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Density Functional Theory (DFT) is a cornerstone of materials science, yet executing DFT in practice requires coordinating a complex, multi-step workflow. Existing tools and LLM-based solutions automate parts of the steps, but lack support…
Existing parameter-efficient fine-tuning (PEFT) methods have achieved significant success on vision transformers (ViTs) adaptation by improving parameter efficiency. However, the exploration of enhancing inference efficiency during…
Multiple human tracking is a fundamental problem for scene understanding. Although both accuracy and speed are required in real-world applications, recent tracking methods based on deep learning have focused on accuracy and require…
Density functional theory (DFT) offers an exceptional balance between accuracy and efficiency, but practical density functional approximations face an unavoidable trade-off among simplicity, accuracy, and transferability. A systematic…
Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…
Advanced persistent threats (APTs) are organized prolonged cyberattacks by sophisticated attackers. Although APT activities are stealthy, they interact with the system components and these interactions lead to information flows. Dynamic…
Test-time adaptation (TTA) aims to improve the performance of source-domain pre-trained models on previously unseen, shifted target domains. Traditional TTA methods primarily adapt model weights based on target data streams, making model…
Drug target binding affinity (DTA) is a key criterion for drug screening. Existing experimental methods are time-consuming and rely on limited structural and domain information. While learning-based methods can model sequence and structural…
Supervised fine-tuning (SFT) is computationally efficient but often yields inferior generalization compared to reinforcement learning (RL). This gap is primarily driven by RL's use of on-policy data. We propose a framework to bridge this…
Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of…
Software-based attacks exploit bugs or vulnerabilities to get unauthorized access or leak confidential information. Dynamic information flow tracking (DIFT) is a security technique to track spurious information flows and provide strong…
Existing gradient-based jailbreak attacks typically optimize an adversarial suffix to induce a fixed affirmative response, e.g., ``Sure, here is...''. However, this fixed target usually resides in an extremely low-density region of a…
Dynamic fault trees (DFTs) have emerged as an important tool for capturing the dynamic behavior of system failure. These DFTs are then analyzed qualitatively and quantitatively using stochastic or algebraic methods to judge the failure…
Digital proximity tracing (DPT) for Sars-CoV-2 pandemic mitigation is a complex intervention with the primary goal to notify app users about possible risk exposures to infected persons. Policymakers and DPT operators need to know whether…
Linear-response time-dependent Density Functional Theory (LR-TDDFT) is a widely used method for accurately predicting the excited-state properties of physical systems. Previous works have attempted to accelerate LR-TDDFT using heterogeneous…
Data-Flow Integrity (DFI) is a well-known approach to effectively detecting a wide range of software attacks. However, its real-world application has been quite limited so far because of the prohibitive performance overhead it incurs.…
Static analysis has established itself as a weapon of choice for detecting security vulnerabilities. Taint analysis in particular is a very general and powerful technique, where security policies are expressed in terms of forbidden flows,…
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power and theoretical methods. This paper introduces a novel,…
In this paper, we propose a destination-aware adaptive traffic flow rule aggregation (DATA) mechanism for facilitating traffic flow monitoring in SDN-based networks. This method adapts the number of flow table entries in SDN switches…
Static analysis is a powerful tool for detecting security vulnerabilities and other programming problems. Global taint tracking, in particular, can spot vulnerabilities arising from complicated data flow across multiple functions. However,…