ICLR 2026 论文列表

International Conference on Learning Representations

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5,358篇论文

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  • Oral
    2244.2%
  • Poster
    5,13495.8%

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主题: 多模态大模型 · 1,401 篇论文 · 重置筛选

Optimizing ID Consistency in Multimodal Large Models: Facial Restoration via Alignment, Entanglement, and Disentanglement

Yuran Dong, Hang Dai, Mang Ye

展开摘要

Multimodal editing large models have demonstrated powerful editing capabilities across diverse tasks. However, a persistent and long-standing limitation is the decline in facial identity (ID) consistency during realistic portrait editing. Due to the human eye’s high sensitivity to facial features, such inconsistency significantly hinders the practical deployment of these models. Current facial ID preservation methods struggle to achieve consistent restoration of both facial identity and edited element IP due to Cross-source Distribution Bias and Cross-source Feature Contamination. To address these issues, we propose EditedID, an Alignment-Disentanglement-Entanglement framework for robust identity-specific facial restoration. By systematically analyzing diffusion trajectories, sampler behaviors, and attention properties, we introduce three key components: 1) Adaptive mixing strategy that aligns cross-source latent representations throughout the diffusion process. 2) Hybrid solver that disentangles source-specific identity attributes and details. 3) Attentional gating mechanism that selectively entangles visual elements. Extensive experiments show that EditedID achieves state-of-the-art performance in preserving original facial ID and edited element IP consistency. As a training-free and plug-and-play solution, it establishes a new benchmark for practical and reliable single/multi-person facial identity restoration in open-world settings, paving the way for the deployment of multimodal editing large models in real-person editing scenarios. The code is available at https://github.com/NDYBSNDY/EditedID.

Poster
From ``Sure" to ``Sorry": Detecting Jailbreak in Large Vision Language Model via JailNeurons

Yuyou Gan, Qingming Li, Junhao Li, Zhi Chen, Jinbao Li, Xiaoming Li, Shouling Ji

展开摘要

Large Vision-Language Models (LVLMs) are vulnerable to jailbreak attacks that can generate harmful content. Existing detection methods are either limited to detecting specific attack types or are too time-consuming, making them impractical for real-world deployment. To address these challenges, we propose \textbf{JDJN} (\textbf{J}ailbreak \textbf{D}etection via \textbf{J}ail\textbf{N}eurons), a novel jailbreak detection method for LVLMs. Specifically, we focus on \textbf{JailNeurons}, which are key neurons related to jailbreak at each model layer. Unlike the ``SafeNeurons", which explain why aligned models can reject ordinary harmful queries, JailNeurons capture how jailbreak prompts circumvent safety mechanisms. They provide an important and previously underexplored complement to existing safety research. We design a neuron localization algorithm to detect these JailNeurons and then aggregate them across layers to train a generalizable detector. Experimental results demonstrate that our method effectively extracts jailbreak-related information from high-dimensional hidden states. As a result, our approach achieves the highest detection success rate with exceptionally low false positive rates. Furthermore, the detector exhibits strong generalizability, maintaining high detection success rates across unseen benign datasets and attack types. Finally, our method is computationally efficient, with low training costs and fast inference speeds, highlighting its potential for real-world deployment.

Poster
Object-Centric Refinement for Enhanced Zero-Shot Segmentation

Srinivasa Rao Nandam, Sara Atito, Zhenhua Feng, Josef Kittler, Muhammad Awais

展开摘要

Zero-shot semantic segmentation aims to recognize, pixel-wise, unseen categories without annotated masks, typically by leveraging vision-language models such as CLIP. However, the patch representations obtained by the CLIP's vision encoder lack object-centric structure, making it difficult to localize coherent semantic regions. This hinders the performance of the segmentation decoder, especially for unseen categories. To mitigate this issue, we propose object-centric zero-shot segmentation (OC-ZSS) that enhances patch representations using object-level information. To extract object features for patch refinement, we introduce self-supervision-guided object prompts into the encoder. These prompts attend to coarse object regions using attention masks derived from unsupervised clustering of features from a pretrained self-supervised~(SSL) model. Although these prompts offer a structured initialization of the object-level context, the extracted features remain coarse due to the unsupervised nature of clustering. To further refine the object features and effectively enrich patch representations, we develop a dual-stage Object Refinement Attention (ORA) module that iteratively updates both object and patch features through cross-attention. Last, to make the refinement more robust and sensitive to objects of varying spatial scales, we incorporate a lightweight granular attention mechanism that operates over multiple receptive fields. OC-ZSS achieves state-of-the-art performance on standard zero-shot segmentation benchmarks across inductive, transductive, and cross-domain settings.

Poster
NExT-OMNI: Towards Any-to-Any Omnimodal Foundation Models with Discrete Flow Matching

Run Luo, Xiaobo Xia, Lu Wang, Longze Chen, Renke Shan, Jing Luo, Min Yang, Tat-Seng Chua

展开摘要

Next-generation multimodal foundation models capable of any-to-any cross-modal generation and multi-turn interaction will serve as core components of artificial general intelligence systems, playing a pivotal role in human-machine interaction. However, most existing multimodal models remain constrained by autoregressive architectures, whose inherent limitations prevent a balanced integration of understanding and generation capabilities. Although hybrid and decoupling strategies have been explored to address these tasks within unified frameworks separately, their redundant, non-integrated designs limit their applicability to broader scenarios, such as cross-modal retrieval. In this work, we introduce NExT-OMNI, an open-source omnimodal foundation model that achieves unified modeling through discrete flow paradigms. By leveraging metric-induced probability paths and kinetic optimal velocities, NExT-OMNI natively supports any-to-any understanding and generation with enhanced response efficiency, while enabling broader application scenarios through concise unified representations rather than task-decoupled designs. Trained on large-scale interleaved text, image, video, and audio data, NExT-OMNI delivers competitive performance on multimodal understanding and generation benchmarks, while outperforming prior unified models in multi-turn multimodal interaction and cross-modal retrieval, highlighting its architectural advantages as a next-generation multimodal foundation model. To advance further research, we will release training details, data protocols, and open-source both the code and model checkpoints.

Poster
MoL: Adaptive Mixture-of-Length Reasoning for Efficient Question Answering with Context

Guocong Li, Jinjian Zhang, Ping Wang, Dongnan Liu, Tian Liang, Qiuyi Qi, Hao Huang, Siyan Guo, Mutian Bao, Wei Zhou, Linjian Mo, Hongxia Xu, Jian Wu

展开摘要

We present Mixture-of-Length (MoL), an approach for Question Answering (QA) with context that aims to improve the balance between reasoning quality and response efficiency. Our method introduces a principled difficulty assessment based on information-theoretic principles and a dual-objective reward mechanism that adaptively modulates response length. In our experiments, MoL exhibits an emergent behavior termed "intelligent brevity": the model tends to produce shorter responses for simpler queries and longer ones for more complex inputs. This property is desirable for human-computer interaction and can reduce inference costs. A post-hoc analysis of internal activations suggests a correlation between this output adaptivity and the effective number of layers that contribute during inference. On multiple QA benchmarks, MoL demonstrates competitive accuracy while substantially reducing tokens compared to baselines, indicating that difficulty-aware length modulation is a promising direction for efficient QA with context.

Poster
MME-Emotion: A Holistic Evaluation Benchmark for Emotional Intelligence in Multimodal Large Language Models

Fan Zhang, Zebang Cheng, Chong Deng, Haoxuan Li, Zheng Lian, Qian Chen, Huadai Liu, Wen Wang, Yifan Zhang, Renrui Zhang, Ziyu Guo, Zhihong Zhu, Hao Wu, Haixin Wang, Yefeng Zheng, Xiaojiang Peng, Xian Wu, Kun Wang, Xiangang Li, Jieping Ye, Pheng-Ann Heng

展开摘要

Recent advances in multimodal large language models (MLLMs) have catalyzed transformative progress in affective computing, enabling models to exhibit emergent emotional intelligence. Despite substantial methodological progress, current emotional benchmarks remain limited, as it is still unknown: (a) the generalization abilities of MLLMs across distinct scenarios, and (b) their reasoning capabilities to identify the triggering factors behind emotional states. To bridge these gaps, we present MME-Emotion, a systematic benchmark that assesses both emotional understanding and reasoning capabilities of MLLMs, enjoying scalable capacity, diverse settings, and unified protocols. As the largest emotional intelligence benchmark for MLLMs, MME-Emotion contains over 6,000 curated video clips with task-specific questioning-answering (QA) pairs, spanning broad scenarios to formulate eight emotional tasks. It further incorporates a holistic evaluation suite with hybrid metrics for emotion recognition and reasoning, analyzed through a multi-agent system framework. Through a rigorous evaluation of 20 advanced MLLMs, we uncover both their strengths and limitations, yielding several key insights: (1) Current MLLMs exhibit unsatisfactory emotional intelligence, with the best-performing model achieving only $39.3\%$ recognition score and $56.0\%$ Chain-of-Thought (CoT) score on our benchmark. (2) Generalist models (\emph{e.g.}, Gemini-2.5-Pro) derive emotional intelligence from generalized multimodal understanding capabilities, while specialist models (\emph{e.g.}, R1-Omni) can achieve comparable performance through domain-specific post-training adaptation. By introducing MME-Emotion, we hope that it can serve as a foundation for advancing MLLMs' emotional intelligence in the future.

Poster
Robust Reward Modeling via Causal Rubrics

Pragya Srivastava, Harman Singh, Rahul Madhavan, Gandharv Patil, Sravanti Addepalli, Arun Suggala, Rengarajan Aravamudhan, Soumya Sharma, Anirban Laha, Aravindan Raghuveer, Karthikeyan Shanmugam, Doina Precup

展开摘要

Reward models (RMs) are fundamental to aligning Large Language Models (LLMs) via human feedback, yet they often suffer from reward hacking. They tend to latch on to superficial or spurious attributes, such as response length or formatting, mistaking these cues learned from correlations in training data for the true causal drivers of quality (e.g., factuality, relevance). This occurs because standard training objectives struggle to disentangle these factors, leading to brittle RMs and misaligned policies. We introduce CROME (Causally Robust Reward Modeling), a novel framework inspired by an explicit causal model designed to mitigate reward hacking. CROME queries an oracle LLM for rubrics that are (or the oracle deems to be) causally relevant to answering a specific prompt. Then, it employs the following synthetic targeted augmentations during training: (1) Causal Augmentations, which are pairs that differ along specific causal attributes (subset of the Oracle identified rubrics), to enforce sensitivity along each causal attribute individually, and (2) Neutral Augmentations, which are tie-label pairs varying primarily in spurious attributes, to enforce invariance along spurious attributes. Notably, our neutral augmentations are produced without any knowledge of unknown spurious factors, via question swapping and response interventions only along causal rubrics. We show that the CROME augmentation strategy using rubrics from popular LLM APIs significantly outperforms standard baselines on RewardBench, improving average accuracy by up to 5.3% and achieving gains of up to 7.1% and 12.4% in reasoning and safety. The robustness of CROME is further testified by significant gains in DPO-aligned policies and Best-of-N alignment across various benchmarks, including AlpacaEval 2.0, RewardBench, safety-focused WildGuardTest, and the reasoning-specific GSM8k.

Poster
Glance for Context: Learning When to Leverage LLMs for Node-Aware GNN-LLM Fusion

Donald Loveland, Yao-An Yang, Danai Koutra

展开摘要

Learning on text-attributed graphs has motivated the use of Large Language Models (LLMs) for graph learning. However, most fusion strategies are applied uniformly across all nodes and attain only small overall performance gains. We argue this result stems from aggregate metrics that obscure when LLMs provide benefit, inhibiting actionable signals for new strategies. In this work, we reframe LLM–GNN fusion around nodes where GNNs typically falter. We first show that performance can significantly differ between GNNs and LLMs, with each excelling on distinct structural patterns, such as local homophily. To leverage this finding, we propose **GLANCE** (**G**NN with **L**LM **A**ssistance for **N**eighbor- and **C**ontext-aware **E**mbeddings), a framework that invokes an LLM to refine a GNN's prediction. GLANCE employs a lightweight router that, given inexpensive per-node signals, decides whether to query the LLM. Since the LLM calls are non-differentiable, the router is trained with an advantage-based objective that compares the utility of querying the LLM against relying solely on the GNN. Across multiple benchmarks, GLANCE achieves the best performance balance across node subgroups, achieving significant gains on heterophilous nodes (up to +5.8%) while simultaneously achieving top overall performance (up to +1.1%). Our findings advocate for adaptive, node-aware, GNN-LLM architectures, showing that selectively invoking the LLM where it adds value enables scalable application of LLMs to large graphs.

Poster
SPECS: Decoupling Multimodal Learning via Self-distilled Preference-based Cold Start

Kun Chen, Peng Shi, Haibo Qiu, Zhixiong Zeng, Siqi Yang, Wenji Mao, Lin Ma

展开摘要

Reinforcement learning (RL) with verifiable rewards has recently catalyzed a wave of “MLLM-r1” approaches that bring RL to vision language models. Most representative paradigms begin with a cold start, typically employing supervised fine-tuning (SFT), to initialize the policy before RL. However, SFT-based cold start adopts the reasoning paradigm intertwined with task solution and output format, which may induce instruction-style overfitting, weakens out-of-distribution generalization, and ultimately affects downstream RL. We revisit the cold start along two views, its training method and data construction, and introduce the Generalization Factor (GF) coefficient to quantify the generalization capability under different methods. Our empirical study finds that preference–based training methods (e.g. DPO) generalizes better than SFT-based methods in cold start. Motivated by this, we propose $\textbf{SPECS}$—a $\textbf{S}$elf-distilled, $\textbf{P}$r$\textbf{e}$ference-based $\textbf{C}$old $\textbf{S}$tart framework that decouples multimodal learning: (1) generates introspective preference data pairs via self-distillation, avoiding reliance on larger teachers or manual annotation; (2) performs preference–based training to learn, focusing on shallow, transferable surface-form criteria (format, structure, style) rather than memorizing content; and (3) hands off to RL with verifiable rewards for deep reasoning results. Experimental results across multiple multimodal benchmarks show that our decoupling learning framework yields consistent performance gains over strong baselines, improving MEGA-Bench by 4.1\% and MathVista by 12.2\%. Additional experiments indicate that SPECS contributes to reducing in-distribution “stuckness,” improving exploration, stabilizing training, and raising the performance ceiling.

Poster
RPM: Reasoning-Level Personalization for Black-Box Large Language Models

Jieyong Kim, Tongyoung Kim, SooJin Yoon, Jaehyung Kim, Dongha Lee

展开摘要

While black-box large language models are widely deployed, they produce generic outputs that overlook individual user preferences. Current personalization methods are fundamentally limited to response-level personalization; they only match final outputs, failing to model the underlying reasoning that connects user behavior to responses. To address this, this work introduces reasoning-level personalization as a new paradigm and proposes RPM, the first systematic framework designed to guide the model’s reasoning process using structured rationales constructed from patterns in a user’s behavior. RPM constructs a structured model of user behavior—built from response-influential features and statistical factors—to create personalized reasoning paths and retrieve beneficial examples for guiding inference through a feature-based retrieval mechanism. Extensive experiments across four diverse tasks demonstrate that RPM consistently outperforms existing response-level methods while simultaneously enhancing both personalization performance and interpretability, providing a promising direction for black-box LLM personalization.

Poster
Progressive Online Video Understanding with Evidence-Aligned Timing and Transparent Decisions

Kecheng Zhang, Zongxin Yang, Mingfei Han, Haihong Hao, Yunzhi Zhuge, Changlin Li, junhan zhao, Zhihui Li, Xiaojun Chang

展开摘要

Visual agents operating in the wild must respond to queries precisely when sufficient evidence first appears in a video stream, a critical capability that is overlooked by conventional video LLMs evaluated in offline settings. The shift to an online, streaming paradigm introduces significant challenges: a lack of decision transparency, the difficulty of aligning response timing with visual evidence, and the need to maintain a global, causally consistent understanding under tight computational budgets. To address these issues, we propose a novel framework that decouples reasoning control from memory integration. We introduce Thinking-QwenVL, an instantiation of this framework with two core components. First, the Active Thinking Decision Maker (ATDM) is a transparent reasoning controller that externalizes its decision process using observable progress ($\boldsymbol{\rho}$) and confidence ($\boldsymbol{c}$) metrics. This allows it to precisely time its response $t_r$ to match the first-sufficient-evidence timestamp $t^\star$ while streaming its reasoning to the user. Second, the Hierarchical Progressive Semantic Integration (HPSI) module acts as an efficient memory system. It employs a set of learnable, multi-level aggregation tokens that are propagated across clips to build a rich, global cognitive state without exceeding token budgets. Extensive experiments demonstrate the effectiveness of ATDM and HPSI, e.g., Thinking-QwenVL improves the accuracy of the previous state-of-the-art from 67.63\% to 71.60\% on the StreamingBench benchmark.

Poster
OmniActor: A Generalist GUI and Embodied Agent for 2D&3D Worlds

Longrong Yang, Zhixiong Zeng, Yufeng Zhong, Huang Jing, Liming Zheng, Lei Chen, Haibo Qiu, Zequn Qin, Lin Ma, Xi Li

展开摘要

Multimodal large language models are progressively advancing toward multimodal agents that can proactively execute tasks. Existing research on multimodal agents primarily targets either GUI or embodied scenarios, corresponding to interactions within 2D virtual world and 3D physical world, respectively. However, many real-world tasks inherently require agents to interleave interactions across both types of environments. We initially mix GUI and embodied data to train models, but find performance degradation caused by data conflicts. Further analysis reveals that GUI and embodied data exhibit synergy at shallow layers but conflict at deep layers, resembling the cerebrum-cerebellum mechanism in the human brain. To this end, we introduce a high-performance generalist agent, OmniActor, designed from both structural and data perspectives. First, we propose Layer-heterogeneous MoE that separates parameters at deep layers to eliminate conflict, while sharing parameters at shallow layers to leverage synergy. This design enables OmniActor to outperform agents trained solely on GUI or embodied data in their respective tasks. Furthermore, we unify the action spaces of GUI and embodied tasks and collect large-scale datasets from diverse sources for training. This substantially enhances the performance of OmniActor across various scenarios, especially in GUI tasks.

Poster
Compose and Fuse: Revisiting the Foundational Bottlenecks in Multimodal Reasoning

Yucheng Wang, Yifan Hou, Aydin Javadov, Mubashara Akhtar, Mrinmaya Sachan

展开摘要

Multimodal large language models (MLLMs) promise enhanced reasoning by integrating diverse inputs such as text, vision, and audio. Yet, despite their perceptual strengths, their reasoning ability across modalities remains underexplored, with conflicting reports on whether additional modalities help or harm performance. These inconsistencies stem from a lack of controlled evaluation frameworks and analysis of models' internals to isolate when and why modality interactions support or undermine reasoning. We address this gap through a logic-grounded evaluation framework that categorizes multimodal reasoning into six interaction patterns, varying how facts are distributed across modalities and logically combined. Empirically, additional modalities enhance reasoning only when they provide independent and sufficient reasoning paths, while redundant or chained entailment support often hurts performance. Besides, models recognize cross-modal facts reliably and always reason on text effectively. Moreover, reasoning degrades in three systematic ways: weaker modalities drag down overall performance, conflicts bias preference toward certain modalities, and joint signals from different modalities fail to be integrated effectively. Therefore, we identify two core failures: task-composition bottleneck, where recognition and reasoning cannot be jointly executed in one pass, and fusion bottleneck, where early integration introduces bias. For further investigation, we find that attention patterns fail to encode fact usefulness, but a simple two-step prompting (recognize then reason) restores performance, confirming the task-composition bottleneck. Moreover, modality identity remains recoverable in early layers, and softening attention in early fusion improves reasoning, highlighting biased fusion as another failure mode. Overall, our findings show that integration, not perception, is the main barrier to multimodal reasoning, suggesting composition-aware training and early fusion control as promising directions.

Poster
Mixture-of-Experts Can Surpass Dense LLMs Under Strictly Equal Resource

Houyi Li, Ka Man Lo, Shijie Xuyang, Ziqi Wang, Wenzhen Zheng, Haocheng Zhang, Zhao Li, Shuigeng Zhou, Xiangyu Zhang, Daxin Jiang

展开摘要

Mixture-of-Experts (MoE) language models dramatically expand model capacity and achieve remarkable performance without increasing per-token compute. However, can MoEs surpass dense architectures under strictly equal resource constraints — that is, when the total parameter count, training compute, and data budget are identical? This question remains under-explored despite its significant practical value and potential. In this paper, we propose a novel perspective and methodological framework to study this question thoroughly. First, we comprehensively investigate the architecture of MoEs and achieve an optimal model design that maximizes the performance. Based on this, we subsequently find that an MoE model with activation rate in an optimal region is able to outperform its dense counterpart under the same total parameter, training compute and data resource. More importantly, this optimal region remains consistent across different model sizes. Although additional amount of data turns out to be a trade-off for enhanced performance, we show that this can be resolved via reusing data. We validate our findings through extensive experiments, training nearly 200 language models at 2B scale and over 50 at 7B scale, cumulatively processing 50 trillion tokens. All code and models will be released publicly.

Oral
Zero-shot HOI Detection with MLLM-based Detector-agnostic Interaction Recognition

Shiyu Xuan, Dongkai Wang, Zechao Li, Jinhui Tang

展开摘要

Zero-shot Human-object interaction (HOI) detection aims to locate humans and objects in images and recognize their interactions. While advances in open-vocabulary object detection provide promising solutions for object localization, interaction recognition (IR) remains challenging due to the combinatorial diversity of interactions. Existing methods, including two-stage methods, tightly couple IR with a specific detector and rely on coarse-grained vision-language model (VLM) features, which limit generalization to unseen interactions. In this work, we propose a decoupled framework that separates object detection from IR and leverages multi-modal large language models (MLLMs) for zero-shot IR. We introduce a deterministic generation method that formulates IR as a visual question answering task and enforces deterministic outputs, enabling training-free zero-shot IR. To further enhance performance and efficiency by fine-tuning the model, we design a spatial-aware pooling module that integrates appearance and pairwise spatial cues, and a one-pass deterministic matching method that predicts all candidate interactions in a single forward pass. Extensive experiments on HICO-DET and V-COCO demonstrate that our method achieves superior zero-shot performance, strong cross-dataset generalization, and the flexibility to integrate with any object detectors without retraining. Code will be released.

Poster
Automatic Image-Level Morphological Trait Annotation for Organismal Images

Vardaan Pahuja, Samuel Stevens, Alyson East, Sydne Record, Yu Su

展开摘要

Morphological traits are physical characteristics of biological organisms that provide vital clues on how organisms interact with their environment. Yet extracting these traits remains a slow, expert-driven process, limiting their use in large-scale ecological studies. A major bottleneck is the absence of high-quality datasets linking biological images to trait-level annotations. In this work, we demonstrate that sparse autoencoders trained on foundation-model features yield monosemantic, spatially grounded neurons that consistently activate on meaningful morphological parts. Leveraging this property, we introduce a trait annotation pipeline that localizes salient regions and uses vision-language prompting to generate interpretable trait descriptions. Using this approach, we construct Bioscan-Traits, a dataset of 80K trait annotations spanning 19K insect images from BIOSCAN-5M. Human evaluation confirms the biological plausibility of the generated morphological descriptions. When used to fine-tune BioCLIP, a biologically grounded vision-language model, Bioscan-Traits improves zero-shot species classification on the in-the-wild Insects benchmark, underscoring the value of trait-level supervision for enhancing model generalization.

Poster
What Scales in Cross-Entropy Scaling Law?

Junxi Yan, Zixi Wei, Qingyao Ai, Yiqun Liu, Jingtao Zhan

展开摘要

The cross-entropy scaling law has long served as a key tool for guiding the development of large language models. It shows that cross-entropy loss decreases in a predictable power-law rate as the model size increases. However, recent evidence indicates that this law breaks down at very large scales: the loss decreases more slowly than expected, which causes significant trouble for developing large language models. In this paper, we hypothesize that the root cause lies in the fact that cross-entropy itself does not truly scale; instead, only one of its hidden components does. To investigate this, we introduce a novel decomposition of cross-entropy into three parts: Error-Entropy, Self-Alignment, and Confidence. We show both theoretically and empirically that this decomposition precisely captures the training dynamics and optimization objectives. Through extensive experiments on multiple datasets and 32 models spanning five orders of magnitude in size, we find that only error-entropy follows a robust power-law scaling, while the other two terms remain largely invariant. Moreover, error-entropy constitutes the dominant share of cross-entropy in small models but diminishes in proportion as models grow larger. This explains why the cross-entropy scaling law appears accurate at small scales but fails at very large ones. Our findings establish the error-entropy scaling law as a more accurate description of model behavior. We believe it will have wide applications in the training, understanding, and future development of large language models.

Poster
Inductive Reasoning for Temporal Knowledge Graphs with Emerging Entities

Ze Zhao, He Yuhui, Lyuwen Wu, Gu Tang, Bin Lu, Xiaoying Gan, Luoyi Fu, Xinbing Wang, Chenghu Zhou

展开摘要

Reasoning on Temporal Knowledge Graphs (TKGs) is essential for predicting future events and time-aware facts. While existing methods are effective at capturing relational dynamics, their performance is limited by a closed-world assumption, which fails to account for emerging entities not present in the training. Notably, these entities continuously join the network without historical interactions. Empirical study reveals that emerging entities are widespread in TKGs, comprising roughly 25\% of all entities. The absence of historical interactions of these entities leads to significant performance degradation in reasoning tasks. Whereas, we observe that entities with semantic similarities often exhibit comparable interaction histories, suggesting the presence of transferable temporal patterns. Inspired by this insight, we propose TransFIR (Transferable Inductive Reasoning), a novel framework that leverages historical interaction sequences from semantically similar known entities to support inductive reasoning. Specifically, we propose a codebook-based classifier that categorizes emerging entities into latent semantic clusters, allowing them to adopt reasoning patterns from similar entities. Experimental results demonstrate that TransFIR outperforms all baselines in reasoning on emerging entities, achieving an average improvement of 28.6\% in Mean Reciprocal Rank (MRR) across multiple datasets. The implementations are available at https://anonymous.4open.science/r/TransFIR-C72F.

Poster
Towards All-Atom Foundation Models for Biomolecular Binding Affinity Prediction

Liang Shi, Zuobai Zhang, Huiyu Cai, Santiago Miret, Zhi Yang, Jian Tang

展开摘要

Biomolecular interactions play a critical role in biological processes. While recent breakthroughs like AlphaFold 3 have enabled accurate modeling of biomolecular complex structures, predicting binding affinity remains challenging mainly due to limited high-quality data. Recent methods are often specialized for specific types of biomolecular interactions, limiting their generalizability. In this work, we repurpose AlphaFold 3 for representation learning to predict binding affinity, a non-trivial task that requires shifting from generative structure prediction to encoding observed geometry, simplifying the heavily conditioned trunk module, and designing a framework to jointly capture sequence and structural information. To address these challenges, we introduce the **Atom-level Diffusion Transformer (ADiT)**, which takes sequence and structure as inputs, employs a unified tokenization scheme, integrates diffusion transformers, and removes dependencies on multiple sequence alignments and templates. We pre-train three ADiT variants on the PDB dataset with a denoising objective and evaluate them across protein-ligand, drug-target, protein-protein, and antibody-antigen interactions. The model achieves state-of-the-art or competitive performance across benchmarks, scales effectively with model size, and successfully identifies wet-lab validated affinity-enhancing antibody mutations, establishing a generalizable framework for biomolecular interactions. We plan to release the code upon acceptance.

Poster
Thicker and Quicker: The Jumbo Token for Fast Plain Vision Transformers

Anthony Fuller, Yousef Yassin, Daniel Kyrollos, Evan Shelhamer, James R Green

展开摘要

ViTs are general and accurate, and address many tasks, but ViTs are slow, and are not always practical when efficiency is key. Existing methods for faster ViTs design hybrid non-ViT architectures, losing generality, or shrink their tokens, sacrificing accuracy. While many non-ViT architectures are both fast and accurate, they cannot flexibly process other input shapes, pre-train by SOTA self-supervised learning, reduce computation by dropping tokens, and more like ViTs can. We make ViTs faster by reducing patch token width while increasing global token width by adding a new Jumbo token. Our wider Jumbo token is processed by its own wider FFN to increase model capacity. Yet our Jumbo FFN is efficient: it processes a single token, for speed, and its parameters are shared across all layers, for memory. Crucially, our Jumbo is attention-only and non-hierarchical, like a plain ViT, so it is simple, scalable, flexible, and compatible with ViT methods new and old. Jumbo improves over ViT baselines with Registers from Nano to Large scales while maintaining speed/throughput on ImageNet-1K (↑0.1−13%). Jumbo also improves MAE pre-training (↑4.9% linear probing on ImageNet-1K), test-time adaptation (↑5.2% on ImageNet-C), and time series modeling. Our Jumbo models even achieve better speed-accuracy trade-offs than specialized non-ViT compute-efficient models, while maintaining plain-ViT compatibility for practicality.

Poster