermore, we conduct a comprehensive analysis to ascertain the effects of base model selection, instruction design, volume of instructions, and task variety on performance. We make our dataset and the models fine-tuned on it publicly accessible at https://github.com/DaoD/INTERS.

Diverse evaluation benchmarks play a crucial role to assess a wide range of capabilities of large language models (LLM). Although plenty of endeavors have been dedicated to building valuable benchmarks, there is still little work aiming at evaluating the capability of LLM in multistep interactive environments. Noticing that LLM requires a text representation of the environment observations for interaction, we choose to fill such a blank by building a novel benchmark based on the information user interface (InfoUI). InfoUI consists of rich text contents and can be represented in some text formats, thus is suitable for the assessment of interaction ability of LLM. Additionally, the complex structures of InfoUI can further raise a challenge for LLM to understand structured texts rather than plain texts. An interaction platform is always used to evaluate an agent, however, there is still a lack of a satisfactory interaction platform dedicated to InfoUI. Consequently, we propose to build a novel easily-extendable, adaptable, and close-to-reality interaction platform, Mobile-Env, to provide a base for an appropriate benchmark. Based on Mobile-Env, an InfoUI task set WikiHow is then built to establish a benchmark for the multistep interaction capability of LLM in structured text-based environments. Agents based on a series of LLMs are tested on the task set to obtain an insight into the potential and challenge of LLM for InfoUI interaction. It is sincerely welcome that the community contribute new environments and new task sets for Mobile-Env to provide better test benchmarks and facilitate the development of the corresponding domains.

This study explores the relationship between textual features and Information Engagement (IE) on digital platforms. It highlights the impact of computational linguistics and analytics on user interaction. The READ model is introduced to quantify key predictors like representativeness, ease of use, affect, and distribution, which forecast engagement levels. The model's effectiveness is validated through AB testing and randomized trials, showing strong predictive performance in participation (accuracy: 0.94), perception (accuracy: 0.85), perseverance (accuracy: 0.81), and overall IE (accuracy: 0.97). While participation metrics are strong, perception and perseverance show slightly lower recall and F1-scores, indicating some challenges. The study demonstrates that modifying text based on the READ model's insights leads to significant improvements. For example, increasing representativeness and positive affect boosts selection rates by 11 percent, raises evaluation averages from 3.98 to 4.46, and improves retention rates by 11 percent. These findings highlight the importance of linguistic factors in IE, providing a framework for enhancing digital text engagement. The research offers practical strategies applicable to fields like education, health, and media.

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs are mainly good at leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both of which are crucial for determining molecular properties. To tackle this issue, we propose a method that implicitly projects all original atoms into a few Neural Atoms, which abstracts the collective information of atomic groups within a molecule. Specifically, we explicitly exchange the information among neural atoms and project them back to the atoms' representations as an enhancement. With this mechanism, neural atoms establish the communication channels among distant nodes, effectively reducing the interaction scope of arbitrary node pairs into a single hop. To provide an inspection of our method from a physical perspective, we reveal its connection with the traditional LRI calculation method, Ewald Summation. We conduct extensive experiments on three long-range graph benchmarks, covering both graph-level and link-level tasks on molecular graphs. We empirically justify that our method can be equipped with an arbitrary GNN and help to capture LRI.

This article presents Individual Conditional Expectation (ICE) plots, a tool for visualizing the model estimated by any supervised learning algorithm. Classical partial dependence plots (PDPs) help visualize the average partial relationship between the predicted response and one or more features. In the presence of substantial interaction effects, the partial response relationship can be heterogeneous. Thus, an average curve, such as the PDP, can obfuscate the complexity of the modeled relationship. Accordingly, ICE plots refine the partial dependence plot by graphing the functional relationship between the predicted response and the feature for individual observations. Specifically, ICE plots highlight the variation in the fitted values across the range of a covariate, suggesting where and to what extent heterogeneities might exist. In addition to providing a plotting suite for exploratory analysis, we include a visual test for additive structure in the data generating model. Through simulated examples and real data sets, we demonstrate how ICE plots can shed light on estimated models in ways PDPs cannot. Procedures outlined are available in the R package ICEbox.

Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often struggle to capture the fine-grained interactions between drugs and protein, i.e. the binding of specific drug atoms (or substructures) and key amino acids of proteins, which is crucial for understanding the binding mechanisms and optimising drug design. To address this issue, this paper introduces a novel model, called FusionDTI, which uses a token-level Fusion module to effectively learn fine-grained information for Drug-Target Interaction. In particular, our FusionDTI model uses the SELFIES representation of drugs to mitigate sequence fragment invalidation and incorporates the structure-aware (SA) vocabulary of target proteins to address the limitation of amino acid sequences in structural information, additionally leveraging pre-trained language models extensively trained on large-scale biomedical datasets as encoders to capture the complex information of drugs and targets. Experiments on three well-known benchmark datasets show that our proposed FusionDTI model achieves the best performance in DTI prediction compared with seven existing state-of-the-art baselines. Furthermore, our case study indicates that FusionDTI could highlight the potential binding sites, enhancing the explainability of the DTI prediction.

User profiling has long been an important problem that investigates user interests in many real applications. Some recent works regard users and their interacted objects as entities of a graph and turn the problem into a node classification task. However, they neglect the difference of distinct interaction types, e.g. user clicks an item v.s.user purchases an item, and thus cannot incorporate such information well. To solve these issues, we propose to leverage the relation-aware heterogeneous graph method for user profiling, which also allows capturing significant meta relations. We adopt the query, key, and value mechanism in a transformer fashion for heterogeneous message passing so that entities can effectively interact with each other. Via such interactions on different relation types, our model can generate representations with rich information for the user profile prediction. We conduct experiments on two real-world e-commerce datasets and observe a significant performance boost of our approach.

Retrieving external knowledge and prompting large language models with relevant information is an effective paradigm to enhance the performance of question-answering tasks. Previous research typically handles paragraphs from external documents in isolation, resulting in a lack of context and ambiguous references, particularly in multi-document and complex tasks. To overcome these challenges, we propose a new retrieval framework IIER, that leverages Inter-chunk Interactions to Enhance Retrieval. This framework captures the internal connections between document chunks by considering three types of interactions: structural, keyword, and semantic. We then construct a unified Chunk-Interaction Graph to represent all external documents comprehensively. Additionally, we design a graph-based evidence chain retriever that utilizes previous paths and chunk interactions to guide the retrieval process. It identifies multiple seed nodes based on the target question and iteratively searches for relevant chunks to gather supporting evidence. This retrieval process refines the context and reasoning chain, aiding the large language model in reasoning and answer generation. Extensive experiments demonstrate that IIER outperforms strong baselines across four datasets, highlighting its effectiveness in improving retrieval and reasoning capabilities.