HardWare-aware Neural Architecture Search (HW-NAS) has recently gained tremendous attention by automating the design of DNNs deployed in more resource-constrained daily life devices. Despite its promising performance, developing optimal HW-NAS solutions can be prohibitively challenging as it requires cross-disciplinary knowledge in the algorithm, micro-architecture, and device-specific compilation. First, to determine the hardware-cost to be incorporated into the NAS process, existing works mostly adopt either pre-collected hardware-cost look-up tables or device-specific hardware-cost models. Both of them limit the development of HW-NAS innovations and impose a barrier-to-entry to non-hardware experts. Second, similar to generic NAS, it can be notoriously difficult to benchmark HW-NAS algorithms due to their significant required computational resources and the differences in adopted search spaces, hyperparameters, and hardware devices. To this end, we develop HW-NAS-Bench, the first public dataset for HW-NAS research which aims to democratize HW-NAS research to non-hardware experts and make HW-NAS research more reproducible and accessible. To design HW-NAS-Bench, we carefully collected the measured/estimated hardware performance of all the networks in the search spaces of both NAS-Bench-201 and FBNet, on six hardware devices that fall into three categories (i.e., commercial edge devices, FPGA, and ASIC). Furthermore, we provide a comprehensive analysis of the collected measurements in HW-NAS-Bench to provide insights for HW-NAS research. Finally, we demonstrate exemplary user cases to (1) show that HW-NAS-Bench allows non-hardware experts to perform HW-NAS by simply querying it and (2) verify that dedicated device-specific HW-NAS can indeed lead to optimal accuracy-cost trade-offs. The codes and all collected data are available at https://github.com/RICE-EIC/HW-NAS-Bench.

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs and continuous 3D coordinates. However, existing SBDD methods often overlook two key challenges: (1) the multi-modal nature of this task and (2) the causal relationship between these modalities, limiting their plausibility and performance. To address both challenges, we propose TransDiffSBDD, an integrated framework combining autoregressive transformers and diffusion models for SBDD. Specifically, the autoregressive transformer models discrete molecular information, while the diffusion model samples continuous distributions, effectively resolving the first challenge. To address the second challenge, we design a hybrid-modal sequence for protein-ligand complexes that explicitly respects the causality between modalities. Experiments on the CrossDocked2020 benchmark demonstrate that TransDiffSBDD outperforms existing baselines.

Deep neural network (DNN) models are increasingly popular in edge video analytic applications. However, the compute-intensive nature of DNN models pose challenges for energy-efficient inference on resource-constrained edge devices. Most existing solutions focus on optimizing DNN inference latency and accuracy, often overlooking energy efficiency. They also fail to account for the varying complexity of video frames, leading to sub-optimal performance in edge video analytics. In this paper, we propose an Energy-Efficient Early-Exit (E4) framework that enhances DNN inference efficiency for edge video analytics by integrating a novel early-exit mechanism with dynamic voltage and frequency scaling (DVFS) governors. It employs an attention-based cascade module to analyze video frame diversity and automatically determine optimal DNN exit points. Additionally, E4 features a just-in-time (JIT) profiler that uses coordinate descent search to co-optimize CPU and GPU clock frequencies for each layer before the DNN exit points. Extensive evaluations demonstrate that E4 outperforms current state-of-the-art methods, achieving up to 2.8x speedup and 26% average energy saving while maintaining high accuracy.

With the widespread application of Large Language Models across various domains, their security issues have increasingly garnered significant attention from both academic and industrial communities. This study conducts sampling and normalization of the parameters of the LLM to generate visual representations and heatmaps of parameter distributions, revealing notable discrepancies in parameter distributions among certain layers within the hidden layers. Further analysis involves calculating statistical metrics for each layer, followed by the computation of a Comprehensive Sensitivity Score based on these metrics, which identifies the lower layers as being particularly sensitive to the generation of harmful content. Based on this finding, we employ a Freeze training strategy, selectively performing Supervised Fine-Tuning only on the lower layers. Experimental results demonstrate that this method significantly reduces training duration and GPU memory consumption while maintaining a high jailbreak success rate and a high harm score, outperforming the results achieved by applying the LoRA method for SFT across all layers. Additionally, the method has been successfully extended to other open-source large models, validating its generality and effectiveness across different model architectures. Furthermore, we compare our method with ohter jailbreak method, demonstrating the superior performance of our approach. By innovatively proposing a method to statistically analyze and compare large model parameters layer by layer, this study provides new insights into the interpretability of large models. These discoveries emphasize the necessity of continuous research and the implementation of adaptive security measures in the rapidly evolving field of LLMs to prevent potential jailbreak attack risks, thereby promoting the development of more robust and secure LLMs.

--Rapid industrial digitalization has created intricate cybersecurity demands that necessitate effective validation methods. While cyber ranges and simulation platforms are widely deployed, they frequently face limitations in scenario diversity and creation efficiency. At its core, our platform introduces three key innovations: a structured framework for unified scenario modeling, a multi-agent collaboration mechanism for automated generation, and modular atomic security capabilities for flexible scenario composition. Built on solid theoretical foundations and released as open-source software, SpiderSim facilitates broader research and development in automated security testing for industrial digitalization. The rapid advancement of industrial digitalization has introduced unprecedented cybersecurity challenges across manufacturing, energy, transportation, and other sectors.

Large language models (LLMs) have shown great potential across various industries due to their remarkable ability to generalize through instruction tuning. However, the limited availability of domain-specific data significantly hampers their performance on specialized tasks. While existing methods primarily focus on selecting training data from general datasets that are similar to the target domain, they often fail to consider the joint distribution of instructions, resulting in inefficient learning and suboptimal knowledge transfer. To address these challenges, we introduce G2IS (Gradient-based Graph Instruction Selection), a novel method that constructs a mixed gradient-based instruction graph to capture the joint distribution and interdependencies between instructions. By accounting for the relationships between instructions, G2IS improves domain adaptation efficiency. Additionally, we propose a gradient walk algorithm to refine the data selection process, enhancing both training effectiveness and efficiency. Our experiments demonstrate that G2IS outperforms traditional methods across various domain adaptation tasks, yielding significant performance gains, particularly in complex, data-scarce scenarios. These results underscore the potential of G2IS in advancing the development of large, domain-specific models.

Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existing work can deal with both tasks to effectively leverage the duality between them, and current methods for each task are hindered by challenges in modeling 3D information and the limitations of available data. To address these issues, we propose 3DMolFormer, a unified dual-channel transformerbased framework applicable to both docking and 3D drug design tasks, which exploits their duality by utilizing docking functionalities within the drug design process. Specifically, we represent 3D pocket-ligand complexes using parallel sequences of discrete tokens and continuous numbers, and we design a corresponding dual-channel transformer model to handle this format, thereby overcoming the challenges of 3D information modeling. Additionally, we alleviate data limitations through large-scale pre-training on a mixed dataset, followed by supervised and reinforcement learning fine-tuning techniques respectively tailored for the two tasks. Experimental results demonstrate that 3DMolFormer outperforms previous approaches in both protein-ligand docking and pocket-aware 3D drug design, highlighting its promising application in structure-based drug discovery. These developments hold the promise of dramatically enhancing the efficiency of drug development processes (Blanco-Gonzalez et al., 2023). Structure-based drug discovery (SBDD) is one of the most critical strategies in drug discovery practices, relying on theories of drug-receptor interactions to study the complexes formed between protein pockets and small molecule ligands (Van Montfort & Workman, 2017). SBDD encompasses two core tasks: (1) protein-ligand binding pose prediction (docking), which involves predicting the 3D binding conformation of a ligand given the 3D structure of a protein and the 2D representation of the ligand (Yang et al., 2022), and (2) pocket-aware 3D drug design, which entails designing 3D drug molecules that bind well (with low binding energy) to a given pocket target on a protein These two tasks are inherently dual, and one is predictive, while the other is generative. However, as of now, the application of machine learning in these two SBDD tasks remains widely recognized as a challenge (Pala & Clark, 2024).

Simultaneous Machine Translation (SiMT) generates translations while receiving streaming source inputs. This requires the SiMT model to learn a read/write policy, deciding when to translate and when to wait for more source input. Numerous linguistic studies indicate that audiences in SiMT scenarios have distinct preferences, such as accurate translations, simpler syntax, and no unnecessary latency. Aligning SiMT models with these human preferences is crucial to improve their performances. However, this issue still remains unexplored. Additionally, preference optimization for SiMT task is also challenging. Existing methods focus solely on optimizing the generated responses, ignoring human preferences related to latency and the optimization of read/write policy during the preference optimization phase. To address these challenges, we propose Simultaneous Preference Learning (SimulPL), a preference learning framework tailored for the SiMT task. By leveraging the first four preferences, we construct human preference prompts to efficiently guide GPT-4/4o in generating preference data for the SiMT task. In the preference optimization phase, SimulPL integrates latency preference into the optimization objective and enables SiMT models to improve the read/write policy, thereby aligning with human preferences more effectively. Experimental results indicate that SimulPL exhibits better alignment with human preferences across all latency levels in Zh En, De En and En Zh SiMT tasks.

Electronic Health Records (EHRs) hold immense potential for advancing healthcare, offering rich, longitudinal data that combines structured information with valuable insights from unstructured clinical notes. However, the unstructured nature of clinical text poses significant challenges for secondary applications. Traditional methods for structuring EHR free-text data, such as rule-based systems and multi-stage pipelines, are often limited by their time-consuming configurations and inability to adapt across clinical notes from diverse healthcare settings. Few systems provide a comprehensive attribute extraction for terminologies. While giant large language models (LLMs) like GPT-4 and LLaMA 405B excel at structuring tasks, they are slow, costly, and impractical for large-scale use. To overcome these limitations, we introduce GENIE, a Generative Note Information Extraction system that leverages LLMs to streamline the structuring of unstructured clinical text into usable data with standardized format. GENIE processes entire paragraphs in a single pass, extracting entities, assertion statuses, locations, modifiers, values, and purposes with high accuracy. Its unified, end-to-end approach simplifies workflows, reduces errors, and eliminates the need for extensive manual intervention. Using a robust data preparation pipeline and fine-tuned small scale LLMs, GENIE achieves competitive performance across multiple information extraction tasks, outperforming traditional tools like cTAKES and MetaMap and can handle extra attributes to be extracted. GENIE strongly enhances real-world applicability and scalability in healthcare systems. By open-sourcing the model and test data, we aim to encourage collaboration and drive further advancements in EHR structurization.

The exponential growth of data storage demands has necessitated the evolution of hierarchical storage management strategies [1]. This study explores the application of streaming machine learning [3] to revolutionize data prefetching within multi-tiered storage systems. Unlike traditional batch-trained models, streaming machine learning [5] offers adaptability, real-time insights, and computational efficiency, responding dynamically to workload variations. This work designs and validates an innovative framework that integrates streaming classification models for predicting file access patterns, specifically the next file offset. Leveraging comprehensive feature engineering and real-time evaluation over extensive production traces, the proposed methodology achieves substantial improvements in prediction accuracy, memory efficiency, and system adaptability. The results underscore the potential of streaming models in real-time storage management, setting a precedent for advanced caching and tiering strategies.