modification
Red-Teaming Text-to-Image Systems by Rule-based Preference Modeling
Text-to-image (T2I) models raise ethical and safety concerns due to their potential to generate inappropriate or harmful images. Evaluating these models' security through red-teaming is vital, yet white-box approaches are limited by their need for internal access, complicating their use with closed-source models. Moreover, existing black-box methods often assume knowledge about the model's specific defense mechanisms, limiting their utility in real-world commercial API scenarios. A significant challenge is how to evade unknown and diverse defense mechanisms. To overcome this difficulty, we propose a novel Rule-based Preference modeling Guided Red-Teaming (RPG-RT), which iteratively employs LLM to modify prompts to query and leverages feedback from T2I systems for fine-tuning the LLM. RPG-RT treats the feedback from each iteration as a prior, enabling the LLM to dynamically adapt to unknown defense mechanisms. Given that the feedback is often labeled and coarse-grained, making it difficult to utilize directly, we further propose rule-based preference modeling, which employs a set of rules to evaluate desired or undesired feedback, facilitating finer-grained control over the LLM's dynamic adaptation process. Extensive experiments on nineteen T2I systems with varied safety mechanisms, three online commercial API services, and T2V models verify the superiority and practicality of our approach. Our codes are available at: https://github.com/caosip/RPG-RT.
Towards Precision Protein-Ligand Affinity Prediction Benchmark: AComplete and Modification-Aware DAVISDataset
Advancements in AI for science unlocks capabilities for critical drug discovery tasks such as protein-ligand binding affinity prediction. However, current models overfit to existing oversimplified datasets that does not represent naturally occurring and biologically relevant proteins with modifications. In this work, we curate a complete and modification-aware version of the widely used DAVIS dataset by incorporating 4,032 kinase-ligand pairs involving substitutions, insertions, deletions, and phosphorylation events. This enriched dataset enables benchmarking of predictive models under biologically realistic conditions. Based on this new dataset, we propose three benchmark settings--Augmented Dataset Prediction, Wild-Type to Modification Generalization, and Few-Shot Modification Generalization--designed to assess model robustness in the presence of protein modifications. Through extensive evaluation of both docking-free and docking-based methods, we find that docking-based model generalize better in zero-shot settings. In contrast, docking-free models tend to overfit to wild-type proteins and struggle with unseen modifications but show notable improvement when fine-tuned on a small set of modified examples. We anticipate that the curated dataset and benchmarks offer a valuable foundation for developing models that better generalize to protein modifications, ultimately advancing precision medicine in drug discovery.
Instance-Level Composed Image Retrieval
The progress of composed image retrieval (CIR), a popular research direction in image retrieval, where a combined visual and textual query is used, is held back by the absence of high-quality training and evaluation data. We introduce a new evaluation dataset, i-CIR, which, unlike existing datasets, focuses on an instancelevel class definition. The goal is to retrieve images that contain the same particular object as the visual query, presented under a variety of modifications defined by textual queries. Its design and curation process keep the dataset compact to facilitate future research, while maintaining its challenge--comparable to retrieval among more than 40M random distractors--through a semi-automated selection of hard negatives.
OligoGym: Curated Datasets and Benchmarks for Oligonucleotide Drug Discovery
Oligonucleotide therapeutics offer great potential to address previously undruggable targets and enable personalized medicine. However, their progress is often hindered by insufficient safety and efficacy profiles. Predictive modeling and machine learning could significantly accelerate oligonucleotide drug discovery by identifying suboptimal compounds early on, but their application in this area lags behind other modalities. A key obstacle to the adoption of machine learning in the field is the scarcity of readily accessible and standardized datasets for model development, as data are often scattered across diverse experiments with inconsistent molecular representations. To overcome this challenge, we introduce OligoGym, a curated collection of standardized, machine learning-ready datasets encompassing various oligonucleotide therapeutic modalities and endpoints. We used OligoGym to benchmark diverse classical and deep learning methods, establishing performance baselines for each dataset across different featurization techniques, model configurations, and splitting strategies. Our work represents a crucial first step in creating a more unified framework for oligonucleotide therapeutic dataset generation and model training.
Geometrical fairness in graph neural networks
Pรฉrez-Peralta, Arturo, Benรญtez-Peรฑa, Sandra, Kolic, Blas, Lillo, Rosa E.
Graph-based learning methods have become increasingly prominent due to their strong performance across diverse applications. Among these, recent frameworks grounded in diffusion processes provide a unifying perspective that extends traditional graph neural network formulations while addressing limitations of standard message-passing mechanisms. Despite these advances, concerns remain regarding the fairness of such models, as they may propagate or amplify biases present in the data. In this work, we introduce a fairness-aware adaptation of graph-based diffusion by modifying the underlying Laplacian operator. Our approach incorporates multiple complementary transformations, including subspace projections, spectral adjustments, and frequency-based filtering, to mitigate bias-related components. Leveraging the intrinsic smoothing properties of graph diffusion, we provide a principled analysis of the resulting behavior and establish theoretical insights into fairness properties. We evaluate the proposed framework on both synthetic and real-world datasets, demonstrating that it achieves competitive performance while improving fairness metrics with limited additional computational cost.
MIGGPT: Harnessing Large Language Models for Automated Migration of Out-of-Tree Linux Kernel Patches Across Versions
Out-of-tree kernel patches are essential for adapting the Linux kernel to new hardware or enabling specific functionalities. Maintaining and updating these patches across different kernel versions demands significant effort from experienced engineers. Large language models (LLMs) have shown remarkable progress across various domains, suggesting their potential for automating out-of-tree kernel patch migration. However, our findings reveal that LLMs, while promising, struggle with incomplete code context understanding and inaccurate migration point identification. In this work, we propose MIGGPT, a framework that employs a novel code fingerprint structure to retain code snippet information and incorporates three meticulously designed modules to improve the migration accuracy and efficiency of out-of-tree kernel patches. Furthermore, we establish a robust benchmark using real-world out-of-tree kernel patch projects to evaluate LLM capabilities. Evaluations show that MIGGPT significantly outperforms the direct application of vanilla LLMs, achieving an average completion rate of 74.07%
CAMILA: Context-Aware Masking for Image Editing with Language Alignment
Text-guided image editing has been allowing users to transform and synthesize images through natural language instructions, offering considerable flexibility. However, most existing image editing models naively attempt to follow all user instructions, even if those instructions are inherently infeasible or contradictory, often resulting in nonsensical output. To address these challenges, we propose a contextaware method for image editing named as CAMILA (Context-Aware Masking for Image Editing with Language Alignment). CAMILA is designed to validate the contextual coherence between instructions and the image, ensuring that only relevant edits are applied to the designated regions while ignoring non-executable instructions. For comprehensive evaluation of this new method, we constructed datasets for both single-and multi-instruction image editing, incorporating the presence of infeasible requests. Our method achieves better performance and higher semantic alignment than state-of-the-art models, demonstrating its effectiveness in handling complex instruction challenges while preserving image integrity.
MultiScale Contextual Bandits for Long Term Objectives
The feedback that AI systems (e.g., recommender systems, chatbots) collect from user interactions is a crucial source of training data. While short-term feedback (e.g., clicks, engagement) is widely used for training, there is ample evidence that optimizing short-term feedback does not necessarily achieve the desired long-term objectives. Unfortunately, directly optimizing for long-term objectives is challenging, and we identify the disconnect in the timescales of short-term interventions (e.g., rankings) and the long-term feedback (e.g., user retention) as one of the key obstacles. To overcome this disconnect, we introduce the framework of MultiScale Policy Learning to contextually reconcile that AI systems need to act and optimize feedback at multiple interdependent timescales. Following a PAC-Bayes motivation, we show how the lower timescales with more plentiful data can provide a data-dependent hierarchical prior for faster learning at higher scales, where data is more scarce.
Enabling Instructional Image Editing with In-Context Generation in Large Scale Diffusion Transformer
Instruction-based image editing enables precise modifications via natural language prompts, but existing methods face a precision-efficiency tradeoff: fine-tuning demands massive datasets (>10M) and computational resources, while training-free approaches suffer from weak instruction comprehension. We address this by proposing \textbf{ICEdit}, which leverages the inherent comprehension and generation abilities of large-scale Diffusion Transformers (DiTs) through three key innovations: (1) An in-context editing paradigm without architectural modifications; (2) Minimal parameter-efficient fine-tuning for quality improvement; (3) Early Filter Inference-Time Scaling, which uses VLMs to select high-quality noise samples for efficiency. Experiments show that ICEdit achieves state-of-the-art editing performance with only 0.1\% of the training data and 1\% trainable parameters compared to previous methods. Our approach establishes a new paradigm for balancing precision and efficiency in instructional image editing.
Towards precision protein-ligand affinity prediction benchmark: A Complete and Modification-Aware DAVIS Dataset
Advancements in AI for science unlocks capabilities for critical drug discovery tasks such as protein-ligand binding affinity prediction. However, current models overfit to existing oversimplified datasets that does not represent naturally occurring and biologically relevant proteins with modifications. In this work, we curate a complete and modification-aware version of the widely used DAVIS dataset by incorporating 4,032 kinase-ligand pairs involving substitutions, insertions, deletions, and phosphorylation events. This enriched dataset enables benchmarking of predictive models under biologically realistic conditions. Based on this new dataset, we propose three benchmark settings--Augmented Dataset Prediction, Wild-Type to Modification Generalization, and Few-Shot Modification Generalization--designed to assess model robustness in the presence of protein modifications. Through extensive evaluation of both docking-free and docking-based methods, we find that docking-based model generalize better in zero-shot settings. In contrast, docking-free models tend to overfit to wild-type proteins and struggle with unseen modifications but show notable improvement when fine-tuned on a small set of modified examples. We anticipate that the curated dataset and benchmarks offer a valuable foundation for developing models that better generalize to protein modifications, ultimately advancing precision medicine in drug discovery.