News & Research

arXiv:2502.07027v3 Announce Type: replace-cross Abstract: Molecular Relational Learning (MRL) is widely applied in natural sciences to predict relationships between molecular pairs by extracting structural features. The representational similarity between substructure pairs determines the functional compatibility of molecular binding sites. Nevertheless, aligning substructure representations by attention mechanisms lacks guidance from chemical knowledge, resulting in unstable model performance in chemical space (\textit{e.g.}, functional group, scaffold) shifted data. With theoretical justification, we propose the \textbf{Re}presentational \textbf{Align}ment with Chemical Induced \textbf{Fit} (ReAlignFit) to enhance the stability of MRL. ReAlignFit dynamically aligns substructure representation in MRL by introducing chemical Induced Fit-based inductive bias. In the induction process, we design the Bias Correction Function based on substructure edge reconstruction to align representatio

arXiv:2502.17119v2 Announce Type: replace-cross Abstract: Deep generative models have made rapid progress in image, text, audio, and video generation, and are increasingly being applied to structured records. For tabular data, however, generative modeling remains difficult: a dataset may contain numerical and categorical attributes, missing values, sensitive fields, imbalanced categories, complex feature dependencies, and domain constraints. Earlier tabular data modeling methods based on GANs or VAEs have achieved useful results, but they can suffer from unstable training, mode collapse, weak modeling of multimodal distributions, and fragile handling of mixed-type features. Diffusion models have therefore attracted growing interest because their noising-and-denoising formulation provides a flexible and stable way to model complex data distributions, and has been adapted to tabular synthesis, missing-value imputation, trustworthy data generation, and anomaly detection. Flow matching off

arXiv:2502.20349v5 Announce Type: replace-cross Abstract: How can cognitive science build generalizable theories that span the full scope of natural situations and behaviors? We argue that progress in Artificial Intelligence (AI) offers timely opportunities for cognitive science to embrace experiments with increasingly naturalistic stimuli, tasks, and behaviors; and computational models that can accommodate these changes. We first review a growing body of research spanning neuroscience, cognitive science, and AI that suggests that incorporating a broader range of naturalistic experimental paradigms, and models that accommodate them, may be necessary to resolve some aspects of natural intelligence and ensure that our theories generalize. We review cases from cognitive science and neuroscience where naturalistic paradigms elicit distinct behaviors or engage different processes. We then discuss recent progress in AI that shows that learning from naturalistic data yields qualitatively diff

arXiv:2504.09846v2 Announce Type: replace-cross Abstract: Frequent and long-term exposure to hyperglycemia increases the risk of chronic complications, including neuropathy, nephropathy, and cardiovascular disease. Existing continuous subcutaneous insulin infusion (CSII) and continuous glucose monitoring (CGM) technologies model only specific aspects of glycemic regulation, such as predicting hypoglycemia and administering small insulin boluses. Similarly, current digital twin approaches in diabetes management primarily focus on predicting glucose responses to human behavior and insulin therapy. As a result, these technologies lack the ability to provide alternative treatment scenarios that could guide proactive behavioral interventions for optimal diabetes management. To address this gap, we propose GlyTwin, a novel computational framework that enhances digital twin technologies by integrating counterfactual explanations to simulate optimal behavioral treatments for glucose control. G

arXiv:2506.04390v2 Announce Type: replace-cross Abstract: Retrieval-augmented generation (RAG) systems are vulnerable to attacks that inject poisoned passages into the retrieved context, even at low corruption rates. We show that existing attacks are not designed to be stealthy, allowing reliable detection and mitigation. We formalize a distinguishability-based security game to quantify stealth for such attacks. If a few poisoned passages control the response, they must bias the inference process more than the benign ones, inherently compromising stealth. This motivates analyzing intermediate signals of LLMs, such as attention weights, to approximate the influence of different passages on the response. Leveraging attention weights, we introduce the $\textbf{Normalized Passage Attention Score}$ (NPAS) and a lightweight $\textbf{Attention-Variance Filter}$ (AV Filter) that flags anomalous passages. Our method improves robustness, yielding up to $\sim$ $\textbf{20%}$ higher accuracy than

arXiv:2508.12247v3 Announce Type: replace-cross Abstract: Recently, spatio-temporal time-series prediction has developed rapidly, yet existing deep learning methods struggle with learning complex long-term spatio-temporal dependencies efficiently. The long-term spatio-temporal dependency learning brings two new challenges: 1) The long-term temporal sequence naturally includes multiscale information, which is hard to extract efficiently; 2) The multiscale temporal information from different nodes is highly correlated and hard to model. To address these challenges, we propose Spatio-Temporal Mixture of Multiscale Mamba (STM3). STM3 integrates a Multiscale Mamba architecture within a novel Disentangled Mixture-of-Experts (DMoE) framework to capture diverse multiscale information efficiently, while utilizing an adaptive graph causal network to model complex spatial dependencies. To ensure robust representation learning, we introduce a stable routing strategy and a causal contrastive learni

arXiv:2508.14083v3 Announce Type: replace-cross Abstract: The ubiquity of missing data in urban intelligence systems, attributable to adverse environmental conditions and equipment failures, poses a significant challenge to the efficacy of downstream applications, notably in the realms of traffic forecasting and energy consumption prediction. Therefore, it is imperative to develop a robust spatio-temporal learning methodology capable of extracting meaningful insights from incomplete datasets. Despite the existence of methodologies for spatio-temporal graph forecasting in the presence of missing values, unresolved issues persist. Primarily, the majority of extant research is predicated on time-series analysis, thereby neglecting the dynamic spatial correlations inherent in sensor networks. Additionally, the complexity of missing data patterns compounds the intricacy of the problem. Furthermore, the variability in maintenance conditions results in a significant fluctuation in the ratio a

arXiv:2508.14311v2 Announce Type: replace-cross Abstract: There is an increasing need to enforce multiple, often competing, measures of fairness within automated decision systems. The appropriate weighting of these fairness objectives is typically unknown a priori, may change over time and, in our setting, must be learned adaptively through sequential interactions. In this work, we address this challenge in a bandit setting, where decisions are made with graph-structured feedback.

arXiv:2509.06858v2 Announce Type: replace-cross Abstract: Large Language Models are increasingly used to simulate human opinion dynamics, yet the effect of genuine interaction is often obscured by systematic biases. We develop a Bayesian framework to disentangle and quantify three such biases: (i) A topic bias toward the LLM's default stance; (ii) an agreement bias favoring agreement to the prompted statement irrespective of the question; and (iii) an anchoring bias toward the initiating agent's stance. We apply this framework to various LLMs that performed multi-step dialogues on 12 different questions from climate change and societal justice to music preferences. We find that opinion trajectories tend to quickly converge to a shared attractor, with the influence of both interaction and biases decaying over time, and with the impact of biases differing between LLMs. In addition, we show that fine-tuning an LLM on different sets of strongly opinionated statements (including misinformat

arXiv:2509.26383v5 Announce Type: replace-cross Abstract: Knowledge-graph retrieval-augmented generation (KG-RAG) couples large language models (LLMs) with structured, verifiable knowledge graphs (KGs) to reduce hallucination and provide reasoning traces. However, current KG-RAG systems often rely on fixed pipelines of multiple LLM modules (e.g., planning, reasoning, and responding), which inflate inference costs and tie performance to specific graph schemas. To address this, we introduce KG-R1, an agentic framework that optimizes KG-RAG through reinforcement learning (RL). Unlike modular workflows, KG-R1 uses a single agent that interacts with KGs as its environment, learning to retrieve information at each step and incorporating it into its reasoning and generation in a unified process. Across Knowledge-Graph Question Answering (KGQA) benchmarks, KG-R1 demonstrates both efficiency and transferability-using Qwen 2.5-3B, KG-R1 improves answer accuracy with fewer generation tokens than

arXiv:2510.00915v4 Announce Type: replace-cross Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) replaces costly human labeling with automated verifiers. To reduce verifier hacking, many RLVR systems binarize rewards to $\{0,1\}$, but imperfect verifiers inevitably introduce \emph{false negatives} (rejecting correct answers) and \emph{false positives} (accepting incorrect ones). We formalize verifier unreliability as a stochastic reward channel with asymmetric noise rates $\rho_0$ and $\rho_1$ -- the FP rate and the FN rate, respectively. From this abstraction we derive two lightweight corrections: (i) a \emph{backward} correction that yields an unbiased surrogate reward and thus an unbiased policy-gradient estimator in expectation, and (ii) a \emph{forward} correction that reweights score-function terms so the expected update aligns with the clean gradient direction and requires only the FN rate. We implement both as lightweight hooks in a group relative policy optimiza

arXiv:2510.04567v2 Announce Type: replace-cross Abstract: Graph Neural Networks (GNNs) are powerful tools for processing relational data but often struggle to generalize to unseen graphs, giving rise to the development of Graph Foundational Models (GFMs). However, current GFMs are challenged by the extreme heterogeneity of graph data, where each graph can possess a unique feature space, label set, and topology. To address this, two main paradigms have emerged. The first leverages Large Language Models (LLMs), but is fundamentally text-dependent, thus struggles to handle the numerical features in vast graphs. The second pre-trains a structure-based model, but the adaptation to new tasks typically requires a costly, per-graph tuning stage, creating a critical efficiency bottleneck. In this work, we move beyond these limitations and introduce \textbf{G}raph \textbf{I}n-context \textbf{L}earning \textbf{T}ransformer (GILT), a framework built on an LLM-free and tuning-free architecture. GIL

arXiv:2510.09136v2 Announce Type: replace-cross Abstract: Personalized news recommendations have become a standard feature of large news aggregation services, optimizing user engagement through automated content selection. In contrast, legacy news media often approach personalization cautiously, striving to balance technological innovation with core editorial values. As a result, online platforms of traditional news outlets typically combine editorially curated content with algorithmically selected articles - a strategy we term controlled personalization. In this industry article, we evaluate the effectiveness of controlled personalization through an A/B test conducted on the website of a major Norwegian legacy news organization. Our findings indicate that even a modest level of personalization yields substantial benefits. Specifically, we observe that users exposed to personalized content demonstrate higher click-through-rates and reduced navigation effort, suggesting improved discove

arXiv:2510.21270v2 Announce Type: replace-cross Abstract: Scaling the context length of large language models (LLMs) offers significant benefits but is computationally expensive. This expense stems primarily from the self-attention mechanism, whose $O(N^2)$ complexity with respect to sequence length presents a major bottleneck for both memory and latency. Fortunately, the attention matrix is often sparse, particularly for long sequences, suggesting an opportunity for optimization. Block-sparse attention has emerged as a promising solution that partitions sequences into blocks and skips computation for a subset of these blocks. However, the effectiveness of this method is highly dependent on the underlying attention patterns, which can lead to sub-optimal block-level sparsity. For instance, important key tokens for queries within a single block may be scattered across numerous other blocks, leading to computational redundancy. In this work, we propose Permuted Block-Sparse Attention (\t

arXiv:2511.22521v3 Announce Type: replace Abstract: Document visual question answering requires models not only to answer questions correctly, but also to precisely localize answers within complex document layouts. While large vision-language models (VLMs) achieve strong spatial grounding, their inference cost and latency limit real-world deployment. Compact VLMs are more efficient, but they often suffer substantial localization degradation under standard fine-tuning or distillation. To address this gap, we propose DocVAL, a validated chain-of-thought (CoT) distillation framework that transfers explicit spatial reasoning from large teacher models to compact, deployable student VLMs. DocVAL combines (1) teacher-generated spatial CoT supervision, (2) a rule-based dual-mode validator that filters low-quality training signals and provides fine-grained, pixel-level corrective feedback, and (3) a validation-driven two-stage training procedure with iterative refinement. Text detection is used