OpenRaiser/Intern-Atlas huggingface dataset:
Evaluation Framework for AI-driven Molecular Design of Multi-target Drugs: Brain Diseases as a Case Study
Venue: arXiv cs.NE 2024
Year: 2024

The widespread application of Artificial Intelligence (AI) techniques has significantly influenced the development of new therapeutic agents. These computational methods can be used to design and predict the properties of generated molecules. Multi-target Drug Discovery (MTDD) is an emerging paradigm for discovering drugs against complex disorders that do not respond well to more traditional target-specific treatments, such as central nervous system, immune system, and cardiovascular diseases. Still, there is yet to be an established benchmark suite for assessing the effectiveness of AI tools for designing multi-target compounds. Standardized benchmarks allow for comparing existing techniques and promote rapid research progress. Hence, this work proposes an evaluation framework for molecule generation techniques in MTDD scenarios, considering brain diseases as a case study. Our methodology involves using large language models to select the appropriate molecular targets, gathering and preprocessing the bioassay datasets, training quantitative structure-activity relationship models to predict target modulation, and assessing other essential drug-likeness properties for implementing the benchmarks. Additionally, this work will assess the performance of four deep generative models and evolutionary algorithms over our benchmark suite. In our findings, both evolutionary algorithms and generative models can achieve competitive results across the proposed benchmarks.
Clustering by Mining Density Distributions and Splitting Manifold Structure
Venue: arXiv cs.LG 2024
Year: 2024

Spectral clustering requires the time-consuming decomposition of the Laplacian matrix of the similarity graph, thus limiting its applicability to large datasets. To improve the efficiency of spectral clustering, a top-down approach was recently proposed, which first divides the data into several micro-clusters (granular-balls), then splits these micro-clusters when they are not ``compact'', and finally uses these micro-clusters as nodes to construct a similarity graph for more efficient spectral clustering. However, this top-down approach is challenging to adapt to unevenly distributed or structurally complex data. This is because constructing micro-clusters as a rough ball struggles to capture the shape and structure of data in a local range, and the simplistic splitting rule that solely targets ``compactness'' is susceptible to noise and variations in data density and leads to micro-clusters with varying shapes, making it challenging to accurately measure the similarity between them. To resolve these issues and improve spectral clustering, this paper first proposes to start from local structures to obtain micro-clusters, such that the complex structural information inside local neighborhoods is well captured by them. Moreover, by noting that Euclidean distance is more suitable for convex sets, this paper further proposes a data splitting rule that couples local density and data manifold structures, so that the similarities of the obtained micro-clusters can be easily characterized. A novel similarity measure between micro-clusters is then proposed for the final spectral clustering. A series of experiments based on synthetic and real-world datasets demonstrate that the proposed method has better adaptability to structurally complex data than granular-ball based methods.
ProgramAlly: Creating Custom Visual Access Programs via Multi-Modal End-User Programming
Venue: arXiv cs.HC 2024
Year: 2024

Existing visual assistive technologies are built for simple and common use cases, and have few avenues for blind people to customize their functionalities. Drawing from prior work on DIY assistive technology, this paper investigates end-user programming as a means for users to create and customize visual access programs to meet their unique needs. We introduce ProgramAlly, a system for creating custom filters for visual information, e.g., 'find NUMBER on BUS', leveraging three end-user programming approaches: block programming, natural language, and programming by example. To implement ProgramAlly, we designed a representation of visual filtering tasks based on scenarios encountered by blind people, and integrated a set of on-device and cloud models for generating and running these programs. In user studies with 12 blind adults, we found that participants preferred different programming modalities depending on the task, and envisioned using visual access programs to address unique accessibility challenges that are otherwise difficult with existing applications. Through ProgramAlly, we present an exploration of how blind end-users can create visual access programs to customize and control their experiences.
BAUST Lipi: A BdSL Dataset with Deep Learning Based Bangla Sign Language Recognition
Venue: arXiv cs.CV 2024
Year: 2024

People commonly communicate in English, Arabic, and Bengali spoken languages through various mediums. However, deaf and hard-of-hearing individuals primarily use body language and sign language to express their needs and achieve independence. Sign language research is burgeoning to enhance communication with the deaf community. While many researchers have made strides in recognizing sign languages such as French, British, Arabic, Turkish, and American, there has been limited research on Bangla sign language (BdSL) with less-than-satisfactory results. One significant barrier has been the lack of a comprehensive Bangla sign language dataset. In our work, we introduced a new BdSL dataset comprising alphabets totaling 18,000 images, with each image being 224x224 pixels in size. Our dataset encompasses 36 Bengali symbols, of which 30 are consonants and the remaining six are vowels. Despite our dataset contribution, many existing systems continue to grapple with achieving high-performance accuracy for BdSL. To address this, we devised a hybrid Convolutional Neural Network (CNN) model, integrating multiple convolutional layers, activation functions, dropout techniques, and LSTM layers. Upon evaluating our hybrid-CNN model with the newly created BdSL dataset, we achieved an accuracy rate of 97.92\%. We are confident that both our BdSL dataset and hybrid CNN model will be recognized as significant milestones in BdSL research.
Synergistic Approach for Simultaneous Optimization of Monolingual, Cross-lingual, and Multilingual Information Retrieval
Venue: arXiv cs.IR 2024
Year: 2024

Information retrieval across different languages is an increasingly important challenge in natural language processing. Recent approaches based on multilingual pre-trained language models have achieved remarkable success, yet they often optimize for either monolingual, cross-lingual, or multilingual retrieval performance at the expense of others. This paper proposes a novel hybrid batch training strategy to simultaneously improve zero-shot retrieval performance across monolingual, cross-lingual, and multilingual settings while mitigating language bias. The approach fine-tunes multilingual language models using a mix of monolingual and cross-lingual question-answer pair batches sampled based on dataset size. Experiments on XQuAD-R, MLQA-R, and MIRACL benchmark datasets show that the proposed method consistently achieves comparable or superior results in zero-shot retrieval across various languages and retrieval tasks compared to monolingual-only or cross-lingual-only training. Hybrid batch training also substantially reduces language bias in multilingual retrieval compared to monolingual training. These results demonstrate the effectiveness of the proposed approach for learning language-agnostic representations that enable strong zero-shot retrieval performance across diverse languages.
Language Modeling on Tabular Data: A Survey of Foundations, Techniques and Evolution
Venue: arXiv cs.CL 2024
Year: 2024

Tabular data, a prevalent data type across various domains, presents unique challenges due to its heterogeneous nature and complex structural relationships. Achieving high predictive performance and robustness in tabular data analysis holds significant promise for numerous applications. Influenced by recent advancements in natural language processing, particularly transformer architectures, new methods for tabular data modeling have emerged. Early techniques concentrated on pre-training transformers from scratch, often encountering scalability issues. Subsequently, methods leveraging pre-trained language models like BERT have been developed, which require less data and yield enhanced performance. The recent advent of large language models, such as GPT and LLaMA, has further revolutionized the field, facilitating more advanced and diverse applications with minimal fine-tuning. Despite the growing interest, a comprehensive survey of language modeling techniques for tabular data remains absent. This paper fills this gap by providing a systematic review of the development of language modeling for tabular data, encompassing: (1) a categorization of different tabular data structures and data types; (2) a review of key datasets used in model training and tasks used for evaluation; (3) a summary of modeling techniques including widely-adopted data processing methods, popular architectures, and training objectives; (4) the evolution from adapting traditional Pre-training/Pre-trained language models to the utilization of large language models; (5) an identification of persistent challenges and potential future research directions in language modeling for tabular data analysis. GitHub page associated with this survey is available at: https://github.com/lanxiang1017/Language-Modeling-on-Tabular-Data-Survey.git.
MV-MOS: Multi-View Feature Fusion for 3D Moving Object Segmentation
Venue: arXiv cs.CV 2024
Year: 2024

Effectively summarizing dense 3D point cloud data and extracting motion information of moving objects (moving object segmentation, MOS) is crucial to autonomous driving and robotics applications. How to effectively utilize motion and semantic features and avoid information loss during 3D-to-2D projection is still a key challenge. In this paper, we propose a novel multi-view MOS model (MV-MOS) by fusing motion-semantic features from different 2D representations of point clouds. To effectively exploit complementary information, the motion branches of the proposed model combines motion features from both bird's eye view (BEV) and range view (RV) representations. In addition, a semantic branch is introduced to provide supplementary semantic features of moving objects. Finally, a Mamba module is utilized to fuse the semantic features with motion features and provide effective guidance for the motion branches. We validated the effectiveness of the proposed multi-branch fusion MOS framework via comprehensive experiments, and our proposed model outperforms existing state-of-the-art models on the SemanticKITTI benchmark.
Promoting Equality in Large Language Models: Identifying and Mitigating the Implicit Bias based on Bayesian Theory
Venue: arXiv cs.CL 2024
Year: 2024

Large language models (LLMs) are trained on extensive text corpora, which inevitably include biased information. Although techniques such as Affective Alignment can mitigate some negative impacts of these biases, existing prompt-based attack methods can still extract these biases from the model's weights. Moreover, these biases frequently appear subtly when LLMs are prompted to perform identical tasks across different demographic groups, thereby camouflaging their presence. To address this issue, we have formally defined the implicit bias problem and developed an innovative framework for bias removal based on Bayesian theory, Bayesian-Theory based Bias Removal (BTBR). BTBR employs likelihood ratio screening to pinpoint data entries within publicly accessible biased datasets that represent biases inadvertently incorporated during the LLM training phase. It then automatically constructs relevant knowledge triples and expunges bias information from LLMs using model editing techniques. Through extensive experimentation, we have confirmed the presence of the implicit bias problem in LLMs and demonstrated the effectiveness of our BTBR approach.
OMEGA: Efficient Occlusion-Aware Navigation for Air-Ground Robot in Dynamic Environments via State Space Model
Venue: arXiv cs.RO 2024
Year: 2024

Air-ground robots (AGRs) are widely used in surveillance and disaster response due to their exceptional mobility and versatility (i.e., flying and driving). Current AGR navigation systems perform well in static occlusion-prone environments (e.g., indoors) by using 3D semantic occupancy networks to predict occlusions for complete local mapping and then computing Euclidean Signed Distance Field (ESDF) for path planning. However, these systems face challenges in dynamic, severe occlusion scenes (e.g., crowds) due to limitations in perception networks' low prediction accuracy and path planners' high computation overhead. In this paper, we propose OMEGA, which contains OccMamba with an Efficient AGR-Planner to address the above-mentioned problems. OccMamba adopts a novel architecture that separates semantic and occupancy prediction into independent branches, incorporating two mamba blocks within these branches. These blocks efficiently extract semantic and geometric features in 3D environments with linear complexity, ensuring that the network can learn long-distance dependencies to improve prediction accuracy. Semantic and geometric features are combined within the Bird's Eye View (BEV) space to minimise computational overhead during feature fusion. The resulting semantic occupancy map is then seamlessly integrated into the local map, providing occlusion awareness of the dynamic environment. Our AGR-Planner utilizes this local map and employs kinodynamic A* search and gradient-based trajectory optimization to guarantee planning is ESDF-free and energy-efficient. Extensive experiments demonstrate that OccMamba outperforms the state-of-the-art 3D semantic occupancy network with 25.0% mIoU. End-to-end navigation experiments in dynamic scenes verify OMEGA's efficiency, achieving a 96% average planning success rate. Code and video are available at https://jmwang0117.github.io/OMEGA/.
Industry Perception of Security Challenges with Identity Access Management Solutions
Venue: arXiv cs.CR 2024
Year: 2024

Identity Access Management (IAM) is an area posing significant challenges, particularly in the context of remote connectivity and distributed or cloud-based systems. A wide range of technical solutions have been proposed by prior research, but the integration of these solutions in the commercial sector represent steps that significantly hamper their acceptance. The study aims to outline the current perception and security issues associated with IAMs solutions from the perspective of the beneficiaries. The analysis relies on a series of interviews with 45 cyber security professionals from different organisations all over the world. As results showed, cloud IAM solutions and on premises IAM solutions are affected by different issues. The main challenges for cloud based IAM solutions were Default configurations, Poor management of Non-Human Identities such as Service accounts, Poor certificate management, Poor API configuration and limited Log analysis. In contrast, the challenges for on premise solutions were Multi Factor Authentication, insecure Default configurations, Lack of skillsets required to manage IAM solution securely, Poor password policies, Unpatched vulnerabilities, and compromise of Single-Sign on leading to compromise of multiple entities. The study also determined that, regardless the evolving functionality of cloud based IAM solutions, 41% of respondents believe that the on premise solutions more secure than the cloud-based ones. As pointed out by the respondents, cloud IAM may potentially expose organisations to a wider range of vulnerabilities due to the complexity of the underlying solutions, challenges with managing permissions, and compliance to dynamic IAM policies.
Smart Contract Coordinated Privacy Preserving Crowd-Sensing Campaigns
Venue: arXiv cs.CR 2024
Year: 2024

Crowd-sensing has emerged as a powerful data retrieval model, enabling diverse applications by leveraging active user participation. However, data availability and privacy concerns pose significant challenges. Traditional methods like data encryption and anonymization, while essential, may not fully address these issues. For instance, in sparsely populated areas, anonymized data can still be traced back to individual users. Additionally, the volume of data generated by users can reveal their identities. To develop credible crowd-sensing systems, data must be anonymized, aggregated and separated into uniformly sized chunks. Furthermore, decentralizing the data management process, rather than relying on a single server, can enhance security and trust. This paper proposes a system utilizing smart contracts and blockchain technologies to manage crowd-sensing campaigns. The smart contract handles user subscriptions, data encryption, and decentralized storage, creating a secure data marketplace. Incentive policies within the smart contract encourage user participation and data diversity. Simulation results confirm the system's viability, highlighting the importance of user participation for data credibility and the impact of geographical data scarcity on rewards. This approach aims to balance data origin and reduce cheating risks.
UIE-UnFold: Deep Unfolding Network with Color Priors and Vision Transformer for Underwater Image Enhancement
Venue: arXiv cs.CV 2024
Year: 2024

Underwater image enhancement (UIE) plays a crucial role in various marine applications, but it remains challenging due to the complex underwater environment. Current learning-based approaches frequently lack explicit incorporation of prior knowledge about the physical processes involved in underwater image formation, resulting in limited optimization despite their impressive enhancement results. This paper proposes a novel deep unfolding network (DUN) for UIE that integrates color priors and inter-stage feature transformation to improve enhancement performance. The proposed DUN model combines the iterative optimization and reliability of model-based methods with the flexibility and representational power of deep learning, offering a more explainable and stable solution compared to existing learning-based UIE approaches. The proposed model consists of three key components: a Color Prior Guidance Block (CPGB) that establishes a mapping between color channels of degraded and original images, a Nonlinear Activation Gradient Descent Module (NAGDM) that simulates the underwater image degradation process, and an Inter Stage Feature Transformer (ISF-Former) that facilitates feature exchange between different network stages. By explicitly incorporating color priors and modeling the physical characteristics of underwater image formation, the proposed DUN model achieves more accurate and reliable enhancement results. Extensive experiments on multiple underwater image datasets demonstrate the superiority of the proposed model over state-of-the-art methods in both quantitative and qualitative evaluations. The proposed DUN-based approach offers a promising solution for UIE, enabling more accurate and reliable scientific analysis in marine research. The code is available at https://github.com/CXH-Research/UIE-UnFold.
Learning Instruction-Guided Manipulation Affordance via Large Models for Embodied Robotic Tasks
Venue: arXiv cs.RO 2024
Year: 2024

We study the task of language instruction-guided robotic manipulation, in which an embodied robot is supposed to manipulate the target objects based on the language instructions. In previous studies, the predicted manipulation regions of the target object typically do not change with specification from the language instructions, which means that the language perception and manipulation prediction are separate. However, in human behavioral patterns, the manipulation regions of the same object will change for different language instructions. In this paper, we propose Instruction-Guided Affordance Net (IGANet) for predicting affordance maps of instruction-guided robotic manipulation tasks by utilizing powerful priors from vision and language encoders pre-trained on large-scale datasets. We develop a Vison-Language-Models(VLMs)-based data augmentation pipeline, which can generate a large amount of data automatically for model training. Besides, with the help of Large-Language-Models(LLMs), actions can be effectively executed to finish the tasks defined by instructions. A series of real-world experiments revealed that our method can achieve better performance with generated data. Moreover, our model can generalize better to scenarios with unseen objects and language instructions.
Probing the Safety Response Boundary of Large Language Models via Unsafe Decoding Path Generation
Venue: arXiv cs.CR 2024
Year: 2024

Large Language Models (LLMs) are implicit troublemakers. While they provide valuable insights and assist in problem-solving, they can also potentially serve as a resource for malicious activities. Implementing safety alignment could mitigate the risk of LLMs generating harmful responses. We argue that: even when an LLM appears to successfully block harmful queries, there may still be hidden vulnerabilities that could act as ticking time bombs. To identify these underlying weaknesses, we propose to use a cost value model as both a detector and an attacker. Trained on external or self-generated harmful datasets, the cost value model could successfully influence the original safe LLM to output toxic content in decoding process. For instance, LLaMA-2-chat 7B outputs 39.18% concrete toxic content, along with only 22.16% refusals without any harmful suffixes. These potential weaknesses can then be exploited via prompt optimization such as soft prompts on images. We name this decoding strategy: Jailbreak Value Decoding (JVD), emphasizing that seemingly secure LLMs may not be as safe as we initially believe. They could be used to gather harmful data or launch covert attacks.
Representation Norm Amplification for Out-of-Distribution Detection in Long-Tail Learning
Venue: arXiv cs.LG 2024
Year: 2024

Detecting out-of-distribution (OOD) samples is a critical task for reliable machine learning. However, it becomes particularly challenging when the models are trained on long-tailed datasets, as the models often struggle to distinguish tail-class in-distribution samples from OOD samples. We examine the main challenges in this problem by identifying the trade-offs between OOD detection and in-distribution (ID) classification, faced by existing methods. We then introduce our method, called \textit{Representation Norm Amplification} (RNA), which solves this challenge by decoupling the two problems. The main idea is to use the norm of the representation as a new dimension for OOD detection, and to develop a training method that generates a noticeable discrepancy in the representation norm between ID and OOD data, while not perturbing the feature learning for ID classification. Our experiments show that RNA achieves superior performance in both OOD detection and classification compared to the state-of-the-art methods, by 1.70\% and 9.46\% in FPR95 and 2.43\% and 6.87\% in classification accuracy on CIFAR10-LT and ImageNet-LT, respectively. The code for this work is available at https://github.com/dgshin21/RNA.