Data attribution methods, which quantify the influence of individual training data points on a machine learning model, have gained increasing popularity in data-centric applications in modern AI. Despite a recent surge of new methods developed in this space, the impact of hyperparameter tuning in these methods remains under-explored. In this work, we present the first large-scale empirical study to understand the hyperparameter sensitivity of common data attribution methods. Our results show that most methods are indeed sensitive to certain key hyperparameters. However, unlike typical machine learning algorithms---whose hyperparameters can be tuned using computationally-cheap validation metrics---evaluating data attribution performance often requires retraining models on subsets of training data, making such metrics prohibitively costly for hyperparameter tuning.

Protein-protein interactions (PPIs) are governed by surface complementarity and hydrophobic interactions at protein interfaces. However, designing diverse and physically realistic protein structure and surfaces that precisely complement target receptors remains a significant challenge in computational protein design. In this work, we introduce PepBridge, a novel framework for the joint design of protein surface and structure that seamlessly integrates receptor surface geometry and biochemical properties. Starting with a receptor surface represented as a 3D point cloud, PepBridge generates complete protein structures through a multi-step process. First, it employs denoising diffusion bridge models (DDBMs) to map receptor surfaces to ligand surfaces. Next, a multi-model diffusion model predicts the corresponding structure, while Shape-Frame Matching Networks ensure alignment between surface geometry and backbone architecture. This integrated approach facilitates surface complementarity, conformational stability, and chemical feasibility. Extensive validation across diverse protein design scenarios demonstrates PepBridge's efficacy in generating structurally viable proteins, representing a significant advancement in the joint design of top-down protein structure.

Test-time scaling in agentic tasks often relies on generating long reasoning traces (think more) before acting, but this does not allow agents to acquire new information from the environment or adapt behavior over time. In this work, we propose scaling test-time interaction, an untapped dimension for test-time scaling that increases the agent's interaction horizon to enable rich behaviors such as exploration, backtracking, and dynamic re-planning within a single rollout. To demonstrate the promise of this scaling dimension, we situate our study in the domain of web agents. We first show that even prompting-based interaction scaling can improve task success on web benchmarks non-trivially. Building on this, we introduce TTI, a curriculum-based online reinforcement learning (RL) approach that trains agents by adaptively adjusting their interaction lengths during rollout. Using a Gemma 3 12B model, TTI sets a new state-of-the-art among open-source agents trained on public data on WebVoyager and WebArena. Case studies further reveal that TTI enables agents to balance exploration and exploitation adaptively. Our results establish interaction scaling as a powerful, complementary axis to scaling per-action compute, offering new avenues for training robust and adaptive agents.

The growing prevalence of streaming data and increasing concerns over data privacy pose significant challenges for traditional nonparametric regression methods, which are often ill-suited for real-time, privacy-aware learning. In this paper, we tackle these issues by first proposing a novel one-pass online functional stochastic gradient descent algorithm that leverages the Huber loss (H-FSGD), to improve robustness against outliers and heavy-tailed errors in dynamic environments. To further accommodate privacy constraints, we introduce a locally differentially private extension, Private H-FSGD (PH-FSGD), designed to real-time, privacy-preserving estimation. Theoretically, we conduct a comprehensive non-asymptotic convergence analysis of the proposed estimators, establishing finite-sample guarantees and identifying optimal step size schedules that achieve optimal convergence rates. In particular, we provide practical insights into the impact of key hyperparameters, such as step size and privacy budget, on convergence behavior. Extensive experiments validate our theoretical findings, demonstrating that our methods achieve strong robustness and privacy protection without sacrificing efficiency.

Autonomous agentic AI systems powered by vision-language models (VLMs) are rapidly advancing toward real-world deployment, yet their cross-modal reasoning capabilities introduce new attack surfaces for adversarial manipulation that exploit semantic reasoning across modalities. Existing adversarial attacks typically rely on visible pixel perturbations or require privileged model or environment access, making them impractical for stealthy, real-world exploitation. We introduce TRAP, a novel generative adversarial framework that manipulates the agent's decision-making using diffusion-based semantic injections into the vision-language embedding space. Our method combines negative prompt-based degradation with positive semantic optimization, guided by a Siamese semantic network and layout-aware spatial masking. Without requiring access to model internals, TRAP produces visually natural images yet induces consistent selection biases in agentic AI systems. We evaluate TRAP on the Microsoft Common Objects in Context (COCO) dataset, building multi-candidate decision scenarios. Across these scenarios, TRAP consistently induces decision-level preference redirection on leading models, including LLaVA-34B, Gemma3, GPT-4o, and Mistral-3.2,

In this paper, we address the problem of cost-sensitive hyperparameter optimization (HPO) built upon freeze-thaw Bayesian optimization (BO). Specifically, we assume a scenario where users want to early-stop the HPO process when the expected performance improvement is not satisfactory with respect to the additional computational cost. Motivated by this scenario, we introduce \emph{utility} in the freeze-thaw framework, a function describing the trade-off between the cost and performance that can be estimated from the user's preference data. This utility function, combined with our novel acquisition function and stopping criterion, allows us to dynamically continue training the configuration that we expect to maximally improve the utility in the future, and also automatically stop the HPO process around the maximum utility. Further, we improve the sample efficiency of existing freeze-thaw methods with transfer learning to develop a specialized surrogate model for the cost-sensitive HPO problem. We validate our algorithm on established multi-fidelity HPO benchmarks and show that it outperforms all the previous freeze-thaw BO and transfer-BO baselines we consider, while achieving a significantly better trade-off between the cost and performance.

Open-vocabulary scene graph generation (OVSGG) extends traditional SGG by recognizing novel objects and relationships beyond predefined categories, leveraging the knowledge from pre-trained large-scale models. Existing OVSGG methods always adopt a two-stage pipeline: 1) Infusing knowledge into large-scale models via pre-training on large datasets; 2) Transferring knowledge from pre-trained models with fully annotated scene graphs during supervised fine-tuning. However, due to a lack of explicit interaction modeling, these methods struggle to distinguish between interacting and non-interacting instances of the same object category. This limitation induces critical issues in both stages of OVSGG: it generates noisy pseudo-supervision from mismatched objects during knowledge infusion, and causes ambiguous query matching during knowledge transfer. To this end, in this paper, we propose an interACtion-Centric end-to-end OVSGG framework (ACC) in an interaction-driven paradigm to minimize these mismatches. For interaction-centric knowledge infusion, ACC employs a bidirectional interaction prompt for robust pseudo-supervision generation to enhance the model's interaction knowledge. For interaction-centric knowledge transfer, ACC first adopts interaction-guided query selection that prioritizes pairing interacting objects to reduce interference from non-interacting ones. Then, it integrates interaction-consistent knowledge distillation to bolster robustness by pushing relational foreground away from the background while retaining general knowledge. Extensive experimental results on three benchmarks show that ACC achieves state-of-the-art performance, demonstrating the potential of interaction-centric paradigms for real-world applications.

Modern foundation models are trained on diverse datasets to enhance generalization across tasks and domains. A central challenge in this process is determining how to effectively mix and sample data from multiple sources. This naturally leads to a multi-task learning (MTL) perspective. While prior work in MTL has emphasized mitigating gradient conflicts, we observe that large-scale pretraining scenarios--such as multilingual or multi-domain training--often exhibit little to no gradient conflict. Motivated by this observation, we propose $\textbf{PiKE}$ ($\textbf{P}$ositive gradient $\textbf{i}$nteraction-based $\textbf{K}$-task weights $\textbf{E}$stimator), an adaptive data mixing algorithm that dynamically adjusts sampling weights during training. PiKE exploits non-conflicting gradient interactions to minimize a near-tight upper bound on the average loss decrease at each step, while incurring negligible computational overhead. We provide theoretical convergence guarantees and show that PiKE outperforms static and non-adaptive mixing baselines. Furthermore, we extend PiKE to promote balanced learning across tasks. Extensive experiments on large-scale language model pretraining confirm that PiKE achieves faster convergence and improved downstream performance compared to existing approaches.

Point cloud completion, aiming to reconstruct missing part from incomplete point clouds, is a pivotal task in 3D computer vision. Traditional supervised approaches often necessitate complete point clouds for training supervision, which are not readily accessible in real-world applications. Recent studies have attempted to mitigate this dependency by employing self-supervise mechanisms. However, these approaches frequently yield suboptimal results due to the absence of complete structure in the point cloud data during training. To address these issues, in this paper, we propose an effective framework to complete the point cloud under the guidance of self learned complete structure. A key contribution of our work is the development of a novel self-supervised complete structure reconstruction module, which can learn the complete structure explicitly from incomplete point clouds and thus eliminate the reliance on training data from complete point clouds. Additionally, we introduce a contrastive learning approach at both the cluster-and instance-level to extract shape features guided by the complete structure and to capture style features, respectively. This dual-level learning design ensures that the generated point clouds are both shape-completed and detail-preserving. Extensive experiments on both synthetic and real-world datasets demonstrate that our approach significantly outperforms state-of-the-art self-supervised methods.

Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to specific design choices and lack comprehensive empirical validation on large-scale data. This leaves a gap between theory and practice, preventing generalizable insights that exceed particular application domains. Here, we propose the Generalized-Distance Transformer (GDT), a GT architecture using standard attention that incorporates many advancements for GTs from recent years, and develop a fine-grained understanding of the GDT's representation power in terms of attention and PEs. Through extensive experiments, we identify design choices that consistently perform well across various applications, tasks, and model scales, demonstrating strong performance in a few-shot transfer setting without fine-tuning. Our evaluation covers over eight million graphs with roughly 270M tokens across diverse domains, including image-based object detection, molecular property prediction, code summarization, and out-of-distribution algorithmic reasoning.