ICLR 2026 Papers

Large language models (LLMs) have demonstrated remarkable success across diverse domains through in-context learning or fine-tuning. However, adapting LLMs to Knowledge Base Question Answering (KBQA) remains challenging, as KBQA necessitates multi-step reasoning over large-scale structured knowledge bases. Directly prompting LLMs with entire knowledge bases incurs prohibitive computational costs, while existing methods provide limited guidance on effectively fine-tuning LLMs for such complex reasoning tasks. In this work, we propose Chain-of-Decomposition (\texttt{CoD}), a novel framework that decomposes KBQA into three modular steps: (1) an LLM-free retrieval module to extract query-relevant subgraphs from the knowledge base, (2) a parameter-free reformulation step that transforms retrieved contexts into structured reasoning paths, and (3) a lightweight LLM-based reasoning module trained to evaluate the logical validity of each path. By isolating computation-heavy retrieval and rule-based reformulation from LLM reasoning, \texttt{CoD} reduces task complexity and enables efficient fine-tuning focused solely on the final verification step. Comprehensive experiments demonstrate that Llama-2 7B, fine-tuned with the proposed \texttt{CoD} surpasses strong baselines, including GPT-4 augmented with retrieved knowledge, achieving state-of-the-art performance on WebQSP and MetaQA benchmarks.

Large Language Models (LLMs) often generate incorrect or unsupported content, known as hallucinations. Existing detection methods rely on heuristics or simple models over isolated computational traces such as activations, or attention maps. We unify these signals by representing them as attributed graphs, where tokens are nodes, edges follow attentional flows, and both carry features from attention scores and activations. Our approach, CHARM, casts hallucination detection as a graph learning task and tackles it by applying GNNs over the above attributed graphs. We show that CHARM provably subsumes prior attention-based heuristics and, experimentally, it consistently outperforms other leading approaches across diverse benchmarks. Our results shed light on the relevant role played by the graph structure and on the benefits of combining computational traces, whilst showing CHARM exhibits promising zero-shot performance on cross-dataset transfer.

Existing causal discovery methods are fundamentally limited by the assumption of a static causal graph, a constraint that fails in real-world systems where causal relationships dynamically vary with underlying system parameters. This discrepancy prevents the application of causal discovery in critical domains such as industrial process control, where understanding how causal effects change is essential. We address this gap by proposing a new paradigm that moves beyond static graphs to learn functional causal representations. We introduce a framework that models each causal link not as a static weight but as a function of measurable system parameters. By representing these functions using Polynomial Chaos Expansions (PCE), we develop a tractable method to learn the complete parametric causal structure from observational data. We provide theoretical proofs for the identifiability of these functional models and introduce a novel, provably convergent learning algorithm. On a large-scale chemical reactor dataset, our method learns the dynamic causal structure with a 90.9% F1-score, nearly doubling the performance of state-of-the-art baselines and providing an interpretable model of how causal mechanisms evolve.

Current state-of-the-art methods for out-of-distribution (OOD) generalization lack the ability to effectively address datasets with heterogeneous causal subgraphs at the instance level. Existing approaches that attempt to handle such heterogeneity either rely on data augmentation, which risks altering label semantics, or impose causal assumptions whose validity in real-world datasets is uncertain. We introduce a novel *Mixture-of-Experts (MoE)* framework that can model heterogeneous causal subgraphs without relying on restrictive assumptions. Our key idea is to address instance-level heterogeneity by enforcing semantic *diversity* among experts, each generating a distinct causal subgraph, while a learned gate assigns *sparse* weights that adaptively focus on the most relevant experts for each input. Our theoretical analysis shows that these two properties jointly reduce OOD error. In practice, our experts are scalable and do not require environment labels. Empirically, our framework achieves strong performance on the GOOD benchmark across both synthetic and real-world structural shifts.

Machine unlearning (MU) aims to remove the influence of specific training samples from a well-trained model, a task of growing importance due to the ``right to be forgotten.” The unlearned model should approach the retrained model, where forgetting data do not contribute to the training process. Therefore, unlearning should withdraw their contribution from the pre-trained model. However, quantifying and disentangling sample's contribution to overall learning process is highly challenging, leading most existing MU approaches to adopt other heuristic strategies such as random labeling or knowledge distillation. These operations inevitably degrade model utility, requiring additional maintenance with remaining data. To advance MU towards better utility and efficiency for practical deployment, we seek to approximate sample contribution with only the pre-trained model. We theoretically and empirically reveal that sample's contribution during training manifests in the learned model's increased sensitivity to it. In light of this, we propose MU-Mis (Machine Unlearning by Minimizing input sensitivity), which directly suppresses the contribution of forgetting data. This straightforward suppression enables MU-Mis to successfully unlearn without degrading model utility on the remaining data, thereby eliminating the need for access to the remaining data. To the best of our knowledge, this is the first time that a remaining-data-free method can outperform state-of-the-art (SOTA) unlearning methods that utilize the remaining data.

Mobile manipulators in households must both navigate and manipulate. This requires a compact, semantically rich scene representation that captures where objects are, how they function, and which parts are actionable. Scene graphs are a natural choice, yet prior work often separates spatial and functional relations, treats scenes as static snapshots without object states or temporal updates, and overlooks information most relevant for accomplishing the current task. To overcome these shortcomings, we introduce MomaGraph, a unified scene representation for embodied agents that integrates spatial-functional relationships and part-level interactive elements. However, advancing such a representation requires both suitable data and rigorous evaluation, which have been largely missing. To address this, we construct MomaGraph-Scenes, the first large-scale dataset of richly annotated, task-driven scene graphs in household environments, and design MomaGraph-Bench, a systematic evaluation suite spanning six reasoning capabilities from high-level planning to fine-grained scene understanding. Built upon this foundation, we further develop MomaGraph-R1, a 7B vision–language model trained with reinforcement learning on MomaGraph-Scenes. MomaGraph-R1 predicts task-oriented scene graphs and serves as a zero-shot task planner under a Graph-then-Plan framework. Extensive experiments show that our model achieves state-of-the-art results among open-source models, reaching 71.6% accuracy on the benchmark (+11.4% over the best baseline), while generalizing across public benchmarks and transferring effectively to real-robot experiments. More visualizations and robot demonstrations are available at https://momagraph.github.io/.

Graph Domain Adaptation (GDA) aims to bridge distribution shifts between domains by transferring knowledge from well-labeled source graphs to given unlabeled target graphs. One promising recent approach addresses graph transfer by discretizing the adaptation process, typically through the construction of intermediate graphs or stepwise alignment procedures. However, such discrete strategies often fail in real-world scenarios, where graph structures evolve continuously and nonlinearly, making it difficult for fixed-step alignment to approximate the actual transformation process. To address these limitations, we propose \textbf{DiffGDA}, a \textbf{Diff}usion-based \textbf{GDA} method that models the domain adaptation process as a continuous-time generative process. We formulate the evolution from source to target graphs using stochastic differential equations (SDEs), enabling the joint modeling of structural and semantic transitions. To guide this evolution, a domain-aware network is introduced to steer the generative process toward the target domain, encouraging the diffusion trajectory to follow an optimal adaptation path. We theoretically show that the diffusion process converges to the optimal solution bridging the source and target domains in the latent space. Extensive experiments on 14 graph transfer tasks across 8 real-world datasets demonstrate DiffGDA consistently outperforms state-of-the-art baselines.

Inductive Knowledge Graph Reasoning (KGR) aims to discover facts in open-domain KGs containing unknown entities and relations, which poses a challenge for KGR models in comprehending uncertain KG components. Existing studies have proposed Knowledge Graph Foundation Models (KGFMs) that learn structural invariances across KGs to handle this uncertainty. Recently, Large Language Models (LLMs) have demonstrated strong capabilities for open-domain knowledge reasoning. As a result, the latest research has focused on LLM-based KGFMs that integrate LLM knowledge with KG context for inductive KGR. However, the intrinsic knowledge of LLMs may be overshadowed by sparse KG context, leading to LLM knowledge distortion, which can cause irreversible damage to model reasoning. Moreover, existing LLM-based KGR methods still struggle to fully constrain generative hallucinations in LLMs, severely limiting the credibility of reasoning results. To address these limitations, we propose a Knowledge Reasoning Language Model (KRLM) that achieves unified coordination between LLM knowledge and KG context throughout the KGR process. Specifically, we design a Knowledge Reasoning Language (KRL) instruction format and a KRL tokenizer to align LLM knowledge with KG representations. Then, we propose a KRL attention layer that coordinates intrinsic LLM knowledge with additional KG context through a dynamic knowledge memory mechanism. Finally, a structure-aware next-entity predictor is proposed, which strictly constrains the reasoning results within a trustworthy knowledge domain. Extensive experimental results on 25 real-world inductive KGR datasets demonstrate the significant superiority of the proposed KRLM in both zero-shot reasoning and fine-tuning scenarios.

Relational Deep Learning (RDL) is a promising approach for building state-of-the-art predictive models on multi-table relational data by representing it as a heterogeneous temporal graph. However, commonly used Graph Neural Network models suffer from fundamental limitations in capturing complex structural patterns and long-range dependencies that are inherent in relational data. While Graph Transformers have emerged as powerful alternatives to GNNs on general graphs, applying them to relational entity graphs presents unique challenges: (i) Traditional positional encodings fail to generalize to massive, heterogeneous graphs; (ii) existing architectures cannot model the temporal dynamics and schema constraints of relational data; (iii) existing tokenization schemes lose critical structural information. Here we introduce the Relational Graph Transformer (RelGT), the first graph transformer architecture designed specifically for relational tables. RelGT employs a novel multi-element tokenization strategy that decomposes each node into five components (features, type, hop distance, time, and local structure), enabling efficient encoding of heterogeneity, temporality, and topology without expensive precomputation. Our architecture combines local attention over sampled subgraphs with global attention to learnable centroids, incorporating both local and database-wide representations. Across 21 tasks from the RelBench benchmark, RelGT consistently matches or outperforms GNN baselines by up to 18%, establishing Graph Transformers as a powerful architecture for Relational Deep Learning.

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 84.9% for Deepseek-R1 and 50.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.

We study the problem of zero-shot link prediction on knowledge graphs (KGs), which requires models to generalize to novel entities and novel relations. Knowledge graph foundation models (KGFMs) address this task by enforcing equivariance over both nodes and relations, which enables them to learn structural properties of nodes and relations that transfer to novel KGs with similar structure. However, the conventional notion of deterministic equivariance inherently limits the expressive power of KGFMs, as it prevents them from distinguishing relations that are structurally similar but semantically distinct. To overcome this limitation, we propose to leverage probabilistic node-relation equivariance, which preserves equivariance in distribution while using structured randomness to break symmetries at inference time. Building on this principle, we present Flock, a KGFM that iteratively samples random walks, encodes them into sequences, embeds them with a sequence model, and aggregates node and relation representations through learned pooling. Flock respects probabilistic node-relation equivariance and, crucially, is a universal approximator for isomorphism-invariant link-level functions over KGs. Empirically, Flock perfectly solves our new diagnostic dataset Petals on which current KGFMs fail, and achieves state-of-the-art performance on entity and relation prediction tasks across 54 KGs from diverse domains. Code is available at https://github.com/jw9730/flock.

Real-world temporal data often consists of multiple signal types recorded at irregular, asynchronous intervals. For instance, in the medical domain, different types of blood tests can be measured at different times and frequencies, resulting in fragmented and unevenly scattered temporal data. Similar issues of irregular sampling occur in other domains, such as the monitoring of large systems using event log files. Effectively learning from such data requires handling sets of temporally sparse and heterogeneous signals. In this work, we propose Graph Mixing Additive Networks (GMAN), a novel and interpretable-by-design framework for learning directly from sets of graphs that represent such signals. GMAN provides diverse interpretability capabilities, including node-level, graph-level, and subset-level importance, and enables practitioners to trade finer-grained interpretability for greater expressivity when domain priors are available. GMAN achieves state-of-the-art performance in real-world high-stakes tasks, including predicting Crohn’s disease onset and hospital length of stay from routine blood test measurements and detecting fake news. Furthermore, we demonstrate how GMAN’s interpretability properties assist in revealing disease development phase transitions and provide crucial insights in the healthcare domain.

Adapting large language models (LLMs) using smaller proxy models has been shown to improve training efficiency, where the LLMs remain frozen while the proxies are tuned on top. However, this approach typically requires access to the output probability distributions of LLMs, which are often inaccessible or unstable. To address this limitation, we propose KnowProxy, a knowledge-guided proxy framework in which the proxy is trained with textual knowledge rather than probability distributions. Specifically, we first elicit textual knowledge and reasoning from frozen LLMs through prompting, and then the proxy model learns to adapt this reasoning to target task distributions. We evaluate KnowProxy on diverse reasoning benchmarks with different fine-tuning scenarios. Comprehensive results show that KnowProxy achieves competitive or even better performance without direct access to probability distributions, thereby providing a scalable and versatile alternative to traditional fine-tuning.

Biosignals offer valuable insights into the physiological states of the human body. Although biosignal modalities differ in functionality, signal fidelity, sensor comfort, and cost, they are often intercorrelated, reflecting the holistic and interconnected nature of human physiology. This opens up the possibility of performing the same tasks using alternative biosignal modalities, thereby improving the accessibility, usability, and adaptability of health monitoring systems. However, the limited availability of large labeled datasets presents challenges for training models tailored to specific tasks and modalities of interest. Unsupervised cross-modal knowledge transfer offers a promising solution by leveraging knowledge from an existing modality to support model training for a new modality. Existing methods are typically based on knowledge distillation, which requires running a teacher model alongside student model training, resulting in high computational and memory overhead. This challenge is further exacerbated by the recent development of foundation models that demonstrate superior performance and generalization across tasks at the cost of large model sizes. To this end, we explore a new framework for unsupervised cross-modal knowledge transfer of biosignals by training a lightweight bridge network to align the intermediate representations and enable information flow between foundation models and across modalities. Specifically, we introduce an efficient strategy for selecting alignment positions where the bridge should be constructed, along with a flexible prototype network as the bridge architecture. Extensive experiments across multiple biosignal modalities, tasks, and datasets show that BioX-Bridge reduces the number of trainable parameters by 88-99\% while maintaining or even improving transfer performance compared to state-of-the-art methods.

Large Language Models (LLMs) excel at various reasoning tasks but still encounter challenges such as hallucination and factual inconsistency in knowledge-intensive tasks, primarily due to a lack of external knowledge and factual verification. These challenges could be mitigated by leveraging knowledge graphs (KGs) to support more reliable LLM reasoning. However, existing KG-augmented LLM frameworks still rely on static integration mechanisms that cannot adjust reasoning in response to evolving context and retrieved evidence, resulting in error propagation and incomplete reasoning. To alleviate these issues, we propose **V**erify-**o**n-**G**raph (**VoG**), a scalable and model-agnostic framework to enhance LLM reasoning via iterative retrieval, stepwise verification, and adaptive revision. Besides performing KG retrieval guided by an initially generated reasoning plan, VoG iteratively verifies and revises the reasoning plan, correcting intermediate errors in consideration of the varying contextual conditions. During plan revision, VoG leverages a context-aware multi-armed bandit strategy, guided by reward signals that capture uncertainty and semantic consistency, to enhance the alignment between the reasoning plan and retrieved evidence in a more adaptive and reliable way. Experimental results across three benchmark datasets show that VoG consistently improves both reasoning accuracy and efficiency. Our code is available at https://anonymous.4open.science/r/VoG-132C/.

Large Language Models (LLMs) are widely applied in real world scenarios, but fine-tuning them comes with significant computational and storage costs. Parameter-Efficient Fine-Tuning (PEFT) methods such as LoRA mitigate these costs, but the adapted parameters are dependent on the base model and cannot be transferred across different backbones. One way to address this issue is through knowledge distillation, but its effectiveness inherently depends on training data. Recent work such as TransLoRA avoids this by generating synthetic data, but this adds complexity because it requires training an additional discriminator model. In this paper, we propose TiTok, a new framework that enables effective LoRA Transplantation through Token-level knowledge transfer. Specifically, TiTok captures task-relevant information through a token-wise contrastive excess between a source model with and without LoRA. This excess highlights informative tokens and enables selective filtering of synthetic data, all without additional models or overhead. Through experiments on three benchmarks across multiple transfer settings, our experiments show that TiTok is consistently effective, achieving average performance gains of +4–8% compared to baselines overall.

Large language models (LLMs) have achieved impressive performance on knowledge-intensive tasks, yet they often struggle with multi-step reasoning due to the unstructured nature of retrieved context. While retrieval-augmented generation (RAG) methods provide external information, the lack of explicit organization among retrieved passages limits their effectiveness, leading to brittle reasoning pathways. Recent interpretability studies highlighting the importance of structured intermediate reasoning further align with this perspective. We propose Retrieval-And-Structuring (RAS), a framework that dynamically constructs question-specific knowledge graphs through iterative retrieval and structured knowledge building. RAS interleaves targeted retrieval planning with incremental graph construction, enabling models to assemble and reason over evolving knowledge structures tailored to each query. On seven knowledge-intensive benchmarks, RAS consistently outperforms strong baselines, achieving up to 8.7\% and 7.0\% gains with proprietary and open-source LLMs, respectively. Our results demonstrate that dynamic, question-specific knowledge structuring offers a robust path to improving reasoning accuracy and robustness in language model generation.

Associative memory systems face significant challenges in efficiently retrieving semantically related information from large document collections, particularly when queries require traversing complex relationships between concepts. Traditional retrieval-augmented generation (RAG) approaches often struggle to capture intricate associative patterns and relationships embedded within textual data. To address this limitation, we propose BrowseNet, a novel associative memory framework that leverages query-specific subgraph exploration within a named-entity-based graph for enhanced information retrieval. Our method transforms unstructured text into a graph-of-chunks representation, where nodes encode document chunks with semantic embeddings and edges capture lexical relationships between content segments. By dynamically traversing the graph-of-chunks based on query characteristics, BrowseNet emulates content-addressable memory systems that enable efficient pattern matching and associative recall. The framework incorporates both structural similarity derived from lexical relationships and semantic similarity based on embedding representations to optimize retrieval performance. We evaluate BrowseNet against established RAG baselines and state-of-the-art (SOTA) pipelines using publicly available datasets that require associative reasoning across multiple information sources. Experimental results demonstrate that BrowseNet achieves SOTA performance in exact match score over both the graph-based RAG approaches and the dense retrieval methods. The two-pronged approach combining structural graph traversal with semantic embeddings enables more effective associative memory retrieval, particularly for queries requiring the integration of disparate but related information. The code and datasets are open-sourced at: https://github.com/bisect-group/BrowseNet

Graph retrieval-augmented generation (GraphRAG) has emerged as a powerful paradigm for enhancing large language models (LLMs) with external knowledge. It leverages graphs to model the hierarchical structure between specific concepts, enabling more coherent and effective knowledge retrieval for accurate reasoning. Despite its conceptual promise, recent studies report that GraphRAG frequently underperforms vanilla RAG on many real-world tasks. This raises a critical question: Is GraphRAG really effective, and in which scenarios do graph structures provide measurable benefits for RAG systems? To address this, we propose GraphRAG-Bench, a comprehensive benchmark designed to evaluate GraphRAG models on both hierarchical knowledge retrieval and deep contextual reasoning. GraphRAG-Bench features a comprehensive dataset with tasks of increasing difficulty, covering fact retrieval, complex reasoning, contextual summarize, and creative generation, and a systematic evaluation across the entire pipeline, from graph construction and knowledge retrieval to final generation. Leveraging this novel benchmark, we systematically investigate the conditions when GraphRAG surpasses traditional RAG and the underlying reasons for its success, offering guidelines for its practical application. All related resources and analysis are collected for the community at https://github.com/GraphRAG-Bench/GraphRAG-Benchmark.