Yao Li

Fan Yin, Yao Li, Cho-Jui Hsieh et al.

Adversarial Examples Detection (AED) is a crucial defense technique against adversarial attacks and has drawn increasing attention from the Natural Language Processing (NLP) community. Despite the surge of new AED methods, our studies show that existing methods heavily rely on a shortcut to achieve good performance. In other words, current search-based adversarial attacks in NLP stop once model predictions change, and thus most adversarial examples generated by those attacks are located near model decision boundaries. To surpass this shortcut and fairly evaluate AED methods, we propose to test AED methods with \textbf{F}ar \textbf{B}oundary (\textbf{FB}) adversarial examples. Existing methods show worse than random guess performance under this scenario. To overcome this limitation, we propose a new technique, \textbf{ADDMU}, \textbf{a}dversary \textbf{d}etection with \textbf{d}ata and \textbf{m}odel \textbf{u}ncertainty, which combines two types of uncertainty estimation for both regular and FB adversarial example detection. Our new method outperforms previous methods by 3.6 and 6.0 \emph{AUC} points under each scenario. Finally, our analysis shows that the two types of uncertainty provided by \textbf{ADDMU} can be leveraged to characterize adversarial examples and identify the ones that contribute most to model's robustness in adversarial training.

Barış Bayazıt, Yao Li, Xujie Si

Large language models (LLMs) can potentially help with verification using proof assistants by automating proofs. However, it is unclear how effective LLMs are in this task. In this paper, we perform a case study based on two mature Rocq projects: the hs-to-coq tool and Verdi. We evaluate the effectiveness of LLMs in generating proofs by both quantitative and qualitative analysis. Our study finds that: (1) external dependencies and context in the same source file can significantly help proof generation; (2) LLMs perform great on small proofs but can also generate large proofs; (3) LLMs perform differently on different verification projects; and (4) LLMs can generate concise and smart proofs, apply classical techniques to new definitions, but can also make odd mistakes.

Yue Kang, Mingshuo Liu, Bongsoo Yi et al.

Generalized linear bandits have been extensively studied due to their broad applicability in real-world online decision-making problems. However, these methods typically assume that the expected reward function is known to the users, an assumption that is often unrealistic in practice. Misspecification of this link function can lead to the failure of all existing algorithms. In this work, we address this critical limitation by introducing a new problem of generalized linear bandits with unknown reward functions, also known as single index bandits. We first consider the case where the unknown reward function is monotonically increasing, and propose two novel and efficient algorithms, STOR and ESTOR, that achieve decent regrets under standard assumptions. Notably, our ESTOR can obtain the nearly optimal regret bound $\tilde{O}_T(\sqrt{T})$ in terms of the time horizon $T$. We then extend our methods to the high-dimensional sparse setting and show that the same regret rate can be attained with the sparsity index. Next, we introduce GSTOR, an algorithm that is agnostic to general reward functions, and establish regret bounds under a Gaussian design assumption. Finally, we validate the efficiency and effectiveness of our algorithms through experiments on both synthetic and real-world datasets.

Yao Li, Xiaorui Liu, Jiliang Tang et al.

Decentralized optimization and communication compression have exhibited their great potential in accelerating distributed machine learning by mitigating the communication bottleneck in practice. While existing decentralized algorithms with communication compression mostly focus on the problems with only smooth components, we study the decentralized stochastic composite optimization problem with a potentially non-smooth component. A \underline{Prox}imal gradient \underline{L}in\underline{EA}r convergent \underline{D}ecentralized algorithm with compression, Prox-LEAD, is proposed with rigorous theoretical analyses in the general stochastic setting and the finite-sum setting. Our theorems indicate that Prox-LEAD works with arbitrary compression precision, and it tremendously reduces the communication cost almost for free. The superiorities of the proposed algorithms are demonstrated through the comparison with state-of-the-art algorithms in terms of convergence complexities and numerical experiments. Our algorithmic framework also generally enlightens the compressed communication on other primal-dual algorithms by reducing the impact of inexact iterations, which might be of independent interest.

Jianyuan Deng, Zhibo Yang, Yao Li et al.

Naloxone, an opioid antagonist, has been widely used to save lives from opioid overdose, a leading cause for death in the opioid epidemic. However, naloxone has short brain retention ability, which limits its therapeutic efficacy. Developing better opioid antagonists is critical in combating the opioid epidemic.Instead of exhaustively searching in a huge chemical space for better opioid antagonists, we adopt reinforcement learning which allows efficient gradient-based search towards molecules with desired physicochemical and/or biological properties. Specifically, we implement a deep reinforcement learning framework to discover potential lead compounds as better opioid antagonists with enhanced brain retention ability. A customized multi-objective reward function is designed to bias the generation towards molecules with both sufficient opioid antagonistic effect and enhanced brain retention ability. Thorough evaluation demonstrates that with this framework, we are able to identify valid, novel and feasible molecules with multiple desired properties, which has high potential in drug discovery.