Generative large language models are crucial in natural language processing, but they are vulnerable to backdoor attacks, where subtle triggers compromise their behavior. Although backdoor attacks against LLMs are constantly emerging, existing benchmarks remain limited in terms of sufficient coverage of attack, metric system integrity, backdoor attack alignment. And existing pre-trained backdoor attacks are idealized in practice due to resource access constraints. Therefore we establish $\textit{ELBA-Bench}$, a comprehensive and unified framework that allows attackers to inject backdoor through parameter efficient fine-tuning ($\textit{e.g.,}$ LoRA) or without fine-tuning techniques ($\textit{e.g.,}$ In-context-learning). $\textit{ELBA-Bench}$ provides over 1300 experiments encompassing the implementations of 12 attack methods, 18 datasets, and 12 LLMs. Extensive experiments provide new invaluable findings into the strengths and limitations of various attack strategies. For instance, PEFT attack consistently outperform without fine-tuning approaches in classification tasks while showing strong cross-dataset generalization with optimized triggers boosting robustness; Task-relevant backdoor optimization techniques or attack prompts along with clean and adversarial demonstrations can enhance backdoor attack success while preserving model performance on clean samples. Additionally, we introduce a universal toolbox designed for standardized backdoor attack research, with the goal of propelling further progress in this vital area.

Due to their excellent drug-like and pharmacokinetic properties, small molecule drugs are widely used to treat various diseases, making them a critical component of drug discovery. In recent years, with the rapid development of deep learning (DL) techniques, DL-based small molecule drug discovery methods have achieved excellent performance in prediction accuracy, speed, and complex molecular relationship modeling compared to traditional machine learning approaches. These advancements enhance drug screening efficiency and optimization, and they provide more precise and effective solutions for various drug discovery tasks. Contributing to this field's development, this paper aims to systematically summarize and generalize the recent key tasks and representative techniques in DL-based small molecule drug discovery in recent years. Specifically, we provide an overview of the major tasks in small molecule drug discovery and their interrelationships. Next, we analyze the six core tasks, summarizing the related methods, commonly used datasets, and technological development trends. Finally, we discuss key challenges, such as interpretability and out-of-distribution generalization, and offer our insights into future research directions for DL-assisted small molecule drug discovery.

Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through transformations such as adding, deleting, and modifying atoms and chemical bonds, reflecting specific evolutionary paths. Existing molecular representation methods mainly focus on mining data, such as atomic-level structures and chemical bonds directly from the molecules, often overlooking their evolutionary history. Consequently, we aim to explore the possibility of enhancing molecular representations by simulating the evolutionary process. We extract and analyze the changes in the evolutionary pathway and explore combining it with existing molecular representations. Therefore, this paper proposes the molecular evolutionary network (MEvoN) for molecular representations. First, we construct the MEvoN using molecules with a small number of atoms and generate evolutionary paths utilizing similarity calculations. Then, by modeling the atomic-level changes, MEvoN reveals their impact on molecular properties. Experimental results show that the MEvoN-based molecular property prediction method significantly improves the performance of traditional end-to-end algorithms on several molecular datasets. The code is available at https://anonymous.4open.science/r/MEvoN-7416/.

Graph contrastive learning (GCL) is a popular method for leaning graph representations by maximizing the consistency of features across augmented views. Traditional GCL methods utilize single-perspective i.e. data or model-perspective) augmentation to generate positive samples, restraining the diversity of positive samples. In addition, these positive samples may be unreliable due to uncontrollable augmentation strategies that potentially alter the semantic information. To address these challenges, this paper proposed a innovative framework termed dual-perspective cross graph contrastive learning (DC-GCL), which incorporates three modifications designed to enhance positive sample diversity and reliability: 1) We propose dual-perspective augmentation strategy that provide the model with more diverse training data, enabling the model effective learning of feature consistency across different views. 2) From the data perspective, we slightly perturb the original graphs using controllable data augmentation, effectively preserving their semantic information. 3) From the model perspective, we enhance the encoder by utilizing more powerful graph transformers instead of graph neural networks. Based on the model's architecture, we propose three pruning-based strategies to slightly perturb the encoder, providing more reliable positive samples. These modifications collectively form the DC-GCL's foundation and provide more diverse and reliable training inputs, offering significant improvements over traditional GCL methods. Extensive experiments on various benchmarks demonstrate that DC-GCL consistently outperforms different baselines on various datasets and tasks.

Chain-of-thought (CoT) reasoning has exhibited impressive performance in language models for solving complex tasks and answering questions. However, many real-world questions require multi-modal information, such as text and images. Previous research on multi-modal CoT has primarily focused on extracting fixed image features from off-the-shelf vision models and then fusing them with text using attention mechanisms. This approach has limitations because these vision models were not designed for complex reasoning tasks and do not align well with language thoughts. To overcome this limitation, we introduce a novel approach for multi-modal CoT reasoning that utilizes latent space learning via diffusion processes to generate effective image features that align with language thoughts. Our method fuses image features and text representations at a deep level and improves the complex reasoning ability of multi-modal CoT. We demonstrate the efficacy of our proposed method on multi-modal ScienceQA and machine translation benchmarks, achieving state-of-the-art performance on ScienceQA. Overall, our approach offers a more robust and effective solution for multi-modal reasoning in language models, enhancing their ability to tackle complex real-world problems.

Conventional deep learning methods typically employ supervised learning for drug response prediction (DRP). This entails dependence on labeled response data from drugs for model training. However, practical applications in the preclinical drug screening phase demand that DRP models predict responses for novel compounds, often with unknown drug responses. This presents a challenge, rendering supervised deep learning methods unsuitable for such scenarios. In this paper, we propose a zero-shot learning solution for the DRP task in preclinical drug screening. Specifically, we propose a Multi-branch Multi-Source Domain Adaptation Test Enhancement Plug-in, called MSDA. MSDA can be seamlessly integrated with conventional DRP methods, learning invariant features from the prior response data of similar drugs to enhance real-time predictions of unlabeled compounds. We conducted experiments using the GDSCv2 and CellMiner datasets. The results demonstrate that MSDA efficiently predicts drug responses for novel compounds, leading to a general performance improvement of 5-10\% in the preclinical drug screening phase. The significance of this solution resides in its potential to accelerate the drug discovery process, improve drug candidate assessment, and facilitate the success of drug discovery.

In recent years, the use of multi-modal pre-trained Transformers has led to significant advancements in visually-rich document understanding. However, existing models have mainly focused on features such as text and vision while neglecting the importance of layout relationship between text nodes. In this paper, we propose GraphLayoutLM, a novel document understanding model that leverages the modeling of layout structure graph to inject document layout knowledge into the model. GraphLayoutLM utilizes a graph reordering algorithm to adjust the text sequence based on the graph structure. Additionally, our model uses a layout-aware multi-head self-attention layer to learn document layout knowledge. The proposed model enables the understanding of the spatial arrangement of text elements, improving document comprehension. We evaluate our model on various benchmarks, including FUNSD, XFUND and CORD, and achieve state-of-the-art results among these datasets. Our experimental results demonstrate that our proposed method provides a significant improvement over existing approaches and showcases the importance of incorporating layout information into document understanding models. We also conduct an ablation study to investigate the contribution of each component of our model. The results show that both the graph reordering algorithm and the layout-aware multi-head self-attention layer play a crucial role in achieving the best performance.