Daily Papers

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy - facilitating, interfering, or irrelevant - based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.

The advent of large language models (LLMs) has transformed information access and reasoning through open-ended natural language interaction. However, LLMs remain limited by static knowledge, factual hallucinations, and the inability to retrieve real-time or domain-specific information. Retrieval-Augmented Generation (RAG) mitigates these issues by grounding model outputs in external evidence, but traditional RAG pipelines are often single turn and heuristic, lacking adaptive control over retrieval and reasoning. Recent advances in agentic search address these limitations by enabling LLMs to plan, retrieve, and reflect through multi-step interaction with search environments. Within this paradigm, reinforcement learning (RL) offers a powerful mechanism for adaptive and self-improving search behavior. This survey provides the first comprehensive overview of RL-based agentic search, organizing the emerging field along three complementary dimensions: (i) What RL is for (functional roles), (ii) How RL is used (optimization strategies), and (iii) Where RL is applied (scope of optimization). We summarize representative methods, evaluation protocols, and applications, and discuss open challenges and future directions toward building reliable and scalable RL driven agentic search systems. We hope this survey will inspire future research on the integration of RL and agentic search. Our repository is available at https://github.com/ventr1c/Awesome-RL-based-Agentic-Search-Papers.

Post-training improves instruction-following and helpfulness of large language models (LLMs) but often reduces generation diversity, which leads to repetitive outputs in open-ended settings, a phenomenon known as mode collapse. Motivated by evidence that LLM layers play distinct functional roles, we hypothesize that mode collapse can be localized to specific layers and that restoring a carefully chosen range of layers to their pre-trained weights can recover diversity while maintaining high output quality. To validate this hypothesis and decide which layers to restore, we design a proxy task -- Constrained Random Character(CRC) -- with an explicit validity set and a natural diversity objective. Results on CRC reveal a clear diversity-validity trade-off across restoration ranges and identify configurations that increase diversity with minimal quality loss. Based on these findings, we propose Selective Layer Restoration (SLR), a training-free method that restores selected layers in a post-trained model to their pre-trained weights, yielding a hybrid model with the same architecture and parameter count, incurring no additional inference cost. Across three different tasks (creative writing, open-ended question answering, and multi-step reasoning) and three different model families (Llama, Qwen, and Gemma), we find SLR can consistently and substantially improve output diversity while maintaining high output quality.

How human interact with objects depends on the functional roles of the target objects, which introduces the problem of affordance-aware hand-object interaction. It requires a large number of human demonstrations for the learning and understanding of plausible and appropriate hand-object interactions. In this work, we present AffordPose, a large-scale dataset of hand-object interactions with affordance-driven hand pose. We first annotate the specific part-level affordance labels for each object, e.g. twist, pull, handle-grasp, etc, instead of the general intents such as use or handover, to indicate the purpose and guide the localization of the hand-object interactions. The fine-grained hand-object interactions reveal the influence of hand-centered affordances on the detailed arrangement of the hand poses, yet also exhibit a certain degree of diversity. We collect a total of 26.7K hand-object interactions, each including the 3D object shape, the part-level affordance label, and the manually adjusted hand poses. The comprehensive data analysis shows the common characteristics and diversity of hand-object interactions per affordance via the parameter statistics and contacting computation. We also conduct experiments on the tasks of hand-object affordance understanding and affordance-oriented hand-object interaction generation, to validate the effectiveness of our dataset in learning the fine-grained hand-object interactions. Project page: https://github.com/GentlesJan/AffordPose.

Long-form answers, consisting of multiple sentences, can provide nuanced and comprehensive answers to a broader set of questions. To better understand this complex and understudied task, we study the functional structure of long-form answers collected from three datasets, ELI5, WebGPT and Natural Questions. Our main goal is to understand how humans organize information to craft complex answers. We develop an ontology of six sentence-level functional roles for long-form answers, and annotate 3.9k sentences in 640 answer paragraphs. Different answer collection methods manifest in different discourse structures. We further analyze model-generated answers -- finding that annotators agree less with each other when annotating model-generated answers compared to annotating human-written answers. Our annotated data enables training a strong classifier that can be used for automatic analysis. We hope our work can inspire future research on discourse-level modeling and evaluation of long-form QA systems.

A basic question within the emerging field of mechanistic interpretability is the degree to which neural networks learn the same underlying mechanisms. In other words, are neural mechanisms universal across different models? In this work, we study the universality of individual neurons across GPT2 models trained from different initial random seeds, motivated by the hypothesis that universal neurons are likely to be interpretable. In particular, we compute pairwise correlations of neuron activations over 100 million tokens for every neuron pair across five different seeds and find that 1-5\% of neurons are universal, that is, pairs of neurons which consistently activate on the same inputs. We then study these universal neurons in detail, finding that they usually have clear interpretations and taxonomize them into a small number of neuron families. We conclude by studying patterns in neuron weights to establish several universal functional roles of neurons in simple circuits: deactivating attention heads, changing the entropy of the next token distribution, and predicting the next token to (not) be within a particular set.

Affordance segmentation aims to decompose 3D objects into parts that serve distinct functional roles, enabling models to reason about object interactions rather than mere recognition. Existing methods, mostly following the paradigm of 3D semantic segmentation or prompt-based frameworks, struggle when geometric cues are weak or ambiguous, as sparse point clouds provide limited functional information. To overcome this limitation, we leverage the rich semantic knowledge embedded in large-scale 2D Vision Foundation Models (VFMs) to guide 3D representation learning through a cross-modal alignment mechanism. Specifically, we propose Cross-Modal Affinity Transfer (CMAT), a pretraining strategy that compels the 3D encoder to align with the semantic structures induced by lifted 2D features. CMAT is driven by a core affinity alignment objective, supported by two auxiliary losses, geometric reconstruction and feature diversity, which together encourage structured and discriminative feature learning. Built upon the CMAT-pretrained backbone, we employ a lightweight affordance segmentor that injects text or visual prompts into the learned 3D space through an efficient cross-attention interface, enabling dense and prompt-aware affordance prediction while preserving the semantic organization established during pretraining. Extensive experiments demonstrate consistent improvements over previous state-of-the-art methods in both accuracy and efficiency.

World models, which are predictive representations of how environments evolve under actions, have become a central component of robot learning. They support policy learning, planning, simulation, evaluation, data generation, and have advanced rapidly with the rise of foundation models and large-scale video generation. However, the literature remains fragmented across architectures, functional roles, and embodied application domains. To address this gap, we present a comprehensive review of world models from a robot-learning perspective. We examine how world models are coupled with robot policies, how they serve as learned simulators for reinforcement learning and evaluation, and how robotic video world models have progressed from imagination-based generation to controllable, structured, and foundation-scale formulations. We further connect these ideas to navigation and autonomous driving, and summarize representative datasets, benchmarks, and evaluation protocols. Overall, this survey systematically reviews the rapidly growing literature on world models for robot learning, clarifies key paradigms and applications, and highlights major challenges and future directions for predictive modeling in embodied agents. To facilitate continued access to newly emerging works, benchmarks, and resources, we will maintain and regularly update the accompanying GitHub repository alongside this survey.

Autoregressive (AR) video diffusion models adopt a streaming generation framework, enabling long-horizon video generation with real-time responsiveness, as exemplified by the Self Forcing training paradigm. However, existing AR video diffusion models still suffer from significant attention complexity and severe memory overhead due to the redundant key-value (KV) caches across historical frames, which limits scalability. In this paper, we tackle this challenge by introducing KV cache compression into autoregressive video diffusion. We observe that attention heads in mainstream AR diffusion models exhibit markedly distinct attention patterns and functional roles that remain stable across samples and denoising steps. Building on our empirical study of head-wise functional specialization, we divide the attention heads into two categories: static heads, which focus on transitions across autoregressive chunks and intra-frame fidelity, and dynamic heads, which govern inter-frame motion and consistency. We then propose Forcing-KV, a hybrid KV cache compression strategy that performs structured static pruning for static heads and dynamic pruning based on segment-wise similarity for dynamic heads. While maintaining output quality, our method achieves a generation speed of over 29 frames per second on a single NVIDIA H200 GPU along with 30% cache memory reduction, delivering up to 1.35x and 1.50x speedups on LongLive and Self Forcing at 480P resolution, and further scaling to 2.82x speedup at 1080P resolution. Code and demo videos are provided at https://zju-jiyicheng.github.io/Forcing-KV-Page.

Large Language Models (LLMs) have achieved significant success in complex reasoning but remain bottlenecked by reliance on expert-annotated data and external verifiers. While existing self-evolution paradigms aim to bypass these constraints, they often fail to identify the optimal learning zone and risk reinforcing collective hallucinations and incorrect priors through flawed internal feedback. To address these challenges, we propose Autonomous Evolutionary Reasoning Optimization (AERO), an unsupervised framework that achieves autonomous reasoning evolution by internalizing self-questioning, answering, and criticism within a synergistic dual-loop system. Inspired by the Zone of Proximal Development (ZPD) theory, AERO utilizes entropy-based positioning to target the ``solvability gap'' and employs Independent Counterfactual Correction for robust verification. Furthermore, we introduce a Staggered Training Strategy to synchronize capability growth across functional roles and prevent curriculum collapse. Extensive evaluations across nine benchmarks spanning three domains demonstrate that AERO achieves average performance improvements of 4.57\% on Qwen3-4B-Base and 5.10\% on Qwen3-8B-Base, outperforming competitive baselines. Code is available at https://github.com/mira-ai-lab/AERO.

As enthusiasm for scaling computation (data and parameters) in the pretraining era gradually diminished, test-time scaling (TTS), also referred to as ``test-time computing'' has emerged as a prominent research focus. Recent studies demonstrate that TTS can further elicit the problem-solving capabilities of large language models (LLMs), enabling significant breakthroughs not only in specialized reasoning tasks, such as mathematics and coding, but also in general tasks like open-ended Q&A. However, despite the explosion of recent efforts in this area, there remains an urgent need for a comprehensive survey offering a systemic understanding. To fill this gap, we propose a unified, multidimensional framework structured along four core dimensions of TTS research: what to scale, how to scale, where to scale, and how well to scale. Building upon this taxonomy, we conduct an extensive review of methods, application scenarios, and assessment aspects, and present an organized decomposition that highlights the unique functional roles of individual techniques within the broader TTS landscape. From this analysis, we distill the major developmental trajectories of TTS to date and offer hands-on guidelines for practical deployment. Furthermore, we identify several open challenges and offer insights into promising future directions, including further scaling, clarifying the functional essence of techniques, generalizing to more tasks, and more attributions.

Mixture-of-Experts (MoE) has emerged as a powerful paradigm for scaling model capacity while preserving computational efficiency. Despite its notable success in large language models (LLMs), existing attempts to apply MoE to Diffusion Transformers (DiTs) have yielded limited gains. We attribute this gap to fundamental differences between language and visual tokens. Language tokens are semantically dense with pronounced inter-token variation, while visual tokens exhibit spatial redundancy and functional heterogeneity, hindering expert specialization in vision MoE. To this end, we present ProMoE, an MoE framework featuring a two-step router with explicit routing guidance that promotes expert specialization. Specifically, this guidance encourages the router to partition image tokens into conditional and unconditional sets via conditional routing according to their functional roles, and refine the assignments of conditional image tokens through prototypical routing with learnable prototypes based on semantic content. Moreover, the similarity-based expert allocation in latent space enabled by prototypical routing offers a natural mechanism for incorporating explicit semantic guidance, and we validate that such guidance is crucial for vision MoE. Building on this, we propose a routing contrastive loss that explicitly enhances the prototypical routing process, promoting intra-expert coherence and inter-expert diversity. Extensive experiments on ImageNet benchmark demonstrate that ProMoE surpasses state-of-the-art methods under both Rectified Flow and DDPM training objectives. Code and models will be made publicly available.

The recent advancement in video temporal grounding (VTG) has significantly enhanced fine-grained video understanding, primarily driven by multimodal large language models (MLLMs). With superior multimodal comprehension and reasoning abilities, VTG approaches based on MLLMs (VTG-MLLMs) are gradually surpassing traditional fine-tuned methods. They not only achieve competitive performance but also excel in generalization across zero-shot, multi-task, and multi-domain settings. Despite extensive surveys on general video-language understanding, comprehensive reviews specifically addressing VTG-MLLMs remain scarce. To fill this gap, this survey systematically examines current research on VTG-MLLMs through a three-dimensional taxonomy: 1) the functional roles of MLLMs, highlighting their architectural significance; 2) training paradigms, analyzing strategies for temporal reasoning and task adaptation; and 3) video feature processing techniques, which determine spatiotemporal representation effectiveness. We further discuss benchmark datasets, evaluation protocols, and summarize empirical findings. Finally, we identify existing limitations and propose promising research directions. For additional resources and details, readers are encouraged to visit our repository at https://github.com/ki-lw/Awesome-MLLMs-for-Video-Temporal-Grounding.

Graphs provide a natural representation of relational structure that arises across diverse domains. Despite this ubiquity, graph structure is typically learned in a modality- and task-isolated manner, where graph representations are constructed within individual task contexts and discarded thereafter. As a result, structural regularities across modalities and tasks are repeatedly reconstructed rather than accumulated at the level of intermediate graph representations. This motivates a representation-learning question: how should graph structure be organized so that it can persist and accumulate across heterogeneous modalities and tasks? We adopt a representation-centric perspective in which graph structure is treated as a structural substrate that persists across learning contexts. To instantiate this perspective, we propose G-Substrate, a graph substrate framework that organizes learning around shared graph structures. G-Substrate comprises two complementary mechanisms: a unified structural schema that ensures compatibility among graph representations across heterogeneous modalities and tasks, and an interleaved role-based training strategy that exposes the same graph structure to multiple functional roles during learning. Experiments across multiple domains, modalities, and tasks show that G-Substrate outperforms task-isolated and naive multi-task learning methods. The codebase, model, and datasets are available at https://github.com/zmli6/G-Substrate.

While Hybrid Supervised Fine-Tuning (SFT) followed by Reinforcement Learning (RL) has become the standard paradigm for training LLM agents, effective mechanisms for data allocation between these stages remain largely underexplored. Current data arbitration strategies often rely on surface-level heuristics that fail to diagnose intrinsic learning needs. Since SFT targets pattern consolidation through imitation while RL drives structural adaptation via exploration, misaligning data with these functional roles causes severe optimization interference. We propose PRISM, a dynamics-aware framework grounded in Schema Theory that arbitrates data based on its degree of cognitive conflict with the model's existing knowledge. By analyzing the spatial geometric structure of gradients, PRISM identifies data triggering high spatial concentration as high-conflict signals that require RL for structural restructuring. In contrast, data yielding diffuse updates is routed to SFT for efficient consolidation. Extensive experiments on WebShop and ALFWorld demonstrate that PRISM achieves a Pareto improvement, outperforming state-of-the-art hybrid methods while reducing computational costs by up to 3.22times. Our findings suggest that disentangling data based on internal optimization regimes is crucial for scalable and robust agent alignment.

This paper introduces the N-Way Self-Evaluating Deliberation (NSED) protocol, a Runtime Mixture-of-Models (MoM) architecture that constructs emergent composite models from a plurality of distinct expert agents. Unlike traditional Mixture-of-Experts (MoE) which rely on static gating networks, NSED employs a Dynamic Expertise Broker - a runtime optimization engine that treats model selection as a variation of the Knapsack Problem, binding heterogeneous checkpoints to functional roles based on live telemetry and cost constraints. At the execution layer, we formalize deliberation as a Macro-Scale Recurrent Neural Network (RNN), where the consensus state loops back through a semantic forget gate to enable iterative refinement without proportional VRAM scaling. Key components include an orchestration fabric for trustless N-to-N peer review, a Quadratic Voting activation function for non-linear consensus, and a feedback-driven state update. Empirical validation on challenging benchmarks (AIME 2025, LiveCodeBench) demonstrates that this topology allows ensembles of small (less than 20B) consumer-grade models to match or exceed the performance of state-of-the-art 100B+ parameter models, establishing a new hardware arbitrage efficiency frontier. Furthermore, testing on the DarkBench safety suite reveals intrinsic alignment properties, with peer-mediated correction reducing sycophancy scores below that of any individual agent.

Unlike human-engineered systems such as aeroplanes, where each component's role and dependencies are well understood, the inner workings of AI models remain largely opaque, hindering verifiability and undermining trust. This paper introduces SemanticLens, a universal explanation method for neural networks that maps hidden knowledge encoded by components (e.g., individual neurons) into the semantically structured, multimodal space of a foundation model such as CLIP. In this space, unique operations become possible, including (i) textual search to identify neurons encoding specific concepts, (ii) systematic analysis and comparison of model representations, (iii) automated labelling of neurons and explanation of their functional roles, and (iv) audits to validate decision-making against requirements. Fully scalable and operating without human input, SemanticLens is shown to be effective for debugging and validation, summarizing model knowledge, aligning reasoning with expectations (e.g., adherence to the ABCDE-rule in melanoma classification), and detecting components tied to spurious correlations and their associated training data. By enabling component-level understanding and validation, the proposed approach helps bridge the "trust gap" between AI models and traditional engineered systems. We provide code for SemanticLens on https://github.com/jim-berend/semanticlens and a demo on https://semanticlens.hhi-research-insights.eu.

This paper investigates how Transformer language models (LMs) fine-tuned for acceptability classification capture linguistic features. Our approach uses the best practices of topological data analysis (TDA) in NLP: we construct directed attention graphs from attention matrices, derive topological features from them, and feed them to linear classifiers. We introduce two novel features, chordality, and the matching number, and show that TDA-based classifiers outperform fine-tuning baselines. We experiment with two datasets, CoLA and RuCoLA in English and Russian, typologically different languages. On top of that, we propose several black-box introspection techniques aimed at detecting changes in the attention mode of the LMs during fine-tuning, defining the LM's prediction confidences, and associating individual heads with fine-grained grammar phenomena. Our results contribute to understanding the behavior of monolingual LMs in the acceptability classification task, provide insights into the functional roles of attention heads, and highlight the advantages of TDA-based approaches for analyzing LMs. We release the code and the experimental results for further uptake.

While contemporary large language models (LLMs) are increasingly capable in isolation, there are still many difficult problems that lie beyond the abilities of a single LLM. For such tasks, there is still uncertainty about how best to take many LLMs as parts and combine them into a greater whole. This position paper argues that potential blueprints for designing such modular language agents can be found in the existing literature on cognitive models and artificial intelligence (AI) algorithms. To make this point clear, we formalize the idea of an agent template that specifies roles for individual LLMs and how their functionalities should be composed. We then survey a variety of existing language agents in the literature and highlight their underlying templates derived directly from cognitive models or AI algorithms. By highlighting these designs, we aim to call attention to agent templates inspired by cognitive science and AI as a powerful tool for developing effective, interpretable language agents.

Scaling large language models (LLMs) demands approaches that increase capacity without incurring excessive parameter growth or inference cost. Depth Up-Scaling (DUS) has emerged as a promising strategy by duplicating layers and applying Continual Pre-training (CPT), but its reliance on feed-forward networks (FFNs) limits efficiency and attainable gains. We introduce Memory-Infused Depth Up-Scaling (MIDUS), which replaces FFNs in duplicated blocks with a head-wise memory (HML) layer. Motivated by observations that attention heads have distinct roles both across and within layers, MIDUS assigns an independent memory bank to each head, enabling head-wise retrieval and injecting information into subsequent layers while preserving head-wise functional structure. This design combines sparse memory access with head-wise representations and incorporates an efficient per-head value factorization module, thereby relaxing the usual efficiency-performance trade-off. Across our CPT experiments, MIDUS exhibits robust performance improvements over strong DUS baselines while maintaining a highly efficient parameter footprint. Our findings establish MIDUS as a compelling and resource-efficient alternative to conventional FFN replication for depth up-scaling by leveraging its head-wise memory design.

Current Large Language Models (LLMs) are unparalleled in their ability to generate grammatically correct, fluent text. LLMs are appearing rapidly, and debates on LLM capacities have taken off, but reflection is lagging behind. Thus, in this position paper, we first zoom in on the debate and critically assess three points recurring in critiques of LLM capacities: i) that LLMs only parrot statistical patterns in the training data; ii) that LLMs master formal but not functional language competence; and iii) that language learning in LLMs cannot inform human language learning. Drawing on empirical and theoretical arguments, we show that these points need more nuance. Second, we outline a pragmatic perspective on the issue of `real' understanding and intentionality in LLMs. Understanding and intentionality pertain to unobservable mental states we attribute to other humans because they have pragmatic value: they allow us to abstract away from complex underlying mechanics and predict behaviour effectively. We reflect on the circumstances under which it would make sense for humans to similarly attribute mental states to LLMs, thereby outlining a pragmatic philosophical context for LLMs as an increasingly prominent technology in society.

We investigate the functional role of emergent outliers in large language models, specifically attention sinks (a few tokens that consistently receive large attention logits) and residual sinks (a few fixed dimensions with persistently large activations across most tokens). We hypothesize that these outliers, in conjunction with the corresponding normalizations (e.g., softmax attention and RMSNorm), effectively rescale other non-outlier components. We term this phenomenon outlier-driven rescaling and validate this hypothesis across different model architectures and training token counts. This view unifies the origin and mitigation of both sink types. Our main conclusions and observations include: (1) Outliers function jointly with normalization: removing normalization eliminates the corresponding outliers but degrades training stability and performance; directly clipping outliers while retaining normalization leads to degradation, indicating that outlier-driven rescaling contributes to training stability. (2) Outliers serve more as rescale factors rather than contributors, as the final contributions of attention and residual sinks are significantly smaller than those of non-outliers. (3) Outliers can be absorbed into learnable parameters or mitigated via explicit gated rescaling, leading to improved training performance (average gain of 2 points) and enhanced quantization robustness (1.2 points degradation under W4A4 quantization).

Image-to-fMRI encoding is important for both neuroscience research and practical applications. However, such "Brain-Encoders" have been typically trained per-subject and per fMRI-dataset, thus restricted to very limited training data. In this paper we propose a Universal Brain-Encoder, which can be trained jointly on data from many different subjects/datasets/machines. What makes this possible is our new voxel-centric Encoder architecture, which learns a unique "voxel-embedding" per brain-voxel. Our Encoder trains to predict the response of each brain-voxel on every image, by directly computing the cross-attention between the brain-voxel embedding and multi-level deep image features. This voxel-centric architecture allows the functional role of each brain-voxel to naturally emerge from the voxel-image cross-attention. We show the power of this approach to (i) combine data from multiple different subjects (a "Crowd of Brains") to improve each individual brain-encoding, (ii) quick & effective Transfer-Learning across subjects, datasets, and machines (e.g., 3-Tesla, 7-Tesla), with few training examples, and (iii) use the learned voxel-embeddings as a powerful tool to explore brain functionality (e.g., what is encoded where in the brain).

Vision Language Models (VLMs) have achieved remarkable success by integrating visual encoders with large language models (LLMs). While VLMs process dense image tokens across deep transformer stacks (incurring substantial computational overhead), it remains fundamentally unclear whether sustained image-token processing is necessary for their performance or visual representations meaningfully evolve from early to later layers. In this work, we systematically investigate the functional role of image tokens in VLMs and show that visual representations rapidly converge to a bounded-complexity regime, \ie their entropy stabilizes, intrinsic dimensionality compresses, and trajectory curvature approaches a near-constant profile. In contrast, textual representations continue to undergo substantial restructuring across depth. Once stabilized, visual representations become largely interchangeable between layers, indicating limited additional transformation in deeper stages. Further, depth-wise visual truncation reveals that the necessity of visual processing is task-dependent, where single-token predictions remain comparatively robust to truncated visual depth, but multi-token generation require sustained access to visual representations. Under deterministic decoding, reducing visual depth perturbs intermediate reasoning trajectories more strongly than final outputs, suggesting that image tokens influence the structure of reasoning more than the ultimate conclusions. Collectively, these findings question the assumption that deeper visual processing is uniformly essential in VLMs, challenging the current paradigm of multimodal LLM architectures.

Continual learning aims to enable neural networks to acquire new knowledge without forgetting previously learned information. While recent prompt-based methods perform strongly in class-incremental settings, they remain vulnerable under domain shifts, where the input distribution changes but the label space remains fixed. This exposes a persistent problem known as representation drift. Shared representations evolve in ways that overwrite previously useful features and cause forgetting even when prompts isolate task-specific parameters. To address this issue, we introduce InTAct, a method that preserves functional behavior in shared layers without freezing parameters or storing past data. InTAct captures the characteristic activation ranges associated with previously learned tasks and constrains updates to ensure the network remains consistent within these regions, while still allowing for flexible adaptation elsewhere. In doing so, InTAct stabilizes the functional role of important neurons rather than directly restricting parameter values. The approach is architecture-agnostic and integrates seamlessly into existing prompt-based continual learning frameworks. By regulating representation changes where past knowledge is encoded, InTAct achieves a principled balance between stability and plasticity. Across diverse domain-incremental benchmarks, including DomainNet and ImageNet-R, InTAct consistently reduces representation drift and improves performance, increasing Average Accuracy by up to 8 percentage points over state-of-the-art baselines.

Recent research on Chain-of-Thought (CoT) reasoning in Large Language Models (LLMs) has demonstrated that agents can engage in complex, multi-turn negotiations, opening new avenues for agentic AI. However, existing LLM agents largely overlook the functional role of emotions in such negotiations, instead generating passive, preference-driven emotional responses that make them vulnerable to manipulation and strategic exploitation by adversarial counterparts. To address this gap, we present EvoEmo, an evolutionary reinforcement learning framework that optimizes dynamic emotional expression in negotiations. EvoEmo models emotional state transitions as a Markov Decision Process and employs population-based genetic optimization to evolve high-reward emotion policies across diverse negotiation scenarios. We further propose an evaluation framework with two baselines -- vanilla strategies and fixed-emotion strategies -- for benchmarking emotion-aware negotiation. Extensive experiments and ablation studies show that EvoEmo consistently outperforms both baselines, achieving higher success rates, higher efficiency, and increased buyer savings. This findings highlight the importance of adaptive emotional expression in enabling more effective LLM agents for multi-turn negotiation.

In-context Learning enables training-free adaptation via demonstrations but remains highly sensitive to example selection and formatting. In unified multimodal models spanning understanding and generation, this sensitivity is exacerbated by cross-modal interference and varying cognitive demands. Consequently, In-context Learning efficacy is often non-monotonic and highly task-dependent. To diagnose these behaviors, we introduce a six-level capability-oriented taxonomy that categorizes the functional role of demonstrations from basic perception to high-order discernment. Guided by this cognitive framework, we construct UniICL-760K, a large-scale corpus featuring curated 8-shot In-context Learning episodes across 15 subtasks, alongside UniICL-Bench for rigorous, controlled evaluation. As an architectural intervention to stabilize few-shot adaptation, we propose the Context-Adaptive Prototype Modulator, a lightweight, plug-and-play module. Evaluations on UniICL-Bench show that our approach yields highly competitive unified results, outperforming larger-parameter multimodal large language model baselines on most understanding In-context Learning tasks. Data and code will be available soon at https://github.com/xuyicheng-zju/UniICL.

Long non-coding RNA, microRNA, and messenger RNA enable key regulations of various biological processes through a variety of diverse interaction mechanisms. Identifying the interactions and cross-talk between these heterogeneous RNA classes is essential in order to uncover the functional role of individual RNA transcripts, especially for unannotated and newly-discovered RNA sequences with no known interactions. Recently, sequence-based deep learning and network embedding methods are becoming promising approaches that can either predict RNA-RNA interactions from a sequence or infer missing interactions from patterns that may exist in the network topology. However, the majority of these methods have several limitations, eg, the inability to perform inductive predictions, to distinguish the directionality of interactions, or to integrate various sequence, interaction, and annotation biological datasets. We proposed a novel deep learning-based framework, rna2rna, which learns from RNA sequences to produce a low-dimensional embedding that preserves the proximities in both the interactions topology and the functional affinity topology. In this proposed embedding space, we have designated a two-part" source and target contexts" to capture the targeting and receptive fields of each RNA transcript, while encapsulating the heterogenous cross-talk interactions between lncRNAs and miRNAs. From experimental results, our method exhibits superior performance in AUPR rates compared to state-of-art approaches at predicting missing interactions in different RNA-RNA interaction databases and was shown to accurately perform link predictions to novel RNA sequences not seen at training time, even without any prior information. Additional results suggest that our proposed framework can capture a manifold for heterogeneous RNA sequences to discover novel functional annotations.

Deep representations across modalities are inherently intertwined. In this paper, we systematically analyze the spectral characteristics of various semantic and pixel encoders. Interestingly, our study uncovers a highly inspiring and rarely explored correspondence between an encoder's feature spectrum and its functional role: semantic encoders primarily capture low-frequency components that encode abstract meaning, whereas pixel encoders additionally retain high-frequency information that conveys fine-grained detail. This heuristic finding offers a unifying perspective that ties encoder behavior to its underlying spectral structure. We define it as the Prism Hypothesis, where each data modality can be viewed as a projection of the natural world onto a shared feature spectrum, just like the prism. Building on this insight, we propose Unified Autoencoding (UAE), a model that harmonizes semantic structure and pixel details via an innovative frequency-band modulator, enabling their seamless coexistence. Extensive experiments on ImageNet and MS-COCO benchmarks validate that our UAE effectively unifies semantic abstraction and pixel-level fidelity into a single latent space with state-of-the-art performance.

We prove theoretically that generalization improves not only through data scaling but also by compressing internal representations. To operationalize this insight, we introduce the Information Bottleneck Language Modeling (IBLM) objective, which reframes language modeling as a constrained optimization problem: minimizing representation entropy subject to optimal prediction performance. Empirically, we observe an emergent memorization-compression cycle during LLM pretraining, evidenced by oscillation positive/negative gradient alignment between cross-entropy and Matrix-Based Entropy (MBE), a measure of representation entropy. This pattern closely mirrors the predictive-compressive trade-off prescribed by IBLM and also parallels the biological alternation between awake learning and sleep consolidation. Motivated by this observation, we propose Gated Phase Transition (GAPT), a training algorithm that adaptively switches between memorization and compression phases. When applied to GPT-2 pretraining on FineWeb dataset, GAPT reduces MBE by 50% and improves cross-entropy by 4.8%. GAPT improves OOD generalizatino by 35% in a pretraining task on arithmetic multiplication. In a setting designed to simulate catastrophic forgetting, GAPT reduces interference by compressing and separating representations, achieving a 97% improvement in separation - paralleling the functional role of sleep consolidation.

In this work, we present a network-specific approach for predicting brain responses to complex multimodal movies, leveraging the Yeo 7-network parcellation of the Schaefer atlas. Rather than treating the brain as a homogeneous system, we grouped the seven functional networks into four clusters and trained separate multi-subject, multi-layer perceptron (MLP) models for each. This architecture supports cluster-specific optimization and adaptive memory modeling, allowing each model to adjust temporal dynamics and modality weighting based on the functional role of its target network. Our results demonstrate that this clustered strategy significantly enhances prediction accuracy across the 1,000 cortical regions of the Schaefer atlas. The final model achieved an eighth-place ranking in the Algonauts Project 2025 Challenge, with out-of-distribution (OOD) correlation scores nearly double those of the baseline model used in the selection phase. Code is available at https://github.com/Corsi01/algo2025.

Generating 3D humans that functionally interact with 3D scenes remains an open problem with applications in embodied AI, robotics, and interactive content creation. The key challenge involves reasoning about both the semantics of functional elements in 3D scenes and the 3D human poses required to achieve functionality-aware interaction. Unfortunately, existing methods typically lack explicit reasoning over object functionality and the corresponding human-scene contact, resulting in implausible or functionally incorrect interactions. In this work, we propose FunHSI, a training-free, functionality-driven framework that enables functionally correct human-scene interactions from open-vocabulary task prompts. Given a task prompt, FunHSI performs functionality-aware contact reasoning to identify functional scene elements, reconstruct their 3D geometry, and model high-level interactions via a contact graph. We then leverage vision-language models to synthesize a human performing the task in the image and estimate proposed 3D body and hand poses. Finally, the proposed 3D body configuration is refined via stage-wise optimization to ensure physical plausibility and functional correctness. In contrast to existing methods, FunHSI not only synthesizes more plausible general 3D interactions, such as "sitting on a sofa'', while supporting fine-grained functional human-scene interactions, e.g., "increasing the room temperature''. Extensive experiments demonstrate that FunHSI consistently generates functionally correct and physically plausible human-scene interactions across diverse indoor and outdoor scenes.

Functional data play a pivotal role across science and engineering, yet their infinite-dimensional nature makes representation learning challenging. Conventional statistical models depend on pre-chosen basis expansions or kernels, limiting the flexibility of data-driven discovery, while many deep-learning pipelines treat functions as fixed-grid vectors, ignoring inherent continuity. In this paper, we introduce Functional Attention with a Mixture-of-Experts (FAME), an end-to-end, fully data-driven framework for function-on-function regression. FAME forms continuous attention by coupling a bidirectional neural controlled differential equation with MoE-driven vector fields to capture intra-functional continuity, and further fuses change to inter-functional dependencies via multi-head cross attention. Extensive experiments on synthetic and real-world functional-regression benchmarks show that FAME achieves state-of-the-art accuracy, strong robustness to arbitrarily sampled discrete observations of functions.

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

Functional grasping is essential for humans to perform specific tasks, such as grasping scissors by the finger holes to cut materials or by the blade to safely hand them over. Enabling dexterous robot hands with functional grasping capabilities is crucial for their deployment to accomplish diverse real-world tasks. Recent research in dexterous grasping, however, often focuses on power grasps while overlooking task- and object-specific functional grasping poses. In this paper, we introduce FunGrasp, a system that enables functional dexterous grasping across various robot hands and performs one-shot transfer to unseen objects. Given a single RGBD image of functional human grasping, our system estimates the hand pose and transfers it to different robotic hands via a human-to-robot (H2R) grasp retargeting module. Guided by the retargeted grasping poses, a policy is trained through reinforcement learning in simulation for dynamic grasping control. To achieve robust sim-to-real transfer, we employ several techniques including privileged learning, system identification, domain randomization, and gravity compensation. In our experiments, we demonstrate that our system enables diverse functional grasping of unseen objects using single RGBD images, and can be successfully deployed across various dexterous robot hands. The significance of the components is validated through comprehensive ablation studies. Project page: https://hly-123.github.io/FunGrasp/ .

Role-based learning holds the promise of achieving scalable multi-agent learning by decomposing complex tasks using roles. However, it is largely unclear how to efficiently discover such a set of roles. To solve this problem, we propose to first decompose joint action spaces into restricted role action spaces by clustering actions according to their effects on the environment and other agents. Learning a role selector based on action effects makes role discovery much easier because it forms a bi-level learning hierarchy -- the role selector searches in a smaller role space and at a lower temporal resolution, while role policies learn in significantly reduced primitive action-observation spaces. We further integrate information about action effects into the role policies to boost learning efficiency and policy generalization. By virtue of these advances, our method (1) outperforms the current state-of-the-art MARL algorithms on 10 of the 14 scenarios that comprise the challenging StarCraft II micromanagement benchmark and (2) achieves rapid transfer to new environments with three times the number of agents. Demonstrative videos are available at https://sites.google.com/view/rode-marl .

Language model users often embed personal and social context in their questions. The asker's role -- implicit in how the question is framed -- creates specific needs for an appropriate response. However, most evaluations, while capturing the model's capability to respond, often ignore who is asking. This gap is especially critical in stigmatized domains such as opioid use disorder (OUD), where accounting for users' contexts is essential to provide accessible, stigma-free responses. We propose CoRUS (COmmunity-driven Roles for User-centric Question Simulation), a framework for simulating role-based questions. Drawing on role theory and posts from an online OUD recovery community (r/OpiatesRecovery), we first build a taxonomy of asker roles -- patients, caregivers, practitioners. Next, we use it to simulate 15,321 questions that embed each role's goals, behaviors, and experiences. Our evaluations show that these questions are both highly believable and comparable to real-world data. When used to evaluate five LLMs, for the same question but differing roles, we find systematic differences: vulnerable roles, such as patients and caregivers, elicit more supportive responses (+17%) and reduced knowledge content (-19%) in comparison to practitioners. Our work demonstrates how implicitly signaling a user's role shapes model responses, and provides a methodology for role-informed evaluation of conversational AI.

Text role classification involves classifying the semantic role of textual elements within scientific charts. For this task, we propose to finetune two pretrained multimodal document layout analysis models, LayoutLMv3 and UDOP, on chart datasets. The transformers utilize the three modalities of text, image, and layout as input. We further investigate whether data augmentation and balancing methods help the performance of the models. The models are evaluated on various chart datasets, and results show that LayoutLMv3 outperforms UDOP in all experiments. LayoutLMv3 achieves the highest F1-macro score of 82.87 on the ICPR22 test dataset, beating the best-performing model from the ICPR22 CHART-Infographics challenge. Moreover, the robustness of the models is tested on a synthetic noisy dataset ICPR22-N. Finally, the generalizability of the models is evaluated on three chart datasets, CHIME-R, DeGruyter, and EconBiz, for which we added labels for the text roles. Findings indicate that even in cases where there is limited training data, transformers can be used with the help of data augmentation and balancing methods. The source code and datasets are available on GitHub under https://github.com/hjkimk/text-role-classification

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be seen as an extension of classical diffusion models to an infinite-dimensional domain. Functional diffusion is very versatile as images, videos, audio, 3D shapes, deformations, \etc, can be handled by the same framework with minimal changes. In addition, functional diffusion is especially suited for irregular data or data defined in non-standard domains. In our work, we derive the necessary foundations for functional diffusion and propose a first implementation based on the transformer architecture. We show generative results on complicated signed distance functions and deformation functions defined on 3D surfaces.

We introduce the task of predicting functional 3D scene graphs for real-world indoor environments from posed RGB-D images. Unlike traditional 3D scene graphs that focus on spatial relationships of objects, functional 3D scene graphs capture objects, interactive elements, and their functional relationships. Due to the lack of training data, we leverage foundation models, including visual language models (VLMs) and large language models (LLMs), to encode functional knowledge. We evaluate our approach on an extended SceneFun3D dataset and a newly collected dataset, FunGraph3D, both annotated with functional 3D scene graphs. Our method significantly outperforms adapted baselines, including Open3DSG and ConceptGraph, demonstrating its effectiveness in modeling complex scene functionalities. We also demonstrate downstream applications such as 3D question answering and robotic manipulation using functional 3D scene graphs. See our project page at https://openfungraph.github.io

In this paper, we introduce a new distributional method for modeling predicate-argument thematic fit judgments. We use a syntax-based DSM to build a prototypical representation of verb-specific roles: for every verb, we extract the most salient second order contexts for each of its roles (i.e. the most salient dimensions of typical role fillers), and then we compute thematic fit as a weighted overlap between the top features of candidate fillers and role prototypes. Our experiments show that our method consistently outperforms a baseline re-implementing a state-of-the-art system, and achieves better or comparable results to those reported in the literature for the other unsupervised systems. Moreover, it provides an explicit representation of the features characterizing verb-specific semantic roles.

Asking questions about a situation is an inherent step towards understanding it. To this end, we introduce the task of role question generation, which, given a predicate mention and a passage, requires producing a set of questions asking about all possible semantic roles of the predicate. We develop a two-stage model for this task, which first produces a context-independent question prototype for each role and then revises it to be contextually appropriate for the passage. Unlike most existing approaches to question generation, our approach does not require conditioning on existing answers in the text. Instead, we condition on the type of information to inquire about, regardless of whether the answer appears explicitly in the text, could be inferred from it, or should be sought elsewhere. Our evaluation demonstrates that we generate diverse and well-formed questions for a large, broad-coverage ontology of predicates and roles.

Understanding functionalities in 3D scenes involves interpreting natural language descriptions to locate functional interactive objects, such as handles and buttons, in a 3D environment. Functionality understanding is highly challenging, as it requires both world knowledge to interpret language and spatial perception to identify fine-grained objects. For example, given a task like 'turn on the ceiling light', an embodied AI agent must infer that it needs to locate the light switch, even though the switch is not explicitly mentioned in the task description. To date, no dedicated methods have been developed for this problem. In this paper, we introduce Fun3DU, the first approach designed for functionality understanding in 3D scenes. Fun3DU uses a language model to parse the task description through Chain-of-Thought reasoning in order to identify the object of interest. The identified object is segmented across multiple views of the captured scene by using a vision and language model. The segmentation results from each view are lifted in 3D and aggregated into the point cloud using geometric information. Fun3DU is training-free, relying entirely on pre-trained models. We evaluate Fun3DU on SceneFun3D, the most recent and only dataset to benchmark this task, which comprises over 3000 task descriptions on 230 scenes. Our method significantly outperforms state-of-the-art open-vocabulary 3D segmentation approaches. Project page: https://jcorsetti.github.io/fun3du

The rise of AI agents is transforming how software can be built. The promise of agents is that developers might write code quicker, delegate multiple tasks to different agents, and even write a full piece of software purely out of natural language. In reality, what roles agents play in professional software development remains in question. This paper investigates how experienced developers use agents in building software, including their motivations, strategies, task suitability, and sentiments. Through field observations (N=13) and qualitative surveys (N=99), we find that while experienced developers value agents as a productivity boost, they retain their agency in software design and implementation out of insistence on fundamental software quality attributes, employing strategies for controlling agent behavior leveraging their expertise. In addition, experienced developers feel overall positive about incorporating agents into software development given their confidence in complementing the agents' limitations. Our results shed light on the value of software development best practices in effective use of agents, suggest the kinds of tasks for which agents may be suitable, and point towards future opportunities for better agentic interfaces and agentic use guidelines.

MoltBook is a large-scale multi-agent coordination environment where over 770,000 autonomous LLM agents interact without human participation, offering the first opportunity we are aware of to observe emergent multi-agent coordination dynamics at this population scale. We introduce Molt Dynamics: the emergent agent coordination behaviors, inter-agent communication dynamics, and role specialization patterns arising when autonomous agents operate as decentralized decision-makers in an unconstrained multi-agent environment. Through longitudinal observation of 90,704 active agents over three weeks, we characterize three aspects. First, spontaneous role specialization: network-based clustering reveals six structural roles (silhouette 0.91), though the result primarily reflects core-periphery organization -- 93.5\% of agents occupy a homogeneous peripheral cluster, with meaningful differentiation confined to the active minority. Second, decentralized information dissemination: cascade analysis of 10,323 inter-agent propagation events reveals power-law distributed cascade sizes (α= 2.57 pm 0.02) and saturating adoption dynamics where adoption probability shows diminishing returns with repeated exposures (Cox hazard ratio 0.53, concordance 0.78). Third, distributed cooperative task resolution: 164 multi-agent collaborative events show detectable coordination patterns, but success rates are low (6.7\%, p = 0.057) and cooperative outcomes are significantly worse than a matched single-agent baseline (Cohen's d = -0.88), indicating emergent cooperative behavior is nascent. These findings establish an empirical baseline for coordination dynamics in decentralized autonomous agent systems, with implications for multi-agent system design, agent communication protocol engineering, and AI safety.

The argument role in event extraction refers to the relation between an event and an argument participating in it. Despite the great progress in event extraction, existing studies still depend on roles pre-defined by domain experts. These studies expose obvious weakness when extending to emerging event types or new domains without available roles. Therefore, more attention and effort needs to be devoted to automatically customizing argument roles. In this paper, we define this essential but under-explored task: open-vocabulary argument role prediction. The goal of this task is to infer a set of argument roles for a given event type. We propose a novel unsupervised framework, RolePred for this task. Specifically, we formulate the role prediction problem as an in-filling task and construct prompts for a pre-trained language model to generate candidate roles. By extracting and analyzing the candidate arguments, the event-specific roles are further merged and selected. To standardize the research of this task, we collect a new event extraction dataset from WikiPpedia including 142 customized argument roles with rich semantics. On this dataset, RolePred outperforms the existing methods by a large margin. Source code and dataset are available on our GitHub repository: https://github.com/yzjiao/RolePred

Most text-driven 3D indoor scene synthesis methods generate rooms from object-centric prompts, asking what furniture should be placed rather than how the space is used. Yet in real interior design, a layout is judged by how well it supports its occupants, e.g., their activities and physical needs. We introduce Function2Scene, a framework for generating 3D indoor layouts from functional specifications, i.e., natural-language design briefs describing who will use a room and what they need to do there. Given such a specification, our system parses occupant personas and activities, derives a customized set of functional design constraints from a taxonomy of 17 criteria spanning spatial, ergonomic, activity, and environmental considerations, and uses these constraints to guide layout generation. Rather than relying on an LLM to directly produce a final scene, Function2Scene performs iterative evaluation and refinement through a tool-augmented check-and-repair loop, combining geometric measurements, LLM-based contextual reasoning, and VLM-based visual assessment. Experiments on 30 professionally written interior-design cases show that Function2Scene produces layouts that better satisfy functional requirements than recent LLM-based scene synthesis baselines, with our results preferred in 94.3% of pairwise comparisons. Our work reframes text-driven indoor scene synthesis from placing plausible objects to designing spaces that support human use.

Machine learning has emerged as a powerful tool for scientific discovery, enabling researchers to extract meaningful insights from complex datasets. For instance, it has facilitated the identification of disease-predictive genes from gene expression data, significantly advancing healthcare. However, the traditional process for analyzing such datasets demands substantial human effort and expertise for the data selection, processing, and analysis. To address this challenge, we introduce a novel framework, a Team of AI-made Scientists (TAIS), designed to streamline the scientific discovery pipeline. TAIS comprises simulated roles, including a project manager, data engineer, and domain expert, each represented by a Large Language Model (LLM). These roles collaborate to replicate the tasks typically performed by data scientists, with a specific focus on identifying disease-predictive genes. Furthermore, we have curated a benchmark dataset to assess TAIS's effectiveness in gene identification, demonstrating our system's potential to significantly enhance the efficiency and scope of scientific exploration. Our findings represent a solid step towards automating scientific discovery through large language models.

Learning mappings between infinite-dimensional function spaces, or operator learning, is essential for many machine learning applications. Although transformer-based operators are popular, they often rely on token-wise attention. These methods treat continuous fields as discrete tokens and usually ignore the global functional structure. We introduce Functional Attention, which reinterprets attention as a functional correspondence between adaptive bases. Inspired by geometric functional maps, our method replaces softmax affinities with structured linear operators. This yields a compact, generalizable, resolution-invariant representation that explicitly captures global dependencies. Experiments demonstrate that Functional Attention can match state-of-the-art performance in many operator learning tasks, including solving PDEs, 3D segmentation, and regression, while remaining robust to varying discretizations. Project page is available at https://github.com/xjffff/FUNCATTN.

Large language models (LLMs) are routinely prompted to take on social roles ranging from individuals to institutions, yet it remains unclear whether their internal representations encode the granularity of such roles, from micro-level individual experience to macro-level organizational, institutional, or national reasoning. We show that they do. We define a contrast-based Granularity Axis as the difference between mean macro- and micro-role hidden states. In Qwen3-8B, this axis aligns with the principal axis (PC1) of the role representation space at cosine 0.972 and accounts for 52.6% of its variance, indicating that granularity is the dominant geometric axis organizing prompted social roles. We construct 75 social roles across five granularity levels and collect 91,200 role-conditioned responses over shared questions and prompt variants, then extract role-level hidden states and project them onto the axis. Role projections increase monotonically across all five levels, remain stable across layers, prompt variants, endpoint definitions, held-out splits, and score-filtered subsets, and transfer to Llama-3.1-8B-Instruct. The axis is also causally relevant: activation steering along it shifts response granularity in the predicted direction, with Llama moving from 2.00 to 3.17 on a five-point macro scale under positive steering on prompts that admit local responses. The two models differ in controllability, suggesting that steering depends on each model's default operating regime. Overall, our findings suggest that social role granularity is not merely a stylistic surface feature, but a structured, ordered, and causally manipulable latent direction in role-conditioned language model behavior.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structure-aware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships. The dataset and evaluation code are available at https://github.com/xuanliugit/FGBench.

Functional group replacement is a pivotal approach in cheminformatics to enable the design of novel chemical compounds with tailored properties. Traditional methods for functional group removal and replacement often rely on rule-based heuristics, which can be limited in their ability to generate diverse and novel chemical structures. Recently, transformer-based models have shown promise in improving the accuracy and efficiency of molecular transformations, but existing approaches typically focus on single-step modeling, lacking the guarantee of structural similarity. In this work, we seek to advance the state of the art by developing a novel two-stage transformer model for functional group removal and replacement. Unlike one-shot approaches that generate entire molecules in a single pass, our method generates the functional group to be removed and appended sequentially, ensuring strict substructure-level modifications. Using a matched molecular pairs (MMPs) dataset derived from ChEMBL, we trained an encoder-decoder transformer model with SMIRKS-based representations to capture transformation rules effectively. Extensive evaluations demonstrate our method's ability to generate chemically valid transformations, explore diverse chemical spaces, and maintain scalability across varying search sizes.

Functional linear discriminant analysis (FLDA) is a powerful tool that extends LDA-mediated multiclass classification and dimension reduction to univariate time-series functions. However, in the age of large multivariate and incomplete data, statistical dependencies between features must be estimated in a computationally tractable way, while also dealing with missing data. There is a need for a computationally tractable approach that considers the statistical dependencies between features and can handle missing values. We here develop a multivariate version of FLDA (MUDRA) to tackle this issue and describe an efficient expectation/conditional-maximization (ECM) algorithm to infer its parameters. We assess its predictive power on the "Articulary Word Recognition" data set and show its improvement over the state-of-the-art, especially in the case of missing data. MUDRA allows interpretable classification of data sets with large proportions of missing data, which will be particularly useful for medical or psychological data sets.

Multilingual natural language processing is getting increased attention, with numerous models, benchmarks, and methods being released for many languages. English is often used in multilingual evaluation to prompt language models (LMs), mainly to overcome the lack of instruction tuning data in other languages. In this position paper, we lay out two roles of English in multilingual LM evaluations: as an interface and as a natural language. We argue that these roles have different goals: task performance versus language understanding. This discrepancy is highlighted with examples from datasets and evaluation setups. Numerous works explicitly use English as an interface to boost task performance. We recommend to move away from this imprecise method and instead focus on furthering language understanding.

The rapid advances of large language models (LLMs), such as ChatGPT, are revolutionizing data science and statistics. These state-of-the-art tools can streamline complex processes. As a result, it reshapes the role of data scientists. We argue that LLMs are transforming the responsibilities of data scientists, shifting their focus from hands-on coding, data-wrangling and conducting standard analyses to assessing and managing analyses performed by these automated AIs. This evolution of roles is reminiscent of the transition from a software engineer to a product manager. We illustrate this transition with concrete data science case studies using LLMs in this paper. These developments necessitate a meaningful evolution in data science education. Pedagogy must now place greater emphasis on cultivating diverse skillsets among students, such as LLM-informed creativity, critical thinking, AI-guided programming. LLMs can also play a significant role in the classroom as interactive teaching and learning tools, contributing to personalized education. This paper discusses the opportunities, resources and open challenges for each of these directions. As with any transformative technology, integrating LLMs into education calls for careful consideration. While LLMs can perform repetitive tasks efficiently, it's crucial to remember that their role is to supplement human intelligence and creativity, not to replace it. Therefore, the new era of data science education should balance the benefits of LLMs while fostering complementary human expertise and innovations. In conclusion, the rise of LLMs heralds a transformative period for data science and its education. This paper seeks to shed light on the emerging trends, potential opportunities, and challenges accompanying this paradigm shift, hoping to spark further discourse and investigation into this exciting, uncharted territory.

Large language model (LLM)-based agents that reason, plan, and act through tools, memory, and structured interaction are emerging as a promising paradigm for automating complex workflows. Recent systems such as OpenClaw and Claude Code exemplify a broader shift from passive response generation to action-oriented task execution. Yet as agents move toward open-ended, real-world deployment, relying on from-scratch reasoning and low-level tool calls for every task become increasingly inefficient, error-prone, and hard to maintain. This survey examines this challenge through the lens of agent skills, which we define as reusable procedural artifacts that coordinate tools, memory, and runtime context under task-specific constraints. Under this view, agents and skills play complementary roles: agents handle high-level reasoning and planning, while skills form the operational layer that enables reliable, reusable, and composable execution. Skills are therefore central to the scalability, robustness, and maintainability of modern agent systems. We organize the literature around four stages of the agent skill lifecycle -- representation, acquisition, retrieval, and evolution -- and review representative methods, ecosystem resources, and application settings across each stage. We conclude by discussing open challenges in quality control, interoperability, safe updating, and long-term capability management. All related resources, including research papers, open-source data, and projects, are collected for the community in blue{https://github.com/JayLZhou/Awesome-Agent-Skills}.

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

Conversational participants tend to immediately and unconsciously adapt to each other's language styles: a speaker will even adjust the number of articles and other function words in their next utterance in response to the number in their partner's immediately preceding utterance. This striking level of coordination is thought to have arisen as a way to achieve social goals, such as gaining approval or emphasizing difference in status. But has the adaptation mechanism become so deeply embedded in the language-generation process as to become a reflex? We argue that fictional dialogs offer a way to study this question, since authors create the conversations but don't receive the social benefits (rather, the imagined characters do). Indeed, we find significant coordination across many families of function words in our large movie-script corpus. We also report suggestive preliminary findings on the effects of gender and other features; e.g., surprisingly, for articles, on average, characters adapt more to females than to males.

Semantic role labeling (SRL) is a central natural language processing (NLP) task aiming to understand the semantic roles within texts, facilitating a wide range of downstream applications. While SRL has garnered extensive and enduring research, there is currently a lack of a comprehensive survey that thoroughly organizes and synthesizes the field. This paper aims to review the entire research trajectory of the SRL community over the past two decades. We begin by providing a complete definition of SRL. To offer a comprehensive taxonomy, we categorize SRL methodologies into four key perspectives: model architectures, syntax feature modeling, application scenarios, and multi-modal extensions. Further, we discuss SRL benchmarks, evaluation metrics, and paradigm modeling approaches, while also exploring practical applications across various domains. Finally, we analyze future research directions in SRL, addressing the evolving role of SRL in the age of large language models (LLMs) and its potential impact on the broader NLP landscape. We maintain a public repository and consistently update related resources at: https://github.com/DreamH1gh/Awesome-SRL

In this paper, we study semantic role labelling (SRL), a subtask of semantic parsing of natural language sentences and its application for the Vietnamese language. We present our effort in building Vietnamese PropBank, the first Vietnamese SRL corpus and a software system for labelling semantic roles of Vietnamese texts. In particular, we present a novel constituent extraction algorithm in the argument candidate identification step which is more suitable and more accurate than the common node-mapping method. In the machine learning part, our system integrates distributed word features produced by two recent unsupervised learning models in two learned statistical classifiers and makes use of integer linear programming inference procedure to improve the accuracy. The system is evaluated in a series of experiments and achieves a good result, an F_1 score of 74.77%. Our system, including corpus and software, is available as an open source project for free research and we believe that it is a good baseline for the development of future Vietnamese SRL systems.