Deep learning-based drug-target interaction (DTI) prediction methods have demonstrated strong performance; however, real-world applicability remains constrained by limited data diversity and modeling complexity. To address these challenges, we propose SCOPE-DTI, a unified framework combining a large-scale, balanced semi-inductive human DTI dataset with advanced deep learning modeling. Constructed from 13 public repositories, the SCOPE dataset expands data volume by up to 100-fold compared to common benchmarks such as the Human dataset. The SCOPE model integrates three-dimensional protein and compound representations, graph neural networks, and bilinear attention mechanisms to effectively capture cross domain interaction patterns, significantly outperforming state-of-the-art methods across various DTI prediction tasks. Additionally, SCOPE-DTI provides a user-friendly interface and database. We further validate its effectiveness by experimentally identifying anticancer targets of Ginsenoside Rh1. By offering comprehensive data, advanced modeling, and accessible tools, SCOPE-DTI accelerates drug discovery research.

Longer thought, better performance: large language models with deep reasoning capabilities, particularly o1-like models, have demonstrated remarkable performance by generating extensive thought processes during inference. This trade-off reveals a potential vulnerability: adversaries could compromise model performance by forcing immediate responses without thought processes. To this end, in this paper, we introduce a novel attack scenario targeting the long thought processes of o1-like models and propose BoT (Break CoT), which can selectively break intrinsic reasoning mechanisms through backdoor attacks. BoT constructs poisoned datasets with designed triggers and injects backdoor by either supervised fine-tuning or direct preference optimization. When triggered, the model directly generates answers without thought processes, while maintaining normal reasoning capabilities for clean inputs. Extensive experiments on open-source o1-like models, including recent DeepSeek-R1, demonstrate that BoT nearly achieves high attack success rates while maintaining clean accuracy, highlighting the critical safety risk in current models. Furthermore, the relationship between task difficulty and helpfulness reveals a potential application for good, enabling users to customize model behavior based on task complexity. Code is available at \href{https://github.com/zihao-ai/BoT}{https://github.com/zihao-ai/BoT}.

Monocular 3D object detection is a challenging task in autonomous systems due to the lack of explicit depth information in single-view images. Existing methods often depend on external depth estimators or expensive sensors, which increase computational complexity and hinder real-time performance. To overcome these limitations, we propose AuxDepthNet, an efficient framework for real-time monocular 3D object detection that eliminates the reliance on external depth maps or pre-trained depth models. AuxDepthNet introduces two key components: the Auxiliary Depth Feature (ADF) module, which implicitly learns depth-sensitive features to improve spatial reasoning and computational efficiency, and the Depth Position Mapping (DPM) module, which embeds depth positional information directly into the detection process to enable accurate object localization and 3D bounding box regression. Leveraging the DepthFusion Transformer architecture, AuxDepthNet globally integrates visual and depth-sensitive features through depth-guided interactions, ensuring robust and efficient detection. Extensive experiments on the KITTI dataset show that AuxDepthNet achieves state-of-the-art performance, with $\text{AP}_{3D}$ scores of 24.72\% (Easy), 18.63\% (Moderate), and 15.31\% (Hard), and $\text{AP}_{\text{BEV}}$ scores of 34.11\% (Easy), 25.18\% (Moderate), and 21.90\% (Hard) at an IoU threshold of 0.7.

Visual-textual inconsistency (VTI) evaluation plays a crucial role in cleansing vision-language data. Its main challenges stem from the high variety of image captioning datasets, where differences in content can create a range of inconsistencies (\eg, inconsistencies in scene, entities, entity attributes, entity numbers, entity interactions). Moreover, variations in caption length can introduce inconsistencies at different levels of granularity as well. To tackle these challenges, we design an adaptive evaluation framework, called Hierarchical and Multi-Grained Inconsistency Evaluation (HMGIE), which can provide multi-grained evaluations covering both accuracy and completeness for various image-caption pairs. Specifically, the HMGIE framework is implemented by three consecutive modules. Firstly, the semantic graph generation module converts the image caption to a semantic graph for building a structural representation of all involved semantic items. Then, the hierarchical inconsistency evaluation module provides a progressive evaluation procedure with a dynamic question-answer generation and evaluation strategy guided by the semantic graph, producing a hierarchical inconsistency evaluation graph (HIEG). Finally, the quantitative evaluation module calculates the accuracy and completeness scores based on the HIEG, followed by a natural language explanation about the detection results. Moreover, to verify the efficacy and flexibility of the proposed framework on handling different image captioning datasets, we construct MVTID, an image-caption dataset with diverse types and granularities of inconsistencies. Extensive experiments on MVTID and other benchmark datasets demonstrate the superior performance of the proposed HMGIE to current state-of-the-art methods.

Early infancy is a rapid and dynamic neurodevelopmental period for behavior and neurocognition. Longitudinal magnetic resonance imaging (MRI) is an effective tool to investigate such a crucial stage by capturing the developmental trajectories of the brain structures. However, longitudinal MRI acquisition always meets a serious data-missing problem due to participant dropout and failed scans, making longitudinal infant brain atlas construction and developmental trajectory delineation quite challenging. Thanks to the development of an AI-based generative model, neuroimage completion has become a powerful technique to retain as much available data as possible. However, current image completion methods usually suffer from inconsistency within each individual subject in the time dimension, compromising the overall quality. To solve this problem, our paper proposed a two-stage cascaded diffusion model, Cas-DiffCom, for dense and longitudinal 3D infant brain MRI completion and super-resolution. We applied our proposed method to the Baby Connectome Project (BCP) dataset. The experiment results validate that Cas-DiffCom achieves both individual consistency and high fidelity in longitudinal infant brain image completion. We further applied the generated infant brain images to two downstream tasks, brain tissue segmentation and developmental trajectory delineation, to declare its task-oriented potential in the neuroscience field.

Adversarial machine learning (AML) studies the adversarial phenomenon of machine learning, which may make inconsistent or unexpected predictions with humans. Some paradigms have been recently developed to explore this adversarial phenomenon occurring at different stages of a machine learning system, such as backdoor attack occurring at the pre-training, in-training and inference stage; weight attack occurring at the post-training, deployment and inference stage; adversarial attack occurring at the inference stage. However, although these adversarial paradigms share a common goal, their developments are almost independent, and there is still no big picture of AML. In this work, we aim to provide a unified perspective to the AML community to systematically review the overall progress of this field. We firstly provide a general definition about AML, and then propose a unified mathematical framework to covering existing attack paradigms. According to the proposed unified framework, we build a full taxonomy to systematically categorize and review existing representative methods for each paradigm. Besides, using this unified framework, it is easy to figure out the connections and differences among different attack paradigms, which may inspire future researchers to develop more advanced attack paradigms. Finally, to facilitate the viewing of the built taxonomy and the related literature in adversarial machine learning, we further provide a website, \ie, \url{http://adversarial-ml.com}, where the taxonomies and literature will be continuously updated.

The permutation flow shop scheduling (PFSS), aiming at finding the optimal permutation of jobs, is widely used in manufacturing systems. When solving large-scale PFSS problems, traditional optimization algorithms such as heuristics could hardly meet the demands of both solution accuracy and computational efficiency, thus learning-based methods have recently garnered more attention. Some work attempts to solve the problems by reinforcement learning methods, which suffer from slow convergence issues during training and are still not accurate enough regarding the solutions. To that end, we propose to train the model via expert-driven imitation learning, which accelerates convergence more stably and accurately. Moreover, in order to extract better feature representations of input jobs, we incorporate the graph structure as the encoder. The extensive experiments reveal that our proposed model obtains significant promotion and presents excellent generalizability in large-scale problems with up to 1000 jobs. Compared to the state-of-the-art reinforcement learning method, our model's network parameters are reduced to only 37\% of theirs, and the solution gap of our model towards the expert solutions decreases from 6.8\% to 1.3\% on average. The code is available at: \url{https://github.com/longkangli/PFSS-IL}.

Adversarial phenomenon has been widely observed in machine learning (ML) systems, especially in those using deep neural networks, describing that ML systems may produce inconsistent and incomprehensible predictions with humans at some particular cases. This phenomenon poses a serious security threat to the practical application of ML systems, and several advanced attack paradigms have been developed to explore it, mainly including backdoor attacks, weight attacks, and adversarial examples. For each individual attack paradigm, various defense paradigms have been developed to improve the model robustness against the corresponding attack paradigm. However, due to the independence and diversity of these defense paradigms, it is difficult to examine the overall robustness of an ML system against different kinds of attacks.This survey aims to build a systematic review of all existing defense paradigms from a unified perspective. Specifically, from the life-cycle perspective, we factorize a complete machine learning system into five stages, including pre-training, training, post-training, deployment, and inference stages, respectively. Then, we present a clear taxonomy to categorize and review representative defense methods at each individual stage. The unified perspective and presented taxonomies not only facilitate the analysis of the mechanism of each defense paradigm but also help us to understand connections and differences among different defense paradigms, which may inspire future research to develop more advanced, comprehensive defenses.

The role of data in building AI systems has recently been emphasized by the emerging concept of data-centric AI. Unfortunately, in the real-world, datasets may contain dirty samples, such as poisoned samples from backdoor attack, noisy labels in crowdsourcing, and even hybrids of them. The presence of such dirty samples makes the DNNs vunerable and unreliable.Hence, it is critical to detect dirty samples to improve the quality and realiability of dataset. Existing detectors only focus on detecting poisoned samples or noisy labels, that are often prone to weak generalization when dealing with dirty samples from other domains.In this paper, we find a commonality of various dirty samples is visual-linguistic inconsistency between images and associated labels. To capture the semantic inconsistency between modalities, we propose versatile data cleanser (VDC) leveraging the surpassing capabilities of multimodal large language models (MLLM) in cross-modal alignment and reasoning.It consists of three consecutive modules: the visual question generation module to generate insightful questions about the image; the visual question answering module to acquire the semantics of the visual content by answering the questions with MLLM; followed by the visual answer evaluation module to evaluate the inconsistency.Extensive experiments demonstrate its superior performance and generalization to various categories and types of dirty samples.

Large language models (LLMs), such as ChatGPT, have demonstrated outstanding performance in various fields, particularly in natural language understanding and generation tasks. In complex application scenarios, users tend to engage in multi-turn conversations with ChatGPT to keep contextual information and obtain comprehensive responses. However, human forgetting and model contextual forgetting remain prominent issues in multi-turn conversation scenarios, which challenge the users' conversation comprehension and contextual continuity for ChatGPT. To address these challenges, we propose an interactive conversation visualization system called C5, which includes Global View, Topic View, and Context-associated Q\&A View. The Global View uses the GitLog diagram metaphor to represent the conversation structure, presenting the trend of conversation evolution and supporting the exploration of locally salient features. The Topic View is designed to display all the question and answer nodes and their relationships within a topic using the structure of a knowledge graph, thereby display the relevance and evolution of conversations. The Context-associated Q\&A View consists of three linked views, which allow users to explore individual conversations deeply while providing specific contextual information when posing questions. The usefulness and effectiveness of C5 were evaluated through a case study and a user study.