Daily Papers

Large Language Models are increasingly used to turn natural-language requirements into code. In access control, that shortcut is dangerous: a generated policy can compile and read correctly while granting access that no one approved. The difficulty is not only writing policy code. It is fixing what the requirements mean before code is written, and then checking that the final policy actually satisfies that intent. We present AutoCedar, a verifier-guided system that first turns natural-language access-control requirements into a reviewed, checkable target, and then synthesizes Cedar policies against that target. AutoCedar decomposes schema and policy authoring into small intent atoms: reviewable claims about vocabulary and behavior. Once those atoms pass mechanical validation and human intent review, the model proposes a candidate policy, the verifier checks it against the approved target, and each failure is turned into a repair signal that tells the model whether to broaden, narrow, or restructure the policy without changing the target. Because the model's work is split into small problems, each grounded in reviewed intent and backed by verifier feedback, end-to-end policy authoring becomes tractable. AutoCedar converges on all 221 tasks of CedarBench, our benchmark of authorization tasks paired with executable semantic boundaries. Across three requirements-corpus case studies covering healthcare, education, and conference management, AutoCedar converts noisy prose and extracted access-control fragments into reviewed schemas, formal checks, and a globally verified Cedar policy store for each scenario.

Recommendation systems, which assist users in discovering their preferred items among numerous options, have served billions of users across various online platforms. Intuitively, users' interactions with items are highly driven by their unchanging inherent intents (e.g., always preferring high-quality items) and changing demand intents (e.g., wanting a T-shirt in summer but a down jacket in winter). However, both types of intents are implicitly expressed in recommendation scenario, posing challenges in leveraging them for accurate intent-aware recommendations. Fortunately, in search scenario, often found alongside recommendation on the same online platform, users express their demand intents explicitly through their query words. Intuitively, in both scenarios, a user shares the same inherent intent and the interactions may be influenced by the same demand intent. It is therefore feasible to utilize the interaction data from both scenarios to reinforce the dual intents for joint intent-aware modeling. But the joint modeling should deal with two problems: 1) accurately modeling users' implicit demand intents in recommendation; 2) modeling the relation between the dual intents and the interactive items. To address these problems, we propose a novel model named Unified Dual-Intents Translation for joint modeling of Search and Recommendation (UDITSR). To accurately simulate users' demand intents in recommendation, we utilize real queries from search data as supervision information to guide its generation. To explicitly model the relation among the triplet <inherent intent, demand intent, interactive item>, we propose a dual-intent translation propagation mechanism to learn the triplet in the same semantic space via embedding translations. Extensive experiments demonstrate that UDITSR outperforms SOTA baselines both in search and recommendation tasks.

Forward latent world models predict how actions change a scene, but recover actions for a desired change only through expensive test-time search. We introduce INTACT (INtent-To-ACTion), an end-to-end JEPA that turns action-labeled, reward-free trajectories into a deployable intent-to-action interface. Each transition supplies physical intent z_{t+1}-z_t, while a future goal supplies deployment intent sg(z_g)-z_t. The architecture is isomorphic between the local and goal motion-intent backbone-input graphs through an identical four-slot grammar and shared parameters, and between supported local and goal motion-intent families through action-law semantics induced by the same predictor rather than pointwise latent equality. INTACT also provides intact transfer from RGB evidence to action-effective latent intent coordinates and from intent families to their corresponding action-law families. Asymmetric endpoint gradients ground physical successors and fix future goals as anchors, joining representation learning and control without pointwise latent matching or globally linear dynamics. The resulting coordinates support a robust distributional action law: its conditional mean serves directly as a search-free policy, while sampling remains available for diversity or optional verification. On the four official LeWM tasks, one-epoch, zero-search models reach 85.78\%, 100.00\%, 97.67\%, and 97.89\% success. Optional local CEM centered on the Direct plan reaches 96.86\% macro success using 384 instead of 9,000 candidate sequences, reducing sampling by 23.44times while improving pure CEM by 16.00 points. One shared four-task encoder reaches 89.39\% E5 Direct macro and improves every task over jointly trained LeWM, while predicted--expert action-family kNN tracks Direct success at r=0.954. Direct inference takes 2.9--5.5 ms.

In this paper, we introduce Auto-Intent, a method to adapt a pre-trained large language model (LLM) as an agent for a target domain without direct fine-tuning, where we empirically focus on web navigation tasks. Our approach first discovers the underlying intents from target domain demonstrations unsupervisedly, in a highly compact form (up to three words). With the extracted intents, we train our intent predictor to predict the next intent given the agent's past observations and actions. In particular, we propose a self-exploration approach where top-k probable intent predictions are provided as a hint to the pre-trained LLM agent, which leads to enhanced decision-making capabilities. Auto-Intent substantially improves the performance of GPT-{3.5, 4} and Llama-3.1-{70B, 405B} agents on the large-scale real-website navigation benchmarks from Mind2Web and online navigation tasks from WebArena with its cross-benchmark generalization from Mind2Web.

Language-guided human motion synthesis has been a challenging task due to the inherent complexity and diversity of human behaviors. Previous methods face limitations in generalization to novel actions, often resulting in unrealistic or incoherent motion sequences. In this paper, we propose ATOM (ATomic mOtion Modeling) to mitigate this problem, by decomposing actions into atomic actions, and employing a curriculum learning strategy to learn atomic action composition. First, we disentangle complex human motions into a set of atomic actions during learning, and then assemble novel actions using the learned atomic actions, which offers better adaptability to new actions. Moreover, we introduce a curriculum learning training strategy that leverages masked motion modeling with a gradual increase in the mask ratio, and thus facilitates atomic action assembly. This approach mitigates the overfitting problem commonly encountered in previous methods while enforcing the model to learn better motion representations. We demonstrate the effectiveness of ATOM through extensive experiments, including text-to-motion and action-to-motion synthesis tasks. We further illustrate its superiority in synthesizing plausible and coherent text-guided human motion sequences.

As the disruptive changes in the media economy and the proliferation of alternative news media outlets, news intent has progressively deviated from ethical standards that serve the public interest. News intent refers to the purpose or intention behind the creation of a news article. While the significance of research on news intent has been widely acknowledged, the absence of a systematic news intent understanding framework hinders further exploration of news intent and its downstream applications. To bridge this gap, we propose News INTent (NINT) frame, the first component-aware formalism for understanding the news creation intent based on research in philosophy, psychology, and cognitive science. Within this frame, we define the news intent identification task and provide a benchmark dataset with fine-grained labels along with an efficient benchmark method. Experiments demonstrate that NINT is beneficial in both the intent identification task and downstream tasks that demand a profound understanding of news. This work marks a foundational step towards a more systematic exploration of news creation intents.

Early-stage molecular design is an iterative process, not just a task of generating molecules. Researchers turn broad goals into design strategies, refine candidates, assess many properties, and gather evidence before synthesis and tests. AI methods can generate molecules, optimize several goals, predict properties, dock compounds, and account for synthesis. Yet these functions are spread across specialized tools. Experts must still coordinate each step, judge interim results, and integrate evidence. The central challenge is thus to turn research intent into adaptive, traceable runs grounded in scientific tools. We cast this challenge as intent-to-evidence molecular design workflow execution and present CAi Copilot, an expert-oriented agent with three linked layers. The Research Interface Layer turns intent into an executable plan. The Agent Reasoning Layer uses interim results to guide each run. The Execution Substrate supplies molecular tools, metrics, reusable utilities, and backend services. Across 45 tasks, CAi achieves the strongest overall performance, with an outcome score of 84.59, exceeding the next-best result by 18.07 points. Additional benchmarks test how CAi coordinates generation, screening, and multi-criteria evaluation, while exposing limits in long-horizon execution. These results show that CAi turns broad molecular-design intent into transparent, traceable workflows that connect interim decisions to candidate-level evidence.

Object navigation requires a robot to search for an unobserved target in an unknown environment by deciding where to explore next under partial observability. Effective search resembles human-like exploration: selectively probing visually promising frontiers while relying on spatial memory to avoid redundant revisits. We propose IntentNav, a spatial-visual imitation framework that learns human-like ObjectNav policies from human demonstrations. To infer high-level search intent from low-level human actions, we introduce Frontier-based Human-Intent Labeling, which looks ahead in human demonstrations and labels the frontier that best explains the demonstrator's future search direction. We construct a spatial-visual candidate space, where BEV memory tracks explored regions, unexplored frontiers, and trajectory history, while egocentric visual memory provides semantic cues for each candidate. A VLM policy is trained to select among these grounded candidates, using Intent-Aligned Objective to encourage consistent and human-like exploration. IntentNav achieves state-of-the-art performance on the MP3D, HM3D-v1 and HM3D-v2 ObjectNav benchmarks. The proposed candidate-level navigation interface transfers zero-shot to wheeled, quadruped, and humanoid robots without further VLM fine-tuning. https://anonymous.4open.science/w/IntentNav/{Project page}.

Intent detection is a crucial task in any Natural Language Understanding (NLU) system and forms the foundation of a task-oriented dialogue system. To build high-quality real-world conversational solutions for edge devices, there is a need for deploying intent detection model on device. This necessitates a light-weight, fast, and accurate model that can perform efficiently in a resource-constrained environment. To this end, we propose LIDSNet, a novel lightweight on-device intent detection model, which accurately predicts the message intent by utilizing a Deep Siamese Network for learning better sentence representations. We use character-level features to enrich the sentence-level representations and empirically demonstrate the advantage of transfer learning by utilizing pre-trained embeddings. Furthermore, to investigate the efficacy of the modules in our architecture, we conduct an ablation study and arrive at our optimal model. Experimental results prove that LIDSNet achieves state-of-the-art competitive accuracy of 98.00% and 95.97% on SNIPS and ATIS public datasets respectively, with under 0.59M parameters. We further benchmark LIDSNet against fine-tuned BERTs and show that our model is at least 41x lighter and 30x faster during inference than MobileBERT on Samsung Galaxy S20 device, justifying its efficiency on resource-constrained edge devices.

New Intent Discovery (NID) strives to identify known and reasonably deduce novel intent groups in the open-world scenario. But current methods face issues with inaccurate pseudo-labels and poor representation learning, creating a negative feedback loop that degrades overall model performance, including accuracy and the adjusted rand index. To address the aforementioned challenges, we propose a Robust New Intent Discovery (RoNID) framework optimized by an EM-style method, which focuses on constructing reliable pseudo-labels and obtaining cluster-friendly discriminative representations. RoNID comprises two main modules: reliable pseudo-label generation module and cluster-friendly representation learning module. Specifically, the pseudo-label generation module assigns reliable synthetic labels by solving an optimal transport problem in the E-step, which effectively provides high-quality supervised signals for the input of the cluster-friendly representation learning module. To learn cluster-friendly representation with strong intra-cluster compactness and large inter-cluster separation, the representation learning module combines intra-cluster and inter-cluster contrastive learning in the M-step to feed more discriminative features into the generation module. RoNID can be performed iteratively to ultimately yield a robust model with reliable pseudo-labels and cluster-friendly representations. Experimental results on multiple benchmarks demonstrate our method brings substantial improvements over previous state-of-the-art methods by a large margin of +1~+4 points.

When working on digital devices, people often face distractions that can lead to a decline in productivity and efficiency, as well as negative psychological and emotional impacts. To address this challenge, we introduce a novel Artificial Intelligence (AI) assistant that elicits a user's intention, assesses whether ongoing activities are in line with that intention, and provides gentle nudges when deviations occur. The system leverages a large language model to analyze screenshots, application titles, and URLs, issuing notifications when behavior diverges from the stated goal. Its detection accuracy is refined through initial clarification dialogues and continuous user feedback. In a three-week, within-subjects field deployment with 22 participants, we compared our assistant to both a rule-based intent reminder system and a passive baseline that only logged activity. Results indicate that our AI assistant effectively supports users in maintaining focus and aligning their digital behavior with their intentions. Our source code is publicly available at https://intentassistant.github.io

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning (ML) model, trained on a data base of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity, and excitation energies. The ML model is based on a deep multi-task artificial neural network, exploiting underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules the accuracy of such a "Quantum Machine" is similar, and sometimes superior, to modern quantum-chemical methods---at negligible computational cost.

We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrödinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density-functional theory. Cross-validation over more than seven thousand small organic molecules yields a mean absolute error of ~10 kcal/mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves.

Recently, text-to-motion models have opened new possibilities for creating realistic human motion with greater efficiency and flexibility. However, aligning motion generation with event-level textual descriptions presents unique challenges due to the complex relationship between textual prompts and desired motion outcomes. To address this, we introduce AToM, a framework that enhances the alignment between generated motion and text prompts by leveraging reward from GPT-4Vision. AToM comprises three main stages: Firstly, we construct a dataset MotionPrefer that pairs three types of event-level textual prompts with generated motions, which cover the integrity, temporal relationship and frequency of motion. Secondly, we design a paradigm that utilizes GPT-4Vision for detailed motion annotation, including visual data formatting, task-specific instructions and scoring rules for each sub-task. Finally, we fine-tune an existing text-to-motion model using reinforcement learning guided by this paradigm. Experimental results demonstrate that AToM significantly improves the event-level alignment quality of text-to-motion generation.

Building conversational systems in new domains and with added functionality requires resource-efficient models that work under low-data regimes (i.e., in few-shot setups). Motivated by these requirements, we introduce intent detection methods backed by pretrained dual sentence encoders such as USE and ConveRT. We demonstrate the usefulness and wide applicability of the proposed intent detectors, showing that: 1) they outperform intent detectors based on fine-tuning the full BERT-Large model or using BERT as a fixed black-box encoder on three diverse intent detection data sets; 2) the gains are especially pronounced in few-shot setups (i.e., with only 10 or 30 annotated examples per intent); 3) our intent detectors can be trained in a matter of minutes on a single CPU; and 4) they are stable across different hyperparameter settings. In hope of facilitating and democratizing research focused on intention detection, we release our code, as well as a new challenging single-domain intent detection dataset comprising 13,083 annotated examples over 77 intents.

Deploying large language models in long-horizon, goal-oriented interactions remains challenging because similar entities and facts recur under different latent goals and constraints, causing memory systems to retrieve context-mismatched evidence. We propose STITCH (Structured Intent Tracking in Contextual History), an agentic memory system that indexes each trajectory step with a structured retrieval cue, contextual intent, and retrieves history by matching the current step's intent. Contextual intent provides compact signals that disambiguate repeated mentions and reduce interference: (1) the current latent goal defining a thematic segment, (2) the action type, and (3) the salient entity types anchoring which attributes matter. During inference, STITCH filters and prioritizes memory snippets by intent compatibility, suppressing semantically similar but context-incompatible history. For evaluation, we introduce CAME-Bench, a benchmark for context-aware retrieval in realistic, dynamic, goal-oriented trajectories. Across CAME-Bench and LongMemEval, STITCH achieves state-of-the-art performance, outperforming the strongest baseline by 35.6%, with the largest gains as trajectory length increases. Our analysis shows that intent indexing substantially reduces retrieval noise, supporting intent-aware memory for robust long-horizon reasoning.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

New Intent Discovery (NID) aims to recognize known and infer new intent categories with the help of limited labeled and large-scale unlabeled data. The task is addressed as a feature-clustering problem and recent studies augment instance representation. However, existing methods fail to capture cluster-friendly representations, since they show less capability to effectively control and coordinate within-cluster and between-cluster distances. Tailored to the NID problem, we propose a Robust and Adaptive Prototypical learning (RAP) framework for globally distinct decision boundaries for both known and new intent categories. Specifically, a robust prototypical attracting learning (RPAL) method is designed to compel instances to gravitate toward their corresponding prototype, achieving greater within-cluster compactness. To attain larger between-cluster separation, another adaptive prototypical dispersing learning (APDL) method is devised to maximize the between-cluster distance from the prototype-to-prototype perspective. Experimental results evaluated on three challenging benchmarks (CLINC, BANKING, and StackOverflow) of our method with better cluster-friendly representation demonstrate that RAP brings in substantial improvements over the current state-of-the-art methods (even large language model) by a large margin (average +5.5% improvement).

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

Google users have different intents from their queries such as acquiring information, buying products, comparing or simulating services, looking for products, and so on. Understanding the right intention of users helps to provide i) better content on web pages from the Search Engine Optimization (SEO) perspective and ii) more user-satisfying results from the search engine perspective. In this study, we aim to identify the user query's intent by taking advantage of Google results and machine learning methods. Our proposed approach is a clustering model that exploits some features to detect query's intent. A list of keywords extracted from the clustered queries is used to identify the intent of a new given query. Comparing the clustering results with the intents predicted by filtered keywords show the efficiency of the extracted keywords for detecting intents.

Long-term memory enables large language model (LLM) agents to support personalized and sustained interactions. However, most work on personalized agents prioritizes utility and user experience, treating memory as a neutral component and largely overlooking its safety implications. In this paper, we reveal intent legitimation, a previously underexplored safety failure in personalized agents, where benign personal memories bias intent inference and cause models to legitimize inherently harmful queries. To study this phenomenon, we introduce PS-Bench, a benchmark designed to identify and quantify intent legitimation in personalized interactions. Across multiple memory-augmented agent frameworks and base LLMs, personalization increases attack success rates by 15.8%-243.7% relative to stateless baselines. We further provide mechanistic evidence for intent legitimation from internal representations space, and propose a lightweight detection-reflection method that effectively reduces safety degradation. Overall, our work provides the first systematic exploration and evaluation of intent legitimation as a safety failure mode that naturally arises from benign, real-world personalization, highlighting the importance of assessing safety under long-term personal context. WARNING: This paper may contain harmful content.

Accurately understanding the intent behind speech, conversation, and writing is crucial to the development of helpful Large Language Model (LLM) assistants. This paper introduces IntentGrasp, a comprehensive benchmark for evaluating the intent understanding capability of LLMs. Derived from 49 high-quality, open-licensed corpora spanning 12 diverse domains, IntentGrasp is constructed through source datasets curation, intent label contextualization, and task format unification. IntentGrasp contains a large-scale training set of 262,759 instances and two evaluation sets: an All Set of 12,909 test cases and a more balanced and challenging Gem Set of 470 cases. Extensive evaluations on 20 LLMs across 7 families (including frontier models such as GPT-5.4, Gemini-3.1-Pro, and Claude-Opus-4.7) demonstrate unsatisfactory performance, with scores below 60% on All Set and below 25% on Gem set. Notably, 17 out of 20 tested models perform worse than a random-guess baseline (15.2%) on Gem Set, while the estimated human performance is ~81.1%, showing substantial room for improvement. To enhance such ability, this paper proposes Intentional Fine-Tuning (IFT), which fine-tunes the models on the training set in IntentGrasp, yielding significant gains of 30+ F1 points on All Set and 20+ points on Gem Set. Tellingly, the leave-one-domain-out (Lodo) experiments further demonstrate the strong cross-domain generalizability of IFT, verifying that it is a promising approach to substantially enhancing the intent understanding of LLMs. Overall, by benchmarking and boosting intent understanding ability, this study sheds light on a promising path towards more intentional, capable, and safe AI assistants for human benefits and social good.

For companies with customer service, mapping intents inside their conversational data is crucial in building applications based on natural language understanding (NLU). Nevertheless, there is no established automated technique to gather the intents from noisy online chats or voice transcripts. Simple clustering approaches are not suited to intent-sparse dialogues. To solve this intent-landscape task, we propose an unsupervised pipeline that extracts the intents and the taxonomy of intents from real-world dialogues. Our pipeline mines intent-span candidates with an extractive Question-Answering Electra model and leverages sentence embeddings to apply a low-level density clustering followed by a top-level hierarchical clustering. Our results demonstrate the generalization ability of an ELECTRA large model fine-tuned on the SQuAD2 dataset to understand dialogues. With the right prompting question, this model achieves a rate of linguistic validation on intent spans beyond 85%. We furthermore reconstructed the intent schemes of five domains from the MultiDoGo dataset with an average recall of 94.3%.

Conversational systems often rely on embedding models for intent classification and intent clustering tasks. The advent of Large Language Models (LLMs), which enable instructional embeddings allowing one to adjust semantics over the embedding space using prompts, are being viewed as a panacea for these downstream conversational tasks. However, traditional evaluation benchmarks rely solely on task metrics that don't particularly measure gaps related to semantic understanding. Thus, we propose an intent semantic toolkit that gives a more holistic view of intent embedding models by considering three tasks -- (1) intent classification, (2) intent clustering, and (3) a novel triplet task. The triplet task gauges the model's understanding of two semantic concepts paramount in real-world conversational systems -- negation and implicature. We observe that current embedding models fare poorly in semantic understanding of these concepts. To address this, we propose a pre-training approach to improve the embedding model by leveraging augmentation with data generated by an auto-regressive model and a contrastive loss term. Our approach improves the semantic understanding of the intent embedding model on the aforementioned linguistic dimensions while slightly effecting their performance on downstream task metrics.

New intent discovery (NID) seeks to recognize both new and known intents from unlabeled user utterances, which finds prevalent use in practical dialogue systems. Existing works towards NID mainly adopt a cascaded architecture, wherein the first stage focuses on encoding the utterances into informative text embeddings beforehand, while the latter is to group similar embeddings into clusters (i.e., intents), typically by K-Means. However, such a cascaded pipeline fails to leverage the feedback from both steps for mutual refinement, and, meanwhile, the embedding-only clustering overlooks nuanced textual semantics, leading to suboptimal performance. To bridge this gap, this paper proposes NILC, a novel clustering framework specially catered for effective NID. Particularly, NILC follows an iterative workflow, in which clustering assignments are judiciously updated by carefully refining cluster centroids and text embeddings of uncertain utterances with the aid of large language models (LLMs). Specifically, NILC first taps into LLMs to create additional semantic centroids for clusters, thereby enriching the contextual semantics of the Euclidean centroids of embeddings. Moreover, LLMs are then harnessed to augment hard samples (ambiguous or terse utterances) identified from clusters via rewriting for subsequent cluster correction. Further, we inject supervision signals through non-trivial techniques seeding and soft must links for more accurate NID in the semi-supervised setting. Extensive experiments comparing NILC against multiple recent baselines under both unsupervised and semi-supervised settings showcase that NILC can achieve significant performance improvements over six benchmark datasets of diverse domains consistently.

Despite extensive safety-tuning, large language models (LLMs) remain vulnerable to jailbreak attacks via adversarially crafted instructions, reflecting a persistent trade-off between safety and task performance. In this work, we propose Intent-FT, a simple and lightweight fine-tuning approach that explicitly trains LLMs to infer the underlying intent of an instruction before responding. By fine-tuning on a targeted set of adversarial instructions, Intent-FT enables LLMs to generalize intent deduction to unseen attacks, thereby substantially improving their robustness. We comprehensively evaluate both parametric and non-parametric attacks across open-source and proprietary models, considering harmfulness from attacks, utility, over-refusal, and impact against white-box threats. Empirically, Intent-FT consistently mitigates all evaluated attack categories, with no single attack exceeding a 50\% success rate -- whereas existing defenses remain only partially effective. Importantly, our method preserves the model's general capabilities and reduces excessive refusals on benign instructions containing superficially harmful keywords. Furthermore, models trained with Intent-FT accurately identify hidden harmful intent in adversarial attacks, and these learned intentions can be effectively transferred to enhance vanilla model defenses. We publicly release our code at https://github.com/wj210/Intent_Jailbreak.

Generating user intent from a sequence of user interface (UI) actions is a core challenge in comprehensive UI understanding. Recent advancements in multimodal large language models (MLLMs) have led to substantial progress in this area, but their demands for extensive model parameters, computing power, and high latency makes them impractical for scenarios requiring lightweight, on-device solutions with low latency or heightened privacy. Additionally, the lack of high-quality datasets has hindered the development of such lightweight models. To address these challenges, we propose UI-JEPA, a novel framework that employs masking strategies to learn abstract UI embeddings from unlabeled data through self-supervised learning, combined with an LLM decoder fine-tuned for user intent prediction. We also introduce two new UI-grounded multimodal datasets, "Intent in the Wild" (IIW) and "Intent in the Tame" (IIT), designed for few-shot and zero-shot UI understanding tasks. IIW consists of 1.7K videos across 219 intent categories, while IIT contains 914 videos across 10 categories. We establish the first baselines for these datasets, showing that representations learned using a JEPA-style objective, combined with an LLM decoder, can achieve user intent predictions that match the performance of state-of-the-art large MLLMs, but with significantly reduced annotation and deployment resources. Measured by intent similarity scores, UI-JEPA outperforms GPT-4 Turbo and Claude 3.5 Sonnet by 10.0% and 7.2% respectively, averaged across two datasets. Notably, UI-JEPA accomplishes the performance with a 50.5x reduction in computational cost and a 6.6x improvement in latency in the IIW dataset. These results underscore the effectiveness of UI-JEPA, highlighting its potential for lightweight, high-performance UI understanding.

In task-oriented dialogue systems, intent detection is crucial for interpreting user queries and providing appropriate responses. Existing research primarily addresses simple queries with a single intent, lacking effective systems for handling complex queries with multiple intents and extracting different intent spans. Additionally, there is a notable absence of multilingual, multi-intent datasets. This study addresses three critical tasks: extracting multiple intent spans from queries, detecting multiple intents, and developing a multi-lingual multi-label intent dataset. We introduce a novel multi-label multi-class intent detection dataset (MLMCID-dataset) curated from existing benchmark datasets. We also propose a pointer network-based architecture (MLMCID) to extract intent spans and detect multiple intents with coarse and fine-grained labels in the form of sextuplets. Comprehensive analysis demonstrates the superiority of our pointer network-based system over baseline approaches in terms of accuracy and F1-score across various datasets.

Sequential recommendation systems aim to capture users' evolving preferences from their interaction histories. Recent reasoningenhanced methods have shown promise by introducing deliberate, chain-of-thought-like processes with intermediate reasoning steps. However, these methods rely solely on the next target item as supervision, leading to two critical issues: (1) reasoning instability--the process becomes overly sensitive to recent behaviors and spurious interactions like accidental clicks, and (2) surface-level reasoning--the model memorizes item-to-item transitions rather than understanding intrinsic behavior patterns. To address these challenges, we propose IGR-SR, an Intent-Guided Reasoning framework for Sequential Recommendation that anchors the reasoning process to explicitly extracted high-level intents. Our framework comprises three key components: (1) a Latent Intent Distiller (LID) that efficiently extracts multi-faceted intents using a frozen encoder with learnable tokens, (2) an Intent-aware Deliberative Reasoner (IDR) that decouples reasoning into intent deliberation and decision-making via a dual-attention architecture, and (3) an Intent Consistency Regularization (ICR) that ensures robustness by enforcing consistent representations across different intent views. Extensive experiments on three public datasets demonstrate that IGR-SR achieves an average 7.13% improvement over state-of-the-art baselines. Critically, under 20% behavioral noise, IGR-SR degrades only 10.4% compared to 16.2% and 18.6% for competing methods, validating the effectiveness and robustness of intent-guided reasoning.

A situated query like "where is Lin Wei?" often encodes more than its literal content: the user may also want to know whether Lin Wei is free, in a good mood, or worth interrupting now. Standard tool-use agents answer the literal question and stop. AURA inserts an inference step between scene perception and tool use that produces an IntentFrame: a structured estimate of the implicit need with a scalar gap score that controls per-query probe budget and tool selection. On a 100-query four-scene implicit-intent benchmark, AURA improves implicit-need coverage over ReAct-style probing (Delta = +0.07, p < 10^-6); three of four scenes are individually significant, the gain reproduces on a second backbone, and a prompt ablation attributes the lift to gap calibration rather than answer memorisation. On factual lookup the controller trades raw accuracy for 82% fewer probes and zero forbidden-tool violations on a privacy-sensitive slice; scope conditions are detailed in Limitations. Code, simulator, and benchmark are released at https://github.com/innovation64/AURA.

Novel intent discovery automates the process of grouping similar messages (questions) to identify previously unknown intents. However, current research focuses on publicly available datasets which have only the question field and significantly differ from real-life datasets. This paper proposes methods to improve the intent discovery pipeline deployed in a large e-commerce platform. We show the benefit of pre-training language models on in-domain data: both self-supervised and with weak supervision. We also devise the best method to utilize the conversational structure (i.e., question and answer) of real-life datasets during fine-tuning for clustering tasks, which we call Conv. All our methods combined to fully utilize real-life datasets give up to 33pp performance boost over state-of-the-art Constrained Deep Adaptive Clustering (CDAC) model for question only. By comparison CDAC model for the question data only gives only up to 13pp performance boost over the naive baseline.

A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption of molecular energy convexity that underpins molecular quantum mechanics. The proposed physical principle includes the molecular size consistency principle as a special case. Application of wavefunction theory to the principle shows that an individual molecule with a noninteger number of electrons is locally physical albeit locally unreal. The energy of a molecule is piecewise linear with respect to its continuous number of electrons. The continuity of the number of electrons allows the definition of an electronic chemical potential of a single molecule. A state function equivalent to the energy of a molecule can be defined using the chemical potential as a variable. The aforementioned physical principle can alternatively be expressed as a simple additivity with the new state function. The latter also shows that the quantum entanglement in the number of electrons can be viewed as all molecules sharing the same chemical potential.

As Decentralized Finance (DeFi) develops, understanding user intent behind DeFi transactions is crucial yet challenging due to complex smart contract interactions, multifaceted on-/off-chain factors, and opaque hex logs. Existing methods lack deep semantic insight. To address this, we propose the Transaction Intent Mining (TIM) framework. TIM leverages a DeFi intent taxonomy built on grounded theory and a multi-agent Large Language Model (LLM) system to robustly infer user intents. A Meta-Level Planner dynamically coordinates domain experts to decompose multiple perspective-specific intent analyses into solvable subtasks. Question Solvers handle the tasks with multi-modal on/off-chain data. While a Cognitive Evaluator mitigates LLM hallucinations and ensures verifiability. Experiments show that TIM significantly outperforms machine learning models, single LLMs, and single Agent baselines. We also analyze core challenges in intent inference. This work helps provide a more reliable understanding of user motivations in DeFi, offering context-aware explanations for complex blockchain activity.

Point defects play a central role in driving the properties of materials. First-principles methods are widely used to compute defect energetics and structures, including at scale for high-throughput defect databases. However, these methods are computationally expensive, making machine-learning force fields (MLFFs) an attractive alternative for accelerating structural relaxations. Most existing MLFFs are based on graph neural networks (GNNs), which can suffer from oversmoothing and poor representation of long-range interactions. Both of these issues are especially of concern when modeling point defects. To address these challenges, we introduce the Accelerated Deep Atomic Potential Transformer (ADAPT), an MLFF that replaces graph representations with a direct coordinates-in-space formulation and explicitly considers all pairwise atomic interactions. Atoms are treated as tokens, with a Transformer encoder modeling their interactions. Applied to a dataset of silicon point defects, ADAPT achieves a roughly 33 percent reduction in both force and energy prediction errors relative to a state-of-the-art GNN-based model, while requiring only a fraction of the computational cost.

LLM-powered search agents are increasingly being used for multi-step information seeking tasks, yet the IR community lacks empirical understanding of how agentic search sessions unfold and how retrieved evidence is used. This paper presents a large-scale log analysis of agentic search based on 14.44M search requests (3.97M sessions) collected from DeepResearchGym, i.e. an open-source search API accessed by external agentic clients. We sessionize the logs, assign session-level intents and step-wise query-reformulation labels using LLM-based annotation, and propose Context-driven Term Adoption Rate (CTAR) to quantify whether newly introduced query terms are traceable to previously retrieved evidence. Our analyses reveal distinctive behavioral patterns. First, over 90% of multi-turn sessions contain at most ten steps, and 89% of inter-step intervals fall under one minute. Second, behavior varies by intent. Fact-seeking sessions exhibit high repetition that increases over time, while sessions requiring reasoning sustain broader exploration. Third, agents reuse evidence across steps. On average, 54% of newly introduced query terms appear in the accumulated evidence context, with contributions from earlier steps beyond the most recent retrieval. The findings suggest that agentic search may benefit from repetition-aware early stopping, intent-adaptive retrieval budgets, and explicit cross-step context tracking. We plan to release the anonymized logs to support future research.

The ability to infer the intentions of others, predict their goals, and deduce their plans are critical features for intelligent agents. For a long time, several approaches investigated the use of symbolic representations and inferences with limited success, principally because it is difficult to capture the cognitive knowledge behind human decisions explicitly. The trend, nowadays, is increasingly focusing on learning to infer intentions directly from data, using deep learning in particular. We are now observing interesting applications of intent classification in natural language processing, visual activity recognition, and emerging approaches in other domains. This paper discusses a novel approach combining few-shot and transfer learning with cross-domain features, to learn to infer the intent of an agent navigating in physical environments, executing arbitrary long sequences of actions to achieve their goals. Experiments in synthetic environments demonstrate improved performance in terms of learning from few samples and generalizing to unseen configurations, compared to a deep-learning baseline approach.

We present a systematic study on multilingual and cross-lingual intent detection from spoken data. The study leverages a new resource put forth in this work, termed MInDS-14, a first training and evaluation resource for the intent detection task with spoken data. It covers 14 intents extracted from a commercial system in the e-banking domain, associated with spoken examples in 14 diverse language varieties. Our key results indicate that combining machine translation models with state-of-the-art multilingual sentence encoders (e.g., LaBSE) can yield strong intent detectors in the majority of target languages covered in MInDS-14, and offer comparative analyses across different axes: e.g., zero-shot versus few-shot learning, translation direction, and impact of speech recognition. We see this work as an important step towards more inclusive development and evaluation of multilingual intent detectors from spoken data, in a much wider spectrum of languages compared to prior work.

User simulators are widely used as scalable environments for training and evaluating interactive assistants. Generating the next user turn is inherently one-to-many: the same profile and dialogue context may support multiple plausible continuations with different local interaction intents. A fluent response may therefore advance the dialogue through an inappropriate intent, such as acceptance rather than repair. Our key insight is that controllable user simulation should separate which local interaction intent the next user turn should realize from how that intent is expressed in language. We introduce UserIDA (User Intent-Directive Alignment), which exposes interaction intent as an explicit per-turn directive. UserIDA defines a six-way intent interface, learns directive-conditioned generation through supervised fine-tuning, and uses intent-calibrated policy optimization during group-based reinforcement learning. The reward preserves composite response quality while ensuring that intent-violating candidates rank below compliant alternatives in mixed groups. On LMSYS-USP, UserIDA achieves 86.6\% intent accuracy, outperforming the strongest dedicated user-simulator baseline by 24.3 percentage points while improving semantic and stylistic similarity. In within-context interventions, it realizes at least four of the six target intents in 91.7\% of evaluated dialogue states, compared with 22.9\% for the strongest external baseline. These results establish per-turn intent control as a complementary dimension to response fidelity in user simulation.

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest; and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model -- and its qualitative and at times quantitative accuracy -- on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, and chemical reactions. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry.

Field evaporation from ionic or covalently bonded materials often leads to the emission of molecular ions. The metastability of these molecular ions, particularly under the influence of the intense electrostatic field (1010 Vm-1), makes them prone to dissociation with or without an exchange of energy amongst them. These processes can affect the analytical performance of atom probe tomography (APT). For instance, neutral species formed through dissociation may not be detected at all or with a time of flight no longer related to their mass, causing their loss from the analysis. Here, we evaluated the changes in the measured composition of FeO, Fe2O3 and Fe3O4 across a wide range of analysis conditions. Possible dissociation reactions are predicted by density-functional theory (DFT) calculations considering the spin states of the molecules. The energetically favoured reactions are traced on to the multi-hit ion correlation histograms, to confirm their existence within experiments, using an automated Python-based routine. The detected reactions are carefully analysed to reflect upon the influence of these neutrals from dissociation reactions on the performance of APT for analysing iron oxides.

Intent, typically clearly formulated and planned, functions as a cognitive framework for reasoning and problem-solving. This paper introduces the concept of Speaking with Intent (SWI) in large language models (LLMs), where the explicitly generated intent encapsulates the model's underlying intention and provides high-level planning to guide subsequent analysis and communication. By emulating deliberate and purposeful thoughts in the human mind, SWI is hypothesized to enhance the reasoning capabilities and generation quality of LLMs. Extensive experiments on mathematical reasoning benchmarks consistently demonstrate the superiority of Speaking with Intent over Baseline (i.e., generation without explicit intent). Moreover, SWI outperforms answer-trigger prompting methods Chain-of-Thought and Plan-and-Solve and maintains competitive performance with the strong method ARR (Analyzing, Retrieving, and Reasoning). Additionally, the effectiveness and generalizability of SWI are solidified on reasoning-intensive question answering (QA) and text summarization benchmarks, where SWI brings consistent improvement to the Baseline generation. In text summarization, SWI-generated summaries exhibit greater accuracy, conciseness, and factual correctness, with fewer hallucinations. Furthermore, human evaluations verify the coherence, effectiveness, and interpretability of the intent produced by SWI. This proof-of-concept study creates a novel avenue for enhancing LLMs' reasoning abilities with cognitive notions.

As multimodal large language models advance rapidly, the automation of mobile tasks has become increasingly feasible through the use of mobile-use agents that mimic human interactions from graphical user interface. To further enhance mobile-use agents, previous studies employ demonstration learning to improve mobile-use agents from human demonstrations. However, these methods focus solely on the explicit intention flows of humans (e.g., step sequences) while neglecting implicit intention flows (e.g., personal preferences), which makes it difficult to construct personalized mobile-use agents. In this work, to evaluate the Intention Alignment Rate between mobile-use agents and humans, we first collect MobileIAR, a dataset containing human-intent-aligned actions and ground-truth actions. This enables a comprehensive assessment of the agents' understanding of human intent. Then we propose IFRAgent, a framework built upon Intention Flow Recognition from human demonstrations. IFRAgent analyzes explicit intention flows from human demonstrations to construct a query-level vector library of standard operating procedures (SOP), and analyzes implicit intention flows to build a user-level habit repository. IFRAgent then leverages a SOP extractor combined with retrieval-augmented generation and a query rewriter to generate personalized query and SOP from a raw ambiguous query, enhancing the alignment between mobile-use agents and human intent. Experimental results demonstrate that IFRAgent outperforms baselines by an average of 6.79\% (32.06\% relative improvement) in human intention alignment rate and improves step completion rates by an average of 5.30\% (26.34\% relative improvement). The codes are available at https://github.com/MadeAgents/Quick-on-the-Uptake.

The origin of a chemical reaction between two reactant atoms is associated to the activation energy, with the assumption that, high-energy collisions between these atoms, are the ones that overcome the activation energy. Here, we (i) show that a stronger attractive van der Waals (vdW) and electron-ion Coulomb interactions between two polarized atoms are responsible to initiate a chemical reaction, either before or after the collision. We derive this stronger vdW attraction formula exactly using the quasi one-dimensional Drude model within the ionization energy theory and the energy-level spacing renormalization group method. Along the way, we (ii) expose the precise physical mechanism responsible for the existence of a stronger vdW interaction for both long and short distances, and also show how to technically avoid the electron-electron Coulomb repulsion between polarized electrons from these two reactant atoms. Finally, we properly and correctly associate the existence of this stronger attraction to Ramachandran's 'normal limits' (distance shorter than what is allowed by the standard vdW bond) between chemically nonbonded atoms.

Understanding user intent is essential for effective planning in conversational assistants, particularly those powered by large language models (LLMs) coordinating multiple agents. However, real-world dialogues are often ambiguous, underspecified, or dynamic, making intent detection a persistent challenge. Traditional classification-based approaches struggle to generalize in open-ended settings, leading to brittle interpretations and poor downstream planning. We propose RECAP (REwriting Conversations for Agent Planning), a new benchmark designed to evaluate and advance intent rewriting, reframing user-agent dialogues into concise representations of user goals. RECAP captures diverse challenges such as ambiguity, intent drift, vagueness, and mixed-goal conversations. Alongside the dataset, we introduce an LLM-based evaluator that assesses planning utility given the rewritten intent. Using RECAP, we develop a prompt-based rewriting approach that outperforms baselines. We further demonstrate that fine-tuning two DPO-based rewriters yields additional utility gains. Our results highlight intent rewriting as a critical and tractable component for improving agent planning in open-domain dialogue systems.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

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.

As LLMs become more capable, they are increasingly deployed as collaborative agents, taking on user-delegated tasks through iterative interaction. Yet genuine interaction is inherently dynamic: users rarely specify their intent upfront, instead disclosing, revising, and reshaping it as the conversation unfolds. Despite this, LLMs are still predominantly evaluated or trained in single-turn, fully-specified settings, leaving open a fundamental question: how well do LLMs track and act on user intent as it evolves over the course of a conversation? To study this, we introduce a framework that transforms static, single-turn tasks into dynamic multi-turn conversations in which the user's intent evolves across turns--incrementally revealed, revised, and at times redirected mid-conversation--while preserving each task's original evaluation protocol, enabling existing benchmarks to be reused as controlled testbeds without new annotation. Across multiple tasks, we surface a consistent phenomenon: strong static-setting performance does not transfer to the evolving-intent setting, with substantial drops across model families. Our findings point to a fundamental gap: today's LLMs do not yet faithfully track and act on the user's evolving intent, a capability invisible to static evaluation yet critical for future collaborative agents.

Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overlooked a crucial physical constraint: atoms must maintain a minimum pairwise distance to avoid separation violation, a phenomenon governed by the balance of attractive and repulsive forces. To mitigate such separation violations, we propose NucleusDiff. It models the interactions between atomic nuclei and their surrounding electron clouds by enforcing the distance constraint between the nuclei and manifolds. We quantitatively evaluate NucleusDiff using the CrossDocked2020 dataset and a COVID-19 therapeutic target, demonstrating that NucleusDiff reduces violation rate by up to 100.00% and enhances binding affinity by up to 22.16%, surpassing state-of-the-art models for structure-based drug design. We also provide qualitative analysis through manifold sampling, visually confirming the effectiveness of NucleusDiff in reducing separation violations and improving binding affinities.

Deep generative models have shown promise for modeling metal-organic frameworks (MOFs), but existing approaches (1) rely on coarse-grained representations that assume fixed bond lengths and angles, and (2) neglect the MOF-adsorbate interactions, which are critical for downstream applications. We introduce AtomMOF, a scalable flow-based model built on an all-atom Diffusion Transformer that maps 2D molecular graphs of building blocks and adsorbates directly to equilibrium 3D structures without imposing structural constraints. We further present scaling laws for porous crystal generation, indicating predictable performance gains with increased model capacity, and introduce Feynman-Kac steering guided by machine-learned interatomic potentials to improve geometric validity and sampling stability. On the (MOF-only) BW dataset, AtomMOF increases the match rate by 35.00% and reduces RMSD by 32.64%. On the ODAC25 dataset (MOF-adsorbate), AtomMOF is substantially more sample-efficient than grand canonical Monte Carlo in recovering adsorption configurations and can identify candidates with lower adsorption energies than the reference dataset. Code is available at https://github.com/nayoung10/AtomMOF.

Pretrained video generation models provide strong priors for robot control, but existing unified world action models still struggle to decode reliable actions without substantial robot-specific training. We attribute this limitation to a structural mismatch: while video models capture how scenes evolve, action generation requires explicit reasoning about where to interact and the underlying manipulation intent. We introduce AIM, an intent-aware unified world action model that bridges this gap via an explicit spatial interface. Instead of decoding actions directly from future visual representations, AIM predicts an aligned spatial value map that encodes task-relevant interaction structure, enabling a control-oriented abstraction of future dynamics. Built on a pretrained video generation model, AIM jointly models future observations and value maps within a shared mixture-of-transformers architecture. It employs intent-causal attention to route future information to the action branch exclusively through the value representation. We further propose a self-distillation reinforcement learning stage that freezes the video and value branches and optimizes only the action head using dense rewards derived from projected value-map responses together with sparse task-level signals. To support training and evaluation, we construct a simulation dataset of 30K manipulation trajectories with synchronized multi-view observations, actions, and value-map annotations. Experiments on RoboTwin 2.0 benchmark show that AIM achieves a 94.0% average success rate, significantly outperforming prior unified world action baselines. Notably, the improvement is more pronounced in long-horizon and contact-sensitive manipulation tasks, demonstrating the effectiveness of explicit spatial-intent modeling as a bridge between visual world modeling and robot control.

Current safety evaluations for LLM-driven agents primarily focus on atomic harms, failing to address sophisticated threats where malicious intent is concealed or diluted within complex tasks. We address this gap with a two-dimensional analysis of agent safety brittleness under the orthogonal pressures of intent concealment and task complexity. To enable this, we introduce OASIS (Orthogonal Agent Safety Inquiry Suite), a hierarchical benchmark with fine-grained annotations and a high-fidelity simulation sandbox. Our findings reveal two critical phenomena: safety alignment degrades sharply and predictably as intent becomes obscured, and a "Complexity Paradox" emerges, where agents seem safer on harder tasks only due to capability limitations. By releasing OASIS and its simulation environment, we provide a principled foundation for probing and strengthening agent safety in these overlooked dimensions.

Large language models succeed by combining large-scale pretraining with meaningful discrete tokens. In molecular machine learning, SMILES is widely used as a token representation, but it is primarily a linearization format for molecular graphs rather than a semantic decomposition of chemistry. We propose VQ-Atom, a semantic tokenization framework that assigns discrete atom-level tokens based on local chemical environments via vector quantization. Unlike SMILES tokens, VQ-Atom tokens encode graph-local chemical context and are aligned with molecular structure. On protein-cold drug--target interaction prediction using the KIBA dataset, VQ-Atom substantially improves global ranking performance, achieving AUROC of 0.79 while substantially outperforming both SMILES-based and continuous molecular representations under an identical downstream architecture. Furthermore, VQ-Atom enables approximately 3 times faster downstream training than continuous atom-level representations by replacing per-atom continuous features with reusable discrete tokens. These results suggest that molecular tokenization is not merely a preprocessing step, but a central design choice. In particular, well-structured tokens can encode substantial chemical semantics, reducing the burden on downstream learning. VQ-Atom can be interpreted as defining a molecular language, where tokens correspond to chemically meaningful atomic environments, suggesting that token design may constitute an additional axis of machine learning research alongside architecture, objectives, and optimization.

Intent detection and slot filling are important tasks in spoken and natural language understanding. However, Vietnamese is a low-resource language in these research topics. In this paper, we present the first public intent detection and slot filling dataset for Vietnamese. In addition, we also propose a joint model for intent detection and slot filling, that extends the recent state-of-the-art JointBERT+CRF model with an intent-slot attention layer to explicitly incorporate intent context information into slot filling via "soft" intent label embedding. Experimental results on our Vietnamese dataset show that our proposed model significantly outperforms JointBERT+CRF. We publicly release our dataset and the implementation of our model at: https://github.com/VinAIResearch/JointIDSF

Many chemical concepts can be well defined in the context of quantum chemical theories. Examples are the electronegativity scale of Mulliken and Jaffe and the hard and soft acids and bases concept of Pearson. The sound theoretical basis allows for a systematic definition of such concepts. However, while they are often used to describe and compare chemical processes in terms of reactivity, their predictive power remains unclear. In this work, we elaborate on the predictive potential of chemical reactivity concepts, which can be crucial for autonomous reaction exploration protocols to guide them by first-principles heuristics that expoit these concepts.

Foundational machine learning interatomic potentials that can accurately and efficiently model a vast range of materials are critical for accelerating atomistic discovery. We introduce universal potentials based on the graph atomic cluster expansion (GRACE) framework, trained on several of the largest available materials datasets. Through comprehensive benchmarks, we demonstrate that the GRACE models establish a new Pareto front for accuracy versus efficiency among foundational interatomic potentials. We further showcase their exceptional versatility by adapting them to specialized tasks and simpler architectures via fine-tuning and knowledge distillation, achieving high accuracy while preventing catastrophic forgetting. This work establishes GRACE as a robust and adaptable foundation for the next generation of atomistic modeling, enabling high-fidelity simulations across the periodic table.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

Accurate intent classification is critical for efficient routing in customer service, ensuring customers are connected with the most suitable agents while reducing handling times and operational costs. However, as companies expand their product lines, intent classification faces scalability challenges due to the increasing number of intents and variations in taxonomy across different verticals. In this paper, we introduce REIC, a Retrieval-augmented generation Enhanced Intent Classification approach, which addresses these challenges effectively. REIC leverages retrieval-augmented generation (RAG) to dynamically incorporate relevant knowledge, enabling precise classification without the need for frequent retraining. Through extensive experiments on real-world datasets, we demonstrate that REIC outperforms traditional fine-tuning, zero-shot, and few-shot methods in large-scale customer service settings. Our results highlight its effectiveness in both in-domain and out-of-domain scenarios, demonstrating its potential for real-world deployment in adaptive and large-scale intent classification systems.

The study of the long-time dynamics of quantum systems can be a real challenge, especially in systems like ultracold gases, where the required timescales may be longer than the lifetime of the system itself. In this work, we show that it is possible to access the long-time dynamics of a strongly repulsive atomic gas mixture in shorter times. The shortcut-to-dynamics protocol that we propose does not modify the fate of the observables, but effectively jumps ahead in time without changing the system's inherent evolution. Just like the next-chapter button in a movie player that allows to quickly reach the part of the movie one wants to watch, it is a leap into the future.

This report is a primarily survey on the chemical nature of some exotic species containing the positively charged muon and the muonic Helium, i.e., the negatively charged muon plus helium nucleus, as exotic isotopes of hydrogen, using the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions. Accordingly, the "atoms in molecules" analysis performed on various asymmetric exotic isotopomers of hydrogen molecule, recently detected experimentally [Science 331, 448 (2011)], demonstrates that both the exotic isotopes are capable of forming atoms in molecules and retaining the identity of hydrogen atom. Various derived properties of atomic basins containing muonic helium cast no doubt that apart from its short life time, it is a heavier isotope of hydrogen while the properties of basins containing the positively charged muon are more remote from those of the orthodox hydrogen basins, capable of appreciable donation of electrons as well as large charge polarization; however, with some tolerance, they may be categorized also as hydrogen basins though with a smaller electronegativity. All in all, present study also clearly demonstrates that the MC-QTAIM analysis is an efficient approach to decipher the chemical nature of species containing exotic constituents, hard to be elucidated by experimental and/or alternative theoretical schemes.

The rise of personal assistant agents, e.g., OpenClaw, highlights the growing potential of large language models to support users across everyday life and work. A core challenge in these settings is proactive assistance, since users often begin with underspecified requests and leave important needs, constraints, or preferences unstated. However, existing benchmarks rarely evaluate whether agents can identify and act on such hidden intents before they are explicitly stated, especially in sustained multi-turn interactions where user needs emerge gradually. To address this gap, we introduce π-Bench, a benchmark for proactive assistance comprising 100 multi-turn tasks across 5 domain-specific user personas. By incorporating hidden user intents, inter-task dependencies, and cross-session continuity, π-Bench evaluates agents' ability to anticipate and address user needs over extended interactions, jointly measuring proactivity and task completion in long-horizon trajectories that better reflect real-world use. Experiments show (1) proactive assistance remains challenging, (2) a clear distinction between task completion and proactivity, and (3) the value of prior interaction for proactive intent resolution in later tasks.

A law practitioner has to go through numerous lengthy legal case proceedings for their practices of various categories, such as land dispute, corruption, etc. Hence, it is important to summarize these documents, and ensure that summaries contain phrases with intent matching the category of the case. To the best of our knowledge, there is no evaluation metric that evaluates a summary based on its intent. We propose an automated intent-based summarization metric, which shows a better agreement with human evaluation as compared to other automated metrics like BLEU, ROUGE-L etc. in terms of human satisfaction. We also curate a dataset by annotating intent phrases in legal documents, and show a proof of concept as to how this system can be automated. Additionally, all the code and data to generate reproducible results is available on Github.

A law practitioner has to go through a lot of long legal case proceedings. To understand the motivation behind the actions of different parties/individuals in a legal case, it is essential that the parts of the document that express an intent corresponding to the case be clearly understood. In this paper, we introduce a dataset of 93 legal documents, belonging to the case categories of either Murder, Land Dispute, Robbery, or Corruption, where phrases expressing intent same as the category of the document are annotated. Also, we annotate fine-grained intents for each such phrase to enable a deeper understanding of the case for a reader. Finally, we analyze the performance of several transformer-based models in automating the process of extracting intent phrases (both at a coarse and a fine-grained level), and classifying a document into one of the possible 4 categories, and observe that, our dataset is challenging, especially in the case of fine-grained intent classification.

Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range electrostatic effects. We present a new electrostatic foundation model for molecular chemistry that extends the MACE architecture with explicit treatment of long-range interactions and electrostatic induction. Our approach combines local many-body geometric features with a non-self-consistent field formalism that updates learnable charge and spin densities through polarisable iterations to model induction, followed by global charge equilibration via learnable Fukui functions to control total charge and total spin. This design enables an accurate and physical description of systems with varying charge and spin states while maintaining computational efficiency. Trained on the OMol25 dataset of 100 million hybrid DFT calculations, our models achieve chemical accuracy across diverse benchmarks, with accuracy competitive with hybrid DFT on thermochemistry, reaction barriers, conformational energies, and transition metal complexes. Notably, we demonstrate that the inclusion of long-range electrostatics leads to a large improvement in the description of non-covalent interactions and supramolecular complexes over non-electrostatic models, including sub-kcal/mol prediction of molecular crystal formation energy in the X23-DMC dataset and a fourfold improvement over short-ranged models on protein-ligand interactions. The model's ability to handle variable charge and spin states, respond to external fields, provide interpretable spin-resolved charge densities, and maintain accuracy from small molecules to protein-ligand complexes positions it as a versatile tool for computational molecular chemistry and drug discovery.

Large language models (LLMs) have demonstrated remarkable potential in transforming recommender systems from implicit behavioral pattern matching to explicit intent reasoning. While RecGPT-V1 successfully pioneered this paradigm by integrating LLM-based reasoning into user interest mining and item tag prediction, it suffers from four fundamental limitations: (1) computational inefficiency and cognitive redundancy across multiple reasoning routes; (2) insufficient explanation diversity in fixed-template generation; (3) limited generalization under supervised learning paradigms; and (4) simplistic outcome-focused evaluation that fails to match human standards. To address these challenges, we present RecGPT-V2 with four key innovations. First, a Hierarchical Multi-Agent System restructures intent reasoning through coordinated collaboration, eliminating cognitive duplication while enabling diverse intent coverage. Combined with Hybrid Representation Inference that compresses user-behavior contexts, our framework reduces GPU consumption by 60% and improves exclusive recall from 9.39% to 10.99%. Second, a Meta-Prompting framework dynamically generates contextually adaptive prompts, improving explanation diversity by +7.3%. Third, constrained reinforcement learning mitigates multi-reward conflicts, achieving +24.1% improvement in tag prediction and +13.0% in explanation acceptance. Fourth, an Agent-as-a-Judge framework decomposes assessment into multi-step reasoning, improving human preference alignment. Online A/B tests on Taobao demonstrate significant improvements: +2.98% CTR, +3.71% IPV, +2.19% TV, and +11.46% NER. RecGPT-V2 establishes both the technical feasibility and commercial viability of deploying LLM-powered intent reasoning at scale, bridging the gap between cognitive exploration and industrial utility.

In real-life scenarios, humans seek out objects in the 3D world to fulfill their daily needs or intentions. This inspires us to introduce 3D intention grounding, a new task in 3D object detection employing RGB-D, based on human intention, such as "I want something to support my back". Closely related, 3D visual grounding focuses on understanding human reference. To achieve detection based on human intention, it relies on humans to observe the scene, reason out the target that aligns with their intention ("pillow" in this case), and finally provide a reference to the AI system, such as "A pillow on the couch". Instead, 3D intention grounding challenges AI agents to automatically observe, reason and detect the desired target solely based on human intention. To tackle this challenge, we introduce the new Intent3D dataset, consisting of 44,990 intention texts associated with 209 fine-grained classes from 1,042 scenes of the ScanNet dataset. We also establish several baselines based on different language-based 3D object detection models on our benchmark. Finally, we propose IntentNet, our unique approach, designed to tackle this intention-based detection problem. It focuses on three key aspects: intention understanding, reasoning to identify object candidates, and cascaded adaptive learning that leverages the intrinsic priority logic of different losses for multiple objective optimization.

Modern dialog managers face the challenge of having to fulfill human-level conversational skills as part of common user expectations, including but not limited to discourse with no clear objective. Along with these requirements, agents are expected to extrapolate intent from the user's dialogue even when subjected to non-canonical forms of speech. This depends on the agent's comprehension of paraphrased forms of such utterances. Especially in low-resource languages, the lack of data is a bottleneck that prevents advancements of the comprehension performance for these types of agents. In this regard, here we demonstrate the necessity of extracting the intent argument of non-canonical directives in a natural language format, which may yield more accurate parsing, and suggest guidelines for building a parallel corpus for this purpose. Following the guidelines, we construct a Korean corpus of 50K instances of question/command-intent pairs, including the labels for classification of the utterance type. We also propose a method for mitigating class imbalance, demonstrating the potential applications of the corpus generation method and its multilingual extensibility.

We formalize action emergence as a target capability for end-to-end autonomous driving: the ability to generate physically feasible, semantically appropriate, and safety-compliant actions in arbitrary, long-tail traffic scenes through scene-conditioned reasoning rather than retrieval or interpolation of learned scene-action mappings. We show that previous paradigms cannot deliver action emergence: autoregressive trajectory decoders collapse the inherently multimodal future into a single averaged output, while diffusion and flow-matching generators express multimodality but are not steerable by reasoned intent. We propose Streaming Intent as a concrete way to approach action emergence: a mechanism that makes driving intent (i) semantically streamed through a continuous chain-of-thought that causally derives the intent from scene understanding, and (ii) temporally streamed across clips so that intent commitments remain coherent along the driving horizon. We realize Streaming Intent in a VLA model we call SI (Streaming Intent). SI autoregressively decodes a four-step chain-of-thought and emits an intent token; the decoded intent then drives classifier-free guidance (CFG) on a flow-matching action head, requiring only two denoising steps to generate the final trajectory. On the Waymo End-to-End benchmark, SI achieves competitive aggregate performance, with an RFS score of 7.96 on the validation set and 7.74 on the test set. Beyond aggregate metrics, the model demonstrates -- to our knowledge for the first time in a fully end-to-end VLA -- intent-faithful controllability: for a fixed scene, varying the intent class at inference yields qualitatively distinct yet consistently high-quality plans, arising purely from data-driven learning without any pre-built trajectory bank or hand-coded post-hoc selector.

Emotion and Intent Joint Understanding in Multimodal Conversation (MC-EIU) aims to decode the semantic information manifested in a multimodal conversational history, while inferring the emotions and intents simultaneously for the current utterance. MC-EIU is enabling technology for many human-computer interfaces. However, there is a lack of available datasets in terms of annotation, modality, language diversity, and accessibility. In this work, we propose an MC-EIU dataset, which features 7 emotion categories, 9 intent categories, 3 modalities, i.e., textual, acoustic, and visual content, and two languages, i.e., English and Mandarin. Furthermore, it is completely open-source for free access. To our knowledge, MC-EIU is the first comprehensive and rich emotion and intent joint understanding dataset for multimodal conversation. Together with the release of the dataset, we also develop an Emotion and Intent Interaction (EI^2) network as a reference system by modeling the deep correlation between emotion and intent in the multimodal conversation. With comparative experiments and ablation studies, we demonstrate the effectiveness of the proposed EI^2 method on the MC-EIU dataset. The dataset and codes will be made available at: https://github.com/MC-EIU/MC-EIU.

The user purchase behaviors are mainly influenced by their intentions (e.g., buying clothes for decoration, buying brushes for painting, etc.). Modeling a user's latent intention can significantly improve the performance of recommendations. Previous works model users' intentions by considering the predefined label in auxiliary information or introducing stochastic data augmentation to learn purposes in the latent space. However, the auxiliary information is sparse and not always available for recommender systems, and introducing stochastic data augmentation may introduce noise and thus change the intentions hidden in the sequence. Therefore, leveraging user intentions for sequential recommendation (SR) can be challenging because they are frequently varied and unobserved. In this paper, Intent contrastive learning with Cross Subsequences for sequential Recommendation (ICSRec) is proposed to model users' latent intentions. Specifically, ICSRec first segments a user's sequential behaviors into multiple subsequences by using a dynamic sliding operation and takes these subsequences into the encoder to generate the representations for the user's intentions. To tackle the problem of no explicit labels for purposes, ICSRec assumes different subsequences with the same target item may represent the same intention and proposes a coarse-grain intent contrastive learning to push these subsequences closer. Then, fine-grain intent contrastive learning is mentioned to capture the fine-grain intentions of subsequences in sequential behaviors. Extensive experiments conducted on four real-world datasets demonstrate the superior performance of the proposed ICSRec model compared with baseline methods.

We develop a framework for on-the-fly machine learned force field molecular dynamics simulations based on the multipole featurization scheme that overcomes the bottleneck with the number of chemical elements. Considering bulk systems with up to 6 elements, we demonstrate that the number of density functional theory calls remains approximately independent of the number of chemical elements, in contrast to the increase in the smooth overlap of atomic positions scheme.

While GUI agents have shown strong performance under explicit and completion instructions, real-world deployment requires aligning with users' more complex implicit intents. In this work, we highlight Hierarchical Implicit Intent Alignment for Personalized GUI Agent (PersonalAlign), a new agent task that requires agents to leverage long-term user records as persistent context to resolve omitted preferences in vague instructions and anticipate latent routines by user state for proactive assistance. To facilitate this study, we introduce AndroidIntent, a benchmark designed to evaluate agents' ability in resolving vague instructions and providing proactive suggestions through reasoning over long-term user records. We annotated 775 user-specific preferences and 215 routines from 20k long-term records across different users for evaluation. Furthermore, we introduce Hierarchical Intent Memory Agent (HIM-Agent), which maintains a continuously updating personal memory and hierarchically organizes user preferences and routines for personalization. Finally, we evaluate a range of GUI agents on AndroidIntent, including GPT-5, Qwen3-VL, and UI-TARS, further results show that HIM-Agent significantly improves both execution and proactive performance by 15.7% and 7.3%.

Natural language serves as the primary mode of communication when an intelligent agent with a physical presence engages with human beings. While a plethora of research focuses on natural language understanding (NLU), encompassing endeavors such as sentiment analysis, intent prediction, question answering, and summarization, the scope of NLU directed at situations necessitating tangible actions by an embodied agent remains limited. The inherent ambiguity and incompleteness inherent in natural language present challenges for intelligent agents striving to decipher human intention. To tackle this predicament head-on, we introduce a novel system known as task and argument grounding for Embodied agents (tagE). At its core, our system employs an inventive neural network model designed to extract a series of tasks from complex task instructions expressed in natural language. Our proposed model adopts an encoder-decoder framework enriched with nested decoding to effectively extract tasks and their corresponding arguments from these intricate instructions. These extracted tasks are then mapped (or grounded) to the robot's established collection of skills, while the arguments find grounding in objects present within the environment. To facilitate the training and evaluation of our system, we have curated a dataset featuring complex instructions. The results of our experiments underscore the prowess of our approach, as it outperforms robust baseline models.

This work focuses on in-context data augmentation for intent detection. Having found that augmentation via in-context prompting of large pre-trained language models (PLMs) alone does not improve performance, we introduce a novel approach based on PLMs and pointwise V-information (PVI), a metric that can measure the usefulness of a datapoint for training a model. Our method first fine-tunes a PLM on a small seed of training data and then synthesizes new datapoints - utterances that correspond to given intents. It then employs intent-aware filtering, based on PVI, to remove datapoints that are not helpful to the downstream intent classifier. Our method is thus able to leverage the expressive power of large language models to produce diverse training data. Empirical results demonstrate that our method can produce synthetic training data that achieve state-of-the-art performance on three challenging intent detection datasets under few-shot settings (1.28% absolute improvement in 5-shot and 1.18% absolute in 10-shot, on average) and perform on par with the state-of-the-art in full-shot settings (within 0.01% absolute, on average).

Every act of language generation compresses a rich internal state into a single token sequence. We call this process intention collapse: a many-to-one projection from a high dimensional intention space I into an external language space L. We formalize intention collapse for contemporary language models, define three simple, model agnostic intention metrics (intention entropy Hint, effective dimensionality dimeff, and latent knowledge recoverability Recov), and propose an empirical agenda for studying how inference time computation shapes internal intentions before they are verbalized. We also report a first small scale experiment. Using a 4 bit Mistral 7B model on 200 GSM8K problems, we compare a direct answer baseline, a chain of thought (CoT) regime, and a babble control. CoT raises accuracy from 5.5 percent to 53 percent, sharply reduces pre collapse intention entropy (from 1.42 to 0.37 bits), and shows higher global effective dimensionality than the other regimes despite producing fewer tokens than babble. At the same time, Hint has little item level predictive power, and a linear probe on I achieves AUROC 0.65 in the CoT regime but only about chance in the baseline regime, where it collapses to the majority class. These preliminary results indicate that intention level metrics can distinguish inference regimes and expose latent information that is partly lost during collapse, while also revealing important limitations of our current proxies

Graphical User Interface (GUI) agents have the potential to assist users in interacting with complex software (e.g., PowerPoint, Photoshop). While prior research has primarily focused on automating user actions through clicks and keystrokes, this paradigm overlooks human intention, where users value the ability to explore, iterate, and refine their ideas while maintaining agency. To move beyond automation and toward collaboration, GUI agents must understand what users are doing and why. We introduce GUIDE (GUI User Intent Detection Evaluation), a benchmark that evaluates AI models on their ability to perceive user behavior, infer intent, and provide assistance in open-ended GUI tasks. GUIDE consists of 67.5 hours of screen recordings from 120 novice user demonstrations with think-aloud narrations, across 10 software. GUIDE defines three tasks - (i) Behavior State Detection, (ii) Intent Prediction, and (iii) Help Prediction that test a model's ability to recognize behavior state, reason about goals, and decide when and how to help. Evaluations across eight state-of-the-art multimodal models reveal that all models struggled, achieving only 44.6% and 55.0% accuracy on behavior state and help prediction. However, providing user context significantly improved the performance, raising help prediction by up to 50.2pp, highlighting the critical role of structured user understanding in effective assistance. Our dataset is available at https://guide-bench.github.io.

Multimodal intent recognition poses significant challenges, requiring the incorporation of non-verbal modalities from real-world contexts to enhance the comprehension of human intentions. Existing benchmark datasets are limited in scale and suffer from difficulties in handling out-of-scope samples that arise in multi-turn conversational interactions. We introduce MIntRec2.0, a large-scale benchmark dataset for multimodal intent recognition in multi-party conversations. It contains 1,245 dialogues with 15,040 samples, each annotated within a new intent taxonomy of 30 fine-grained classes. Besides 9,304 in-scope samples, it also includes 5,736 out-of-scope samples appearing in multi-turn contexts, which naturally occur in real-world scenarios. Furthermore, we provide comprehensive information on the speakers in each utterance, enriching its utility for multi-party conversational research. We establish a general framework supporting the organization of single-turn and multi-turn dialogue data, modality feature extraction, multimodal fusion, as well as in-scope classification and out-of-scope detection. Evaluation benchmarks are built using classic multimodal fusion methods, ChatGPT, and human evaluators. While existing methods incorporating nonverbal information yield improvements, effectively leveraging context information and detecting out-of-scope samples remains a substantial challenge. Notably, large language models exhibit a significant performance gap compared to humans, highlighting the limitations of machine learning methods in the cognitive intent understanding task. We believe that MIntRec2.0 will serve as a valuable resource, providing a pioneering foundation for research in human-machine conversational interactions, and significantly facilitating related applications. The full dataset and codes are available at https://github.com/thuiar/MIntRec2.0.

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in Electronic-structure Reasoning (MASTER), an active learning framework where large language models autonomously design, execute, and interpret atomistic simulations. In MASTER, a multimodal system translates natural language into density functional theory workflows, while higher-level reasoning agents guide discovery through a hierarchy of strategies, including a single agent baseline and three multi-agent approaches: peer review, triage-ranking, and triage-forms. Across two chemical applications, CO adsorption on Cu-surface transition metal (M) adatoms and on M-N-C catalysts, reasoning-driven exploration reduces required atomistic simulations by up to 90% relative to trial-and-error selection. Reasoning trajectories reveal chemically grounded decisions that cannot be explained by stochastic sampling or semantic bias. Altogether, multi-agent collaboration accelerates materials discovery and marks a new paradigm for autonomous scientific exploration.

Intent classification and slot-filling are essential tasks of Spoken Language Understanding (SLU). In most SLUsystems, those tasks are realized by independent modules. For about fifteen years, models achieving both of themjointly and exploiting their mutual enhancement have been proposed. A multilingual module using a joint modelwas envisioned to create a touristic dialogue system for a European project, HumanE-AI-Net. A combination ofmultiple datasets, including the MEDIA dataset, was suggested for training this joint model. The MEDIA SLU datasetis a French dataset distributed since 2005 by ELRA, mainly used by the French research community and free foracademic research since 2020. Unfortunately, it is annotated only in slots but not intents. An enhanced version ofMEDIA annotated with intents has been built to extend its use to more tasks and use cases. This paper presents thesemi-automatic methodology used to obtain this enhanced version. In addition, we present the first results of SLUexperiments on this enhanced dataset using joint models for intent classification and slot-filling.

Traditional neural network models for intent inference rely heavily on observable states and struggle to generalize across diverse tasks and dynamic environments. Recent advances in Vision Language Models (VLMs) and Vision Language Action (VLA) models introduce common-sense reasoning through large-scale multimodal pretraining, enabling zero-shot performance across tasks. However, these models still lack explicit mechanisms to represent and update belief, limiting their ability to reason like humans or capture the evolving human intent over long-horizon. To address this, we propose a belief-aware VLM framework that integrates retrieval-based memory and reinforcement learning. Instead of learning an explicit belief model, we approximate belief using a vector-based memory that retrieves relevant multimodal context, which is incorporated into the VLM for reasoning. We further refine decision-making using a reinforcement learning policy over the VLM latent space. We evaluate our approach on publicly available VQA datasets such as HD-EPIC and demonstrate consistent improvements over zero-shot baselines, highlighting the importance of belief-aware reasoning.

The energy levels of hydrogen-like atoms are obtained from the phase-space quantization, one of the pillars of the old quantum theory, by three different methods - (i) direct integration, (ii) Sommerfeld's original method, and (iii) complex integration. The difficulties come from the imposition of elliptical orbits to the electron, resulting in a variable radial component of the linear momentum. Details of the calculation, which constitute a recurrent gap in textbooks that deal with phase-space quantization, are shown in depth in an accessible fashion for students of introductory quantum mechanics courses.

The rise of Large Language Model (LLM)-based web agents represents a significant shift in automated interactions with the web. Unlike traditional crawlers that follow simple conventions, such as robots.txt, modern agents engage with websites in sophisticated ways: navigating complex interfaces, extracting structured information, and completing end-to-end tasks. Existing governance mechanisms were not designed for these capabilities. Without a way to specify what interactions are and are not allowed, website owners increasingly rely on blanket blocking and CAPTCHAs, which undermine beneficial applications such as efficient automation, convenient use of e-commerce services, and accessibility tools. We introduce agent-permissions.json, a robots.txt-style lightweight manifest where websites specify allowed interactions, complemented by API references where available. This framework provides a low-friction coordination mechanism: website owners only need to write a simple JSON file, while agents can easily parse and automatically implement the manifest's provisions. Website owners can then focus on blocking non-compliant agents, rather than agents as a whole. By extending the spirit of robots.txt to the era of LLM-mediated interaction, and complementing data use initiatives such as AIPref, the manifest establishes a compliance framework that enables beneficial agent interactions while respecting site owners' preferences.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

Intent detection, a critical component in task-oriented dialogue (TOD) systems, faces significant challenges in adapting to the rapid influx of integrable tools with complex interrelationships. Existing approaches, such as zero-shot reformulations and LLM-based dynamic recognition, struggle with performance degradation when encountering unseen intents, leading to erroneous task routing. To enhance the model's generalization performance on unseen tasks, we employ Reinforcement Learning (RL) combined with a Reward-based Curriculum Sampling (RCS) during Group Relative Policy Optimization (GRPO) training in intent detection tasks. Experiments demonstrate that RL-trained models substantially outperform supervised fine-tuning (SFT) baselines in generalization. Besides, the introduction of the RCS, significantly bolsters the effectiveness of RL in intent detection by focusing the model on challenging cases during training. Moreover, incorporating Chain-of-Thought (COT) processes in RL notably improves generalization in complex intent detection tasks, underscoring the importance of thought in challenging scenarios. This work advances the generalization of intent detection tasks, offering practical insights for deploying adaptable dialogue systems.

Embodied foundation models have achieved significant breakthroughs in robotic manipulation, yet they still depend heavily on large-scale robot demonstrations. Although recent works have explored leveraging human data to alleviate this dependency, effectively extracting transferable knowledge remains a significant challenge due to the inherent embodiment gap between human and robot. We argue that the intention underlying human actions can serve as a powerful intermediate representation for bridging this gap. In this paper, we introduce a novel framework that explicitly learns and transfers human intention to facilitate robotic manipulation. Specifically, we model intention through gaze, as it naturally precedes physical actions and serves as an observable proxy for human intent. Our model is first pretrained on a large-scale egocentric human dataset to capture human intention and its synergy with action, followed by finetuning on a small set of robot and human data. During inference, the model adopts a Chain-of-Thought reasoning paradigm, sequentially predicting intention before executing the action. Extensive evaluations in simulation and real-world settings, across long-horizon and fine-grained tasks, and under few-shot and robustness benchmarks, show that our method consistently outperforms strong baselines, generalizes better, and achieves state-of-the-art performance. Project page: https://gazevla.github.io .

Current language model-driven agents often lack mechanisms for effective user participation, which is crucial given the vagueness commonly found in user instructions. Although adept at devising strategies and performing tasks, these agents struggle with seeking clarification and grasping precise user intentions. To bridge this gap, we introduce Intention-in-Interaction (IN3), a novel benchmark designed to inspect users' implicit intentions through explicit queries. Next, we propose the incorporation of model experts as the upstream in agent designs to enhance user-agent interaction. Employing IN3, we empirically train Mistral-Interact, a powerful model that proactively assesses task vagueness, inquires user intentions, and refines them into actionable goals before starting downstream agent task execution. Integrating it into the XAgent framework, we comprehensively evaluate the enhanced agent system regarding user instruction understanding and execution, revealing that our approach notably excels at identifying vague user tasks, recovering and summarizing critical missing information, setting precise and necessary agent execution goals, and minimizing redundant tool usage, thus boosting overall efficiency. All the data and codes are released.

The tasks of out-of-domain (OOD) intent discovery and generalized intent discovery (GID) aim to extend a closed intent classifier to open-world intent sets, which is crucial to task-oriented dialogue (TOD) systems. Previous methods address them by fine-tuning discriminative models. Recently, although some studies have been exploring the application of large language models (LLMs) represented by ChatGPT to various downstream tasks, it is still unclear for the ability of ChatGPT to discover and incrementally extent OOD intents. In this paper, we comprehensively evaluate ChatGPT on OOD intent discovery and GID, and then outline the strengths and weaknesses of ChatGPT. Overall, ChatGPT exhibits consistent advantages under zero-shot settings, but is still at a disadvantage compared to fine-tuned models. More deeply, through a series of analytical experiments, we summarize and discuss the challenges faced by LLMs including clustering, domain-specific understanding, and cross-domain in-context learning scenarios. Finally, we provide empirical guidance for future directions to address these challenges.

We introduce a new task called Referring Atomic Video Action Recognition (RAVAR), aimed at identifying atomic actions of a particular person based on a textual description and the video data of this person. This task differs from traditional action recognition and localization, where predictions are delivered for all present individuals. In contrast, we focus on recognizing the correct atomic action of a specific individual, guided by text. To explore this task, we present the RefAVA dataset, containing 36,630 instances with manually annotated textual descriptions of the individuals. To establish a strong initial benchmark, we implement and validate baselines from various domains, e.g., atomic action localization, video question answering, and text-video retrieval. Since these existing methods underperform on RAVAR, we introduce RefAtomNet -- a novel cross-stream attention-driven method specialized for the unique challenges of RAVAR: the need to interpret a textual referring expression for the targeted individual, utilize this reference to guide the spatial localization and harvest the prediction of the atomic actions for the referring person. The key ingredients are: (1) a multi-stream architecture that connects video, text, and a new location-semantic stream, and (2) cross-stream agent attention fusion and agent token fusion which amplify the most relevant information across these streams and consistently surpasses standard attention-based fusion on RAVAR. Extensive experiments demonstrate the effectiveness of RefAtomNet and its building blocks for recognizing the action of the described individual. The dataset and code will be made publicly available at https://github.com/KPeng9510/RAVAR.

Large Language Models (LLMs) have shown promise in automating code generation and software engineering tasks, yet they often struggle with complex, multi-file projects due to context limitations and knowledge gaps. We propose a novel context engineering workflow that combines multiple AI components: an Intent Translator (GPT-5) for clarifying user requirements, an Elicit-powered semantic literature retrieval for injecting domain knowledge, NotebookLM-based document synthesis for contextual understanding, and a Claude Code multi-agent system for code generation and validation. Our integrated approach leverages intent clarification, retrieval-augmented generation, and specialized sub-agents orchestrated via Claude's agent framework. We demonstrate that this method significantly improves the accuracy and reliability of code assistants in real-world repositories, yielding higher single-shot success rates and better adherence to project context than baseline single-agent approaches. Qualitative results on a large Next.js codebase show the multi-agent system effectively plans, edits, and tests complex features with minimal human intervention. We compare our system with recent frameworks like CodePlan, MASAI, and HyperAgent, highlighting how targeted context injection and agent role decomposition lead to state-of-the-art performance. Finally, we discuss the implications for deploying LLM-based coding assistants in production, along with lessons learned on context management and future research directions.

Empathetic response generation necessitates the integration of emotional and intentional dynamics to foster meaningful interactions. Existing research either neglects the intricate interplay between emotion and intent, leading to suboptimal controllability of empathy, or resorts to large language models (LLMs), which incur significant computational overhead. In this paper, we introduce ReflectDiffu, a lightweight and comprehensive framework for empathetic response generation. This framework incorporates emotion contagion to augment emotional expressiveness and employs an emotion-reasoning mask to pinpoint critical emotional elements. Additionally, it integrates intent mimicry within reinforcement learning for refinement during diffusion. By harnessing an intent twice reflect the mechanism of Exploring-Sampling-Correcting, ReflectDiffu adeptly translates emotional decision-making into precise intent actions, thereby addressing empathetic response misalignments stemming from emotional misrecognition. Through reflection, the framework maps emotional states to intents, markedly enhancing both response empathy and flexibility. Comprehensive experiments reveal that ReflectDiffu outperforms existing models regarding relevance, controllability, and informativeness, achieving state-of-the-art results in both automatic and human evaluations.

Query understanding is a fundamental problem in information retrieval (IR), which has attracted continuous attention through the past decades. Many different tasks have been proposed for understanding users' search queries, e.g., query classification or query clustering. However, it is not that precise to understand a search query at the intent class/cluster level due to the loss of many detailed information. As we may find in many benchmark datasets, e.g., TREC and SemEval, queries are often associated with a detailed description provided by human annotators which clearly describes its intent to help evaluate the relevance of the documents. If a system could automatically generate a detailed and precise intent description for a search query, like human annotators, that would indicate much better query understanding has been achieved. In this paper, therefore, we propose a novel Query-to-Intent-Description (Q2ID) task for query understanding. Unlike those existing ranking tasks which leverage the query and its description to compute the relevance of documents, Q2ID is a reverse task which aims to generate a natural language intent description based on both relevant and irrelevant documents of a given query. To address this new task, we propose a novel Contrastive Generation model, namely CtrsGen for short, to generate the intent description by contrasting the relevant documents with the irrelevant documents given a query. We demonstrate the effectiveness of our model by comparing with several state-of-the-art generation models on the Q2ID task. We discuss the potential usage of such Q2ID technique through an example application.

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array.

With the advancements in hardware, software, and large language model technologies, the interaction between humans and operating systems has evolved from the command-line interface to the rapidly emerging AI agent interactions. Building an operating system (OS) agent capable of executing user instructions and faithfully following user desires is becoming a reality. In this technical report, we present ColorAgent, an OS agent designed to engage in long-horizon, robust interactions with the environment while also enabling personalized and proactive user interaction. To enable long-horizon interactions with the environment, we enhance the model's capabilities through step-wise reinforcement learning and self-evolving training, while also developing a tailored multi-agent framework that ensures generality, consistency, and robustness. In terms of user interaction, we explore personalized user intent recognition and proactive engagement, positioning the OS agent not merely as an automation tool but as a warm, collaborative partner. We evaluate ColorAgent on the AndroidWorld and AndroidLab benchmarks, achieving success rates of 77.2% and 50.7%, respectively, establishing a new state of the art. Nonetheless, we note that current benchmarks are insufficient for a comprehensive evaluation of OS agents and propose further exploring directions in future work, particularly in the areas of evaluation paradigms, agent collaboration, and security. Our code is available at https://github.com/MadeAgents/mobile-use.

Multimodal Large Language Models (MLLMs) have demonstrated remarkable video reasoning capabilities across diverse tasks. However, their ability to understand human intent at a fine-grained level in egocentric videos remains largely unexplored. Existing benchmarks focus primarily on episode-level intent reasoning, overlooking the finer granularity of step-level intent understanding. Yet applications such as intelligent assistants, robotic imitation learning, and augmented reality guidance require understanding not only what a person is doing at each step, but also why and what comes next, in order to provide timely and context-aware support. To this end, we introduce EgoIntent, a step-level intent understanding benchmark for egocentric videos. It comprises 3,014 steps spanning 15 diverse indoor and outdoor daily-life scenarios, and evaluates models on three complementary dimensions: local intent (What), global intent (Why), and next-step plan (Next). Crucially, each clip is truncated immediately before the key outcome of the queried step (e.g., contact or grasp) occurs and contains no frames from subsequent steps, preventing future-frame leakage and enabling a clean evaluation of anticipatory step understanding and next-step planning. We evaluate 15 MLLMs, including both state-of-the-art closed-source and open-source models. Even the best-performing model achieves an average score of only 33.31 across the three intent dimensions, underscoring that step-level intent understanding in egocentric videos remains a highly challenging problem that calls for further investigation.

We study budget-constrained tool-augmented agents, where a large language model must solve multi-step tasks by invoking external tools under a strict monetary budget. We formalize this setting as sequential decision making in context space with priced and stochastic tool executions, making direct planning intractable due to massive state-action spaces, high variance of outcomes and prohibitive exploration cost. To address these challenges, we propose INTENT, an inference-time planning framework that leverages an intention-aware hierarchical world model to anticipate future tool usage, risk-calibrated cost, and guide decisions online. Across cost-augmented StableToolBench, INTENT strictly enforces hard budget feasibility while substantially improving task success over baselines, and remains robust under dynamic market shifts such as tool price changes and varying budgets.

Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology, and enzyme engineering. Recent breakthroughs in Artificial Intelligence (AI) have revolutionized biomolecular research, achieving remarkable accuracy in biomolecular prediction and design. However, a critical gap remains between AI's computational power and researchers' intuition, using natural language to align molecular complexity with human intentions. Large Language Models (LLMs) have shown potential to interpret human intentions, yet their application to biomolecular research remains nascent due to challenges including specialized knowledge requirements, multimodal data integration, and semantic alignment between natural language and biomolecules. To address these limitations, we present InstructBioMol, a novel LLM designed to bridge natural language and biomolecules through a comprehensive any-to-any alignment of natural language, molecules, and proteins. This model can integrate multimodal biomolecules as input, and enable researchers to articulate design goals in natural language, providing biomolecular outputs that meet precise biological needs. Experimental results demonstrate InstructBioMol can understand and design biomolecules following human instructions. Notably, it can generate drug molecules with a 10% improvement in binding affinity and design enzymes that achieve an ESP Score of 70.4, making it the only method to surpass the enzyme-substrate interaction threshold of 60.0 recommended by the ESP developer. This highlights its potential to transform real-world biomolecular research.

The decay of metastable 'false vacuum' states via bubble nucleation plays a crucial role in many cosmological scenarios. Cold-atom analog experiments will soon provide the first empirical probes of this process, with potentially far-reaching implications for early-Universe cosmology and high-energy physics. However, an inevitable difference between these analog systems and the early Universe is that the former have a boundary. We show, using a combination of Euclidean calculations and real-time lattice simulations, that these boundaries generically cause rapid bubble nucleation on the edge of the experiment, obscuring the bulk nucleation that is relevant for cosmology. We demonstrate that implementing a high-density 'trench' region at the boundary completely eliminates this problem, and recovers the desired cosmological behavior. Our findings are relevant for ongoing efforts to probe vacuum decay in the laboratory, providing a practical solution to a key experimental obstacle.

Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds. We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst dataset in both energy and force prediction for numerous tasks and metrics.

In the previous article, we presented a quantum-inspired framework for modeling semantic representation and processing in Large Language Models (LLMs), drawing upon mathematical tools and conceptual analogies from quantum mechanics to offer a new perspective on these complex systems. In this paper, we clarify the core assumptions of this model, providing a detailed exposition of six key principles that govern semantic representation, interaction, and dynamics within LLMs. The goal is to justify that a quantum-inspired framework is a valid approach to studying semantic spaces. This framework offers valuable insights into their information processing and response generation, and we further discuss the potential of leveraging quantum computing to develop significantly more powerful and efficient LLMs based on these principles.

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fragments as building blocks, limiting the chemical space that can be accessed. In this work, we introduce Atomic GFlowNets (A-GFNs), a foundational generative model leveraging individual atoms as building blocks to explore drug-like chemical space more comprehensively. We propose an unsupervised pre-training approach using drug-like molecule datasets, which teaches A-GFNs about inexpensive yet informative molecular descriptors such as drug-likeliness, topological polar surface area, and synthetic accessibility scores. These properties serve as proxy rewards, guiding A-GFNs towards regions of chemical space that exhibit desirable pharmacological properties. We further implement a goal-conditioned finetuning process, which adapts A-GFNs to optimize for specific target properties. In this work, we pretrain A-GFN on a subset of ZINC dataset, and by employing robust evaluation metrics we show the effectiveness of our approach when compared to other relevant baseline methods for a wide range of drug design tasks. The code is accessible at https://github.com/diamondspark/AGFN.

AI-search evaluation commonly treats a prompt as a stable query that can be counted, classified, and replayed in isolation. A conversation makes that unit of analysis questionable: each user turn can add a constraint, revise an assumption, request evidence, or refer to alternatives established earlier. We replace latent "intent" with an observable construct, conversation-conditioned request state, and measure how that state is distributed across user turns. The analysis reuses frozen rules and the governed cohort of a preceding conversation study: 670 English commercial multi-turn conversations in a discovery-replication design and 7,463 public PRISM conversations from 1,389 participants. In the commercial corpus, the final prompt contains a median 35.6% of the session's unique user-side content vocabulary; in PRISM, the median is 36.4%. The final prompt contains at most half of that vocabulary in 68.4% and 74.3% of conversations, respectively. More importantly, transparent rules detect at least one request-state dimension in history but not in the final prompt in 50.3% of commercial conversations and 44.8% of PRISM conversations. Among dimension-bearing conversations, the final prompt reproduces the full observed dimension set in only 26.1% and 26.2%. At the same time, the final prompt adds a previously unseen dimension in 17.9% and 19.3%, showing that the endpoint is neither a summary nor merely a reference: it is often another state update. Length-matched nulls show that low lexical coverage is largely a consequence of turn length, so vocabulary results are interpreted as information availability, not semantic drift. The categorical results support session-level measurement for AI search. They do not estimate the causal effect of history on model answers.

User instructions are often underspecified because humans rely on implicit assumptions about the surrounding environment. For large language model (LLM) agents operating in information-rich digital and physical environments, these assumptions cannot be inferred from the instruction alone; they must be recovered from the current state of tools, data, interfaces, and observations. Effective execution therefore requires agents to identify missing context, ground it in observed evidence, and carry it forward into subsequent actions. We show that current agents often fail to do so. They act from assumed rather than observed specifics, overlook information they could have gathered, and fail to incorporate evidence that has already been returned. Building on this insight, we propose ACCORD (Action-Conditioned Contextual Grounding), a simple and effective agent framework for adaptive grounding. Before each action, ACCORD actively probes the environment for missing information and integrates relevant context from the agent's trajectory that would otherwise be overlooked. Requiring no additional training or task-success signals, ACCORD improves task-goal completion on AppWorld by up to +20.6 points with GPT-5-mini, from 42.0% to 62.6%, compared to strong baselines. These gains persist with a substantially stronger base model (+10.8 with Claude-4.5-sonnet), an open-weight model (+10.1 with Qwen3.5-27B-FP8), and on the embodied AlfWorld benchmark (+7.4 success rate with GPT-5-mini).

Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii) implicitly, using a property predictor. However, training property predictors or conditional diffusion models requires an abundance of labeled data and is inherently challenging in real-world applications. We propose a novel approach that attenuates the limitations of acquiring large labeled datasets by leveraging domain knowledge from quantum chemistry as a non-differentiable oracle to guide an unconditional diffusion model. Instead of relying on neural networks, the oracle provides accurate guidance in the form of estimated gradients, allowing the diffusion process to sample from a conditional distribution specified by quantum chemistry. We show that this results in more precise conditional generation of novel and stable molecular structures. Our experiments demonstrate that our method: (1) significantly reduces atomic forces, enhancing the validity of generated molecules when used for stability optimization; (2) is compatible with both explicit and implicit guidance in diffusion models, enabling joint optimization of molecular properties and stability; and (3) generalizes effectively to molecular optimization tasks beyond stability optimization.

Smart contracts on the blockchain offer decentralized financial services but often lack robust security measures, leading to significant economic losses. While substantial research has focused on identifying vulnerabilities in smart contracts, a notable gap remains in evaluating the malicious intent behind their development. To address this, we introduce SmartIntentNN (Smart Contract Intent Neural Network), a deep learning-based tool designed to automate the detection of developers' intent in smart contracts. Our approach integrates a Universal Sentence Encoder for contextual representation of smart contract code, employs a K-means clustering algorithm to highlight intent-related code features, and utilizes a bidirectional LSTM-based multi-label classification network to predict ten distinct categories of unsafe intent. Evaluations on 10,000 real-world smart contracts demonstrate that SmartIntentNN surpasses all baselines, achieving an F1-score of 0.8633. A demo video is available at https://youtu.be/otT0fDYjwK8.

To handle ambiguous and open-ended requests, Large Language Models (LLMs) are increasingly trained to interact with users to surface intents they have not yet expressed (e.g., ask clarification questions). However, users are often ambiguous because they have not yet formed their intents: they must observe and explore outcomes to discover what they want. Simply asking "what kind of tone do you want?" fails when users themselves do not know. We introduce DiscoverLLM, a novel and generalizable framework that trains LLMs to help users form and discover their intents. Central to our approach is a novel user simulator that models cognitive state with a hierarchy of intents that progressively concretize as the model surfaces relevant options -- where the degree of concretization serves as a reward signal that models can be trained to optimize. Resulting models learn to collaborate with users by adaptively diverging (i.e., explore options) when intents are unclear, and converging (i.e., refine and implement) when intents concretize. Across proposed interactive benchmarks in creative writing, technical writing, and SVG drawing, DiscoverLLM achieves over 10% higher task performance while reducing conversation length by up to 40%. In a user study with 75 human participants, DiscoverLLM improved conversation satisfaction and efficiency compared to baselines.

Malicious intent in smart contract development can lead to substantial economic losses. SmartIntentNN is a deep learning model specifically designed to identify unsafe intents in smart contracts. This model integrates the Universal Sentence Encoder, a K-means clustering-based intent highlighting mechanism, and a Bidirectional Long Short-Term Memory network for multi-label classification, achieving an F1 of 0.8633 in distinguishing ten different intent categories. In this study, we present an upgraded version of this model, SmartIntentNN2 (Smart Contract Intent Neural Network V2). A significant enhancement in V2 is the incorporation of a BERT-based pre-trained language model, which has been trained on a dataset of 16,000 real smart contracts using a Masked Language Modeling objective. SmartIntentNN2 retains the BiLSTM-based multi-label classification network. With an improved F1 of 0.927, V2 demonstrates enhanced performance compared to its predecessor, establishing itself as the state-of-the-art model for smart contract intent detection.

Training capable OS agents requires data that simultaneously captures structured user intents, multi-turn task delegation, and grounded tool execution--properties absent from existing datasets. We propose ISE (Intent -> Simulate -> Execute), a three-stage synthesis paradigm that addresses these gaps jointly. Stage 1 constructs roughly 50000 structured intents via a 4D framework (Persona x Domain x Task x Complexity); after deduplication the pool contains 43956 unique intents and attains a Vendi Score of 61.57 over the entire pool on mpnet-base-v2 embeddings (cosine kernel, q=1). Stage 2 drives multi-turn user-agent interaction through a role-locked user simulator that grounds each user turn in actual execution outcomes, producing 23132 complete trajectories averaging 8.12 user turns and 68.24 total dialogue turns. Stage 3 runs every tool call inside a live, isolated OS workspace, generating authentic failure-recovery dynamics instead of simulated responses. Fine-tuning on ISETrace improves ClawEval pass@1 from 19.3 to 37.7 using Qwen3-8B on agent tool-use tasks with a standard protocol. This result outperforms zero-shot GPT-4o and the larger Qwen3-32B base model which is four times bigger. An ablation on Stage 2 proves multi-turn simulation brings a large portion of the performance gain. We release all source code and dataset at https://github.com/Valiere01/ISE-Trace.

Predicting how a person's first-person view will evolve (what action will follow, what plan completes a task, whether an in-progress shot will score) is fundamentally under-specified: the same context admits many plausible futures, and a model trained to minimize prediction error is forced to hedge or average across them, getting it wrong either way. Two findings shape our approach. First, the future camera trajectory, the path the head carves through space, lets the model commit to one of those futures: it carries the operator's intent in a form fine enough to determine how an action will unfold, substantially outperforming language as a conditioning signal. Second, this same intent makes the trajectory itself partially predictable from the context at hand, enough that trajectory need not be observed at test time to recover most of the gain. We instantiate these findings as TrajPilot, a model that predicts candidate future trajectories from egocentric context and uses them to pilot action prediction in an action-aligned embedding space where language shapes the structure but is never used as a conditioning input. TrajPilot beats VLM and structured-planner baselines on procedural planning across Ego-Exo4D atomic, Ego-Exo4D Keystep, Ego4D GoalStep, and EgoPER, with the trajectory advantage widening with horizon (exactly where prior planners collapse) and holding under RGB-only camera-pose estimation. With the goal masked at inference, the same model performs goal-free anticipation, beating VLM baselines on Ego-Exo4D atomic and extending to EPIC-Kitchens-100 and basketball shot-outcome prediction.

Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used approaches such as Density Functional Theory (DFT) frequently fail for this task due to deficiencies that are well recognized. However, for high-fidelity approaches, creating large datasets of energies and forces for reactive processes to train machine learning interatomic potentials or force fields is daunting. For example, the use of the unrestricted coupled cluster level of theory has previously been seen as unfeasible due to high computational costs, the lack of analytical gradients in many computational codes, and additional challenges such as constructing suitable basis set corrections for forces. In this work, we develop new methods and workflows to overcome the challenges inherent to automating unrestricted coupled cluster calculations. Using these advancements, we create a dataset of gas-phase reactions containing energies and forces for 3119 different organic molecules configurations calculated at the gold-standard level of unrestricted CCSD(T) (coupled cluster singles doubles and perturbative triples). With this dataset, we provide an analysis of the differences between the density functional and unrestricted CCSD(T) descriptions. We develop a transferable machine learning interatomic potential for gas-phase reactions, trained on unrestricted CCSD(T) data, and demonstrate the advantages of transitioning away from DFT data. Transitioning from training to DFT to training to UCCSD(T) datasets yields an improvement of more than 0.1 eV/Å in force accuracy and over 0.1 eV in activation energy reproduction.

The rapid emergence of open-source, locally hosted intelligent agents marks a critical inflection point in human-computer interaction. Systems such as OpenClaw demonstrate that Large Language Model (LLM)-based agents can autonomously operate local computing environments, orchestrate workflows, and integrate external tools. However, within the current paradigm, these agents remain conventional applications running on legacy operating systems originally designed for Graphical User Interfaces (GUIs) or Command Line Interfaces (CLIs). This architectural mismatch leads to fragmented interaction models, poorly structured permission management (often described as "Shadow AI"), and severe context fragmentation. This paper proposes a new paradigm: a Personal Agent Operating System (AgentOS). In AgentOS, traditional GUI desktops are replaced by a Natural User Interface (NUI) centered on a unified natural language or voice portal. The system core becomes an Agent Kernel that interprets user intent, decomposes tasks, and coordinates multiple agents, while traditional applications evolve into modular Skills-as-Modules enabling users to compose software through natural language rules. We argue that realizing AgentOS fundamentally becomes a Knowledge Discovery and Data Mining (KDD) problem. The Agent Kernel must operate as a real-time engine for intent mining and knowledge discovery. Viewed through this lens, the operating system becomes a continuous data mining pipeline involving sequential pattern mining for workflow automation, recommender systems for skill retrieval, and dynamically evolving personal knowledge graphs. These challenges define a new research agenda for the KDD community in building the next generation of intelligent computing systems.

Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems - such as molecules and materials - the generative processes are usually highly specific to the target system despite the underlying physics being the same. We introduce the All-atom Diffusion Transformer (ADiT), a unified latent diffusion framework for jointly generating both periodic materials and non-periodic molecular systems using the same model: (1) An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and (2) A diffusion model is trained to generate new latent embeddings that the autoencoder can decode to sample new molecules or materials. Experiments on QM9 and MP20 datasets demonstrate that jointly trained ADiT generates realistic and valid molecules as well as materials, exceeding state-of-the-art results from molecule and crystal-specific models. ADiT uses standard Transformers for both the autoencoder and diffusion model, resulting in significant speedups during training and inference compared to equivariant diffusion models. Scaling ADiT up to half a billion parameters predictably improves performance, representing a step towards broadly generalizable foundation models for generative chemistry. Open source code: https://github.com/facebookresearch/all-atom-diffusion-transformer

Dense retrieval has become a prominent method to obtain relevant context or world knowledge in open-domain NLP tasks. When we use a learned dense retriever on a retrieval corpus at inference time, an often-overlooked design choice is the retrieval unit in which the corpus is indexed, e.g. document, passage, or sentence. We discover that the retrieval unit choice significantly impacts the performance of both retrieval and downstream tasks. Distinct from the typical approach of using passages or sentences, we introduce a novel retrieval unit, proposition, for dense retrieval. Propositions are defined as atomic expressions within text, each encapsulating a distinct factoid and presented in a concise, self-contained natural language format. We conduct an empirical comparison of different retrieval granularity. Our results reveal that proposition-based retrieval significantly outperforms traditional passage or sentence-based methods in dense retrieval. Moreover, retrieval by proposition also enhances the performance of downstream QA tasks, since the retrieved texts are more condensed with question-relevant information, reducing the need for lengthy input tokens and minimizing the inclusion of extraneous, irrelevant information.

Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs has been trained from scratch because learning additional data typically requires to train again on all data to not forget previously acquired knowledge. Additionally, most common structural descriptors of MLPs cannot represent efficiently a large number of different chemical elements. In this work, we tackle these problems by introducing element-embracing atom-centered symmetry functions (eeACSFs) which combine structural properties and element information from the periodic table. These eeACSFs are a key for our development of a lifelong machine learning potential (lMLP). Uncertainty quantification can be exploited to transgress a fixed, pre-trained MLP to arrive at a continuously adapting lMLP, because a predefined level of accuracy can be ensured. To extend the applicability of an lMLP to new systems, we apply continual learning strategies to enable autonomous and on-the-fly training on a continuous stream of new data. For the training of deep neural networks, we propose the continual resilient (CoRe) optimizer and incremental learning strategies relying on rehearsal of data, regularization of parameters, and the architecture of the model.

Task-oriented dialogue systems often face difficulties when user utterances seem semantically complete but lack necessary structural information for appropriate system action. This arises because users frequently do not fully understand their own needs, while systems require precise intent definitions. Current LLM-based agents cannot effectively distinguish between linguistically complete and contextually triggerable expressions, lacking frameworks for collaborative intent formation. We present STORM, a framework modeling asymmetric information dynamics through conversations between UserLLM (full internal access) and AgentLLM (observable behavior only). STORM produces annotated corpora capturing expression trajectories and latent cognitive transitions, enabling systematic analysis of collaborative understanding development. Our contributions include: (1) formalizing asymmetric information processing in dialogue systems; (2) modeling intent formation tracking collaborative understanding evolution; and (3) evaluation metrics measuring internal cognitive improvements alongside task performance. Experiments across four language models reveal that moderate uncertainty (40-60%) can outperform complete transparency in certain scenarios, with model-specific patterns suggesting reconsideration of optimal information completeness in human-AI collaboration. These findings contribute to understanding asymmetric reasoning dynamics and inform uncertainty-calibrated dialogue system design.

As LM agents gain the ability to execute actions on real computer systems, we need ways to not only prevent harmful actions at scale but also effectively remediate harm when prevention fails. We formalize a solution to this neglected challenge in post-execution safeguards as harm recovery: the problem of optimally steering an agent from a harmful state back to a safe one in alignment with human preferences. We ground preference-aligned recovery through a formative user study that identifies valued recovery dimensions and produces a natural language rubric. Our dataset of 1,150 pairwise judgments reveals context-dependent shifts in attribute importance, such as preferences for pragmatic, targeted strategies over comprehensive long-term approaches. We operationalize these learned insights in a reward model, re-ranking multiple candidate recovery plans generated by an agent scaffold at test time. To evaluate recovery capabilities systematically, we introduce BackBench, a benchmark of 50 computer-use tasks that test an agent's ability to recover from harmful states. Human evaluation shows our reward model scaffold yields higher-quality recovery trajectories than base agents and rubric-based scaffolds. Together, these contributions lay the foundation for a new class of agent safety methods -- ones that confront harm not only by preventing it, but by navigating its aftermath with alignment and intent.

Vision-Language-Action (VLA) models have recently shown strong potential for robot learning by following language instructions. However, in practice, language alone is often insufficient to precisely convey human intent. It is difficult to describe which exact object to interact with among similar candidates, where to act on the object, or how the target may change during execution. To address this limitation, we propose Gaze2Act, a novel VLA framework that leverages human gaze as a dynamic and intuitive intent signal for complex interactive manipulation. Gaze2Act first bridges the ego-exo view gap by mapping first-person gaze into the robot's perspective through cross-view semantic matching, producing both an object mask and a gaze point for coarse-to-fine target specification. These cues are then integrated into the policy through perception-level prompting and action-level conditioning, allowing the robot to attend to relevant regions and execute precise interactions under dynamic intent. In a systematic evaluation across seven task categories and 16 real-robot tasks on a Unitree G1 humanoid, Gaze2Act achieves state-of-the-art performance in both intent accuracy and task success rate. It notably outperforms baselines in object disambiguation, fine-grained interaction, and dynamic intent steering. These results demonstrate that human gaze provides a natural, low-burden, and highly expressive modality for human-in-the-loop VLA control.

Intent is defined for understanding spoken language in existing works. Both textual features and acoustic features involved in medical speech contain intent, which is important for symptomatic diagnosis. In this paper, we propose a medical speech classification model named DRSC that automatically learns to disentangle intent and content representations from textual-acoustic data for classification. The intent representations of the text domain and the Mel-spectrogram domain are extracted via intent encoders, and then the reconstructed text feature and the Mel-spectrogram feature are obtained through two exchanges. After combining the intent from two domains into a joint representation, the integrated intent representation is fed into a decision layer for classification. Experimental results show that our model obtains an average accuracy rate of 95% in detecting 25 different medical symptoms.

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical accuracy on the scale of milliseconds. FCHL19 is a revision of our previous work [Faber et al. 2018] where the representation is discretized and the individual features are rigorously optimized using Monte Carlo optimization. Combined with a Gaussian kernel function that incorporates elemental screening, chemical accuracy is reached for energy learning on the QM7b and QM9 datasets after training for minutes and hours, respectively. The model also shows good performance for non-bonded interactions in the condensed phase for a set of water clusters with an MAE binding energy error of less than 0.1 kcal/mol/molecule after training on 3,200 samples. For force learning on the MD17 dataset, our optimized model similarly displays state-of-the-art accuracy with a regressor based on Gaussian process regression. When the revised FCHL19 representation is combined with the operator quantum machine learning regressor, forces and energies can be predicted in only a few milliseconds per atom. The model presented herein is fast and lightweight enough for use in general chemistry problems as well as molecular dynamics simulations.

Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to efficiently navigate chemical space. Scientific foundation models trained on large unlabeled datasets offer a path toward exploring chemical space across diverse application domains. Here we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenization scheme that comprehensively captures nuclear, electronic, and geometric information, MIST learns from a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure -- property relationships and match or exceed state-of-the-art performance across benchmarks spanning physiology, electrochemistry, and quantum chemistry. We demonstrate the ability of these models to solve real-world problems across chemical space, including multiobjective electrolyte solvent screening, olfactory perception mapping, isotope half-life prediction, stereochemical reasoning for chiral organometallic compounds, and binary and multi-component mixture property prediction. Probing MIST models using mechanistic interpretability methods reveals identifiable patterns and trends not explicitly present in the training data, suggesting that the models learn generalizable scientific concepts. We formulate hyperparameter-penalized Bayesian neural scaling laws and use them to reduce the computational cost of model development by an order of magnitude. The methods and findings presented here represent a significant step toward accelerating materials discovery, design, and optimization using foundation models and provide valuable guidance for training compute-optimal scientific foundation models.

Precision beta decay experiments serve as powerful probes of physics beyond the Standard Model, enabling stringent tests of fundamental symmetries of nature. In particular, these experiments primarily focus on precise determinations of the Cabibbo-Kobayashi-Maskawa matrix element Vud and the search for exotic weak currents, both of which depend critically on theoretical calculations of radiative, recoil-order, and isospin-breaking corrections with quantified uncertainties. In recent years, ab initio nuclear many-body methods--grounded in realistic nucleon-nucleon interactions and systematically improvable approximations--have advanced considerably in their ability to compute these higher-order corrections for various nuclei. This review provides a comprehensive overview of state-of-the-art ab initio calculations of beta-decay corrections, encompassing both radiative corrections and recoil-order terms, and examines their significance for precision tests of the Standard Model. We discuss the theoretical formalisms employed, including the integration of effective field theory frameworks with many-body approaches. Particular attention is given to recent results for superallowed Fermi decays (e.g., 10C -> 10B and 14O -> 14C) and allowed Gamow-Teller transitions (e.g., 6He -> 6Li, 8Li -> 8Be, 8B -> 8Be), where ab initio calculations have achieved unprecedented precision. We also highlight emerging calculations for unique forbidden decays, which offer complementary sensitivity to BSM physics. Finally, we outline future directions aimed at extending the reach of ab initio calculations to heavier nuclei and additional decay modes, thereby strengthening the synergy between theory and experiment in the ongoing search for new physics.