Alzheimer's Disease Neuroimaging Initiative, the Australian Imaging Biomarkers and Lifestyle flagship study of ageing
Abstract:A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predicted to have highly desirable properties are often difficult to synthesize, while those that are easily synthesizable tend to exhibit less favorable properties. As a result, evaluating the synthesizability of molecules in general drug design scenarios remains a significant challenge in the field of drug discovery. The commonly used synthetic accessibility (SA) score aims to evaluate the ease of synthesizing generated molecules, but it falls short of guaranteeing that synthetic routes can actually be found. Inspired by recent advances in top-down synthetic route generation, we propose a new, data-driven metric to evaluate molecule synthesizability. Our approach directly assesses the feasibility of synthetic routes for a given molecule through our proposed round-trip score. This novel metric leverages the synergistic duality between retrosynthetic planners and reaction predictors, both of which are trained on extensive reaction datasets. To demonstrate the efficacy of our method, we conduct a comprehensive evaluation of round-trip scores alongside search success rate across a range of representative molecule generative models. Code is available at https://github.com/SongtaoLiu0823/SDDBench.
Abstract:The prevalent use of Byte Pair Encoding (BPE) in Large Language Models (LLMs) facilitates robust handling of subword units and avoids issues of out-of-vocabulary words. Despite its success, a critical challenge persists: long tokens, rich in semantic information, have fewer occurrences in tokenized datasets compared to short tokens, which can result in imbalanced learning issue across different tokens. To address that, we propose LBPE, which prioritizes long tokens during the encoding process. LBPE generates tokens according to their reverse ranks of token length rather than their ranks in the vocabulary, granting longer tokens higher priority during the encoding process. Consequently, LBPE smooths the frequency differences between short and long tokens, and thus mitigates the learning imbalance. Extensive experiments across diverse language modeling tasks demonstrate that LBPE consistently outperforms the original BPE, well demonstrating its effectiveness.
Abstract:In practical applications, the unpredictable movement of obstacles and the imprecise state observation of robots introduce significant uncertainties for the swarm of robots, especially in cluster environments. However, existing methods are difficult to realize safe navigation, considering uncertainties, complex environmental structures, and robot swarms. This paper introduces an extended state model predictive control planner with a safe probability field to address the multi-robot navigation problem in complex, dynamic, and uncertain environments. Initially, the safe probability field offers an innovative approach to model the uncertainty of external dynamic obstacles, combining it with an unconstrained optimization method to generate safe trajectories for multi-robot online. Subsequently, the extended state model predictive controller can accurately track these generated trajectories while considering the robots' inherent model constraints and state uncertainty, thus ensuring the practical feasibility of the planned trajectories. Simulation experiments show a success rate four times higher than that of state-of-the-art algorithms. Physical experiments demonstrate the method's ability to operate in real-time, enabling safe navigation for multi-robot in uncertain environments.
Abstract:With the rapid advancement of Natural Language Processing in recent years, numerous studies have shown that generic summaries generated by Large Language Models (LLMs) can sometimes surpass those annotated by experts, such as journalists, according to human evaluations. However, there is limited research on whether these generic summaries meet the individual needs of ordinary people. The biggest obstacle is the lack of human-annotated datasets from the general public. Existing work on personalized summarization often relies on pseudo datasets created from generic summarization datasets or controllable tasks that focus on specific named entities or other aspects, such as the length and specificity of generated summaries, collected from hypothetical tasks without the annotators' initiative. To bridge this gap, we propose a high-quality, personalized, manually annotated abstractive summarization dataset called PersonalSum. This dataset is the first to investigate whether the focus of public readers differs from the generic summaries generated by LLMs. It includes user profiles, personalized summaries accompanied by source sentences from given articles, and machine-generated generic summaries along with their sources. We investigate several personal signals - entities/topics, plot, and structure of articles - that may affect the generation of personalized summaries using LLMs in a few-shot in-context learning scenario. Our preliminary results and analysis indicate that entities/topics are merely one of the key factors that impact the diverse preferences of users, and personalized summarization remains a significant challenge for existing LLMs.
Abstract:Deep neural networks (DNNs) are powerful for cognitive tasks such as image classification, object detection, and scene segmentation. One drawback however is the significant high computational complexity and memory consumption, which makes them unfeasible to run real-time on embedded platforms because of the limited hardware resources. Block floating point (BFP) quantization is one of the representative compression approaches for reducing the memory and computational burden owing to their capability to effectively capture the broad data distribution of DNN models. Unfortunately, prior works on BFP-based quantization empirically choose the block size and the precision that preserve accuracy. In this paper, we develop a BFP-based bitwidth-aware analytical modeling framework (called ``BitQ'') for the best BFP implementation of DNN inference on embedded platforms. We formulate and resolve an optimization problem to identify the optimal BFP block size and bitwidth distribution by the trade-off of both accuracy and performance loss. Experimental results show that compared with an equal bitwidth setting, the BFP DNNs with optimized bitwidth allocation provide efficient computation, preserving accuracy on famous benchmarks. The source code and data are available at https://github.com/Cheliosoops/BitQ.
Abstract:As the last key stage of Recommender Systems (RSs), Multi-Task Fusion (MTF) is in charge of combining multiple scores predicted by Multi-Task Learning (MTL) into a final score to maximize user satisfaction, which decides the ultimate recommendation results. In recent years, to maximize long-term user satisfaction within a recommendation session, Reinforcement Learning (RL) is widely used for MTF in large-scale RSs. However, limited by their modeling pattern, all the current RL-MTF methods can only utilize user features as the state to generate actions for each user, but unable to make use of item features and other valuable features, which leads to suboptimal results. Addressing this problem is a challenge that requires breaking through the current modeling pattern of RL-MTF. To solve this problem, we propose a novel method called Enhanced-State RL for MTF in RSs. Unlike the existing methods mentioned above, our method first defines user features, item features, and other valuable features collectively as the enhanced state; then proposes a novel actor and critic learning process to utilize the enhanced state to make much better action for each user-item pair. To the best of our knowledge, this novel modeling pattern is being proposed for the first time in the field of RL-MTF. We conduct extensive offline and online experiments in a large-scale RS. The results demonstrate that our model outperforms other models significantly. Enhanced-State RL has been fully deployed in our RS more than half a year, improving +3.84% user valid consumption and +0.58% user duration time compared to baseline.
Abstract:The recent advances in large language models (LLMs) have significantly expanded their applications across various fields such as language generation, summarization, and complex question answering. However, their application to privacy compliance and technical privacy reviews remains under-explored, raising critical concerns about their ability to adhere to global privacy standards and protect sensitive user data. This paper seeks to address this gap by providing a comprehensive case study evaluating LLMs' performance in privacy-related tasks such as privacy information extraction (PIE), legal and regulatory key point detection (KPD), and question answering (QA) with respect to privacy policies and data protection regulations. We introduce a Privacy Technical Review (PTR) framework, highlighting its role in mitigating privacy risks during the software development life-cycle. Through an empirical assessment, we investigate the capacity of several prominent LLMs, including BERT, GPT-3.5, GPT-4, and custom models, in executing privacy compliance checks and technical privacy reviews. Our experiments benchmark the models across multiple dimensions, focusing on their precision, recall, and F1-scores in extracting privacy-sensitive information and detecting key regulatory compliance points. While LLMs show promise in automating privacy reviews and identifying regulatory discrepancies, significant gaps persist in their ability to fully comply with evolving legal standards. We provide actionable recommendations for enhancing LLMs' capabilities in privacy compliance, emphasizing the need for robust model improvements and better integration with legal and regulatory requirements. This study underscores the growing importance of developing privacy-aware LLMs that can both support businesses in compliance efforts and safeguard user privacy rights.
Abstract:When applying integrated sensing and communications (ISAC) in future mobile networks, many sensing tasks have low latency requirements, preferably being implemented at terminals. However, terminals often have limited computing capabilities and energy supply. In this paper, we investigate the effectiveness of leveraging the advanced computing capabilities of mobile edge computing (MEC) servers and the cloud server to address the sensing tasks of ISAC terminals. Specifically, we propose a novel three-tier integrated sensing, communication, and computing (ISCC) framework composed of one cloud server, multiple MEC servers, and multiple terminals, where the terminals can optionally offload sensing data to the MEC server or the cloud server. The offload message is sent via the ISAC waveform, whose echo is used for sensing. We jointly optimize the computation offloading and beamforming strategies to minimize the average execution latency while satisfying sensing requirements. In particular, we propose a low-complexity distributed algorithm to solve the problem. Firstly, we use the alternating direction method of multipliers (ADMM) and derive the closed-form solution for offloading decision variables. Subsequently, we convert the beamforming optimization sub-problem into a weighted minimum mean-square error (WMMSE) problem and propose a fractional programming based algorithm. Numerical results demonstrate that the proposed ISCC framework and distributed algorithm significantly reduce the execution latency and the energy consumption of sensing tasks at a lower computational complexity compared to existing schemes.
Abstract:Jailbreak attacks on Language Model Models (LLMs) entail crafting prompts aimed at exploiting the models to generate malicious content. This paper proposes a new type of jailbreak attacks which shift the attention of the LLM by inserting a prohibited query into a carrier article. The proposed attack leverage the knowledge graph and a composer LLM to automatically generating a carrier article that is similar to the topic of the prohibited query but does not violate LLM's safeguards. By inserting the malicious query to the carrier article, the assembled attack payload can successfully jailbreak LLM. To evaluate the effectiveness of our method, we leverage 4 popular categories of ``harmful behaviors'' adopted by related researches to attack 6 popular LLMs. Our experiment results show that the proposed attacking method can successfully jailbreak all the target LLMs which high success rate, except for Claude-3.
Abstract:Millimeter-wave (mmWave) communication is promising for next-generation wireless networks but suffers from significant path loss, requiring extensive antenna arrays and frequent beam training. Traditional deep learning models, such as long short-term memory (LSTM), enhance beam tracking accuracy however are limited by poor robustness and generalization. In this letter, we use large language models (LLMs) to improve the robustness of beam prediction. By converting time series data into text-based representations and employing the Prompt-as-Prefix (PaP) technique for contextual enrichment, our approach unleashes the strength of LLMs for time series forecasting. Simulation results demonstrate that our LLM-based method offers superior robustness and generalization compared to LSTM-based models, showcasing the potential of LLMs in wireless communications.