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Zitao Chen

Publications and source records attributed to Zitao Chen.

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MLS-Bench: A Holistic and Rigorous Assessment of AI Systems on Building Better AI

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.

cs.LG

Free field realization of the Ding-Iohara algebra at general levels

We present a unified free field realization of the Ding-Iohara algebra at arbitrary levels, which satisfies a generalized form of the Serre relations. This realization, constructed using six free boson fields, arises from a specialized factorization of the structure function in the defining relations of the algebra. Based on this construction, we then develop intertwining operators for the Ding-Iohara algebra.

hep-th

Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space

Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches address this through supervised tasks like molecule inpainting or property-guided optimization. In this work, we propose a flexible zero-shot molecule manipulation method by navigating in a shared latent space of 3D molecules. We introduce a Variational AutoEncoder (VAE) for 3D molecules, named MolFLAE, which learns a fixed-dimensional, E(3)-equivariant latent space independent of atom counts. MolFLAE encodes 3D molecules using an E(3)-equivariant neural network into fixed number of latent nodes, distinguished by learned embeddings. The latent space is regularized, and molecular structures are reconstructed via a Bayesian Flow Network (BFN) conditioned on the encoder's latent output. MolFLAE achieves competitive performance on standard unconditional 3D molecule generation benchmarks. Moreover, the latent space of MolFLAE enables zero-shot molecule manipulation, including atom number editing, structure reconstruction, and coordinated latent interpolation for both structure and properties. We further demonstrate our approach on a drug optimization task for the human glucocorticoid receptor, generating molecules with improved hydrophilicity while preserving key interactions, under computational evaluations. These results highlight the flexibility, robustness, and real-world utility of our method, opening new avenues for molecule editing and optimization.

cs.LG

Anonymity Unveiled: A Practical Framework for Auditing Data Use in Deep Learning Models

The rise of deep learning (DL) has led to a surging demand for training data, which incentivizes the creators of DL models to trawl through the Internet for training materials. Meanwhile, users often have limited control over whether their data (e.g., facial images) are used to train DL models without their consent, which has engendered pressing concerns. This work proposes MembershipTracker, a practical data auditing tool that can empower ordinary users to reliably detect the unauthorized use of their data in training DL models. We view data auditing through the lens of membership inference (MI). MembershipTracker consists of a lightweight data marking component to mark the target data with small and targeted changes, which can be strongly memorized by the model trained on them; and a specialized MI-based verification process to audit whether the model exhibits strong memorization on the target samples. MembershipTracker only requires the users to mark a small fraction of data (0.005% to 0.1% in proportion to the training set), and it enables the users to reliably detect the unauthorized use of their data (average 0% FPR@100% TPR). We show that MembershipTracker is highly effective across various settings, including industry-scale training on the full-size ImageNet-1k dataset. We finally evaluate MembershipTracker under multiple classes of countermeasures.

cs.CR

A Method to Facilitate Membership Inference Attacks in Deep Learning Models

Modern machine learning (ML) ecosystems offer a surging number of ML frameworks and code repositories that can greatly facilitate the development of ML models. Today, even ordinary data holders who are not ML experts can apply off-the-shelf codebase to build high-performance ML models on their data, many of which are sensitive in nature (e.g., clinical records). In this work, we consider a malicious ML provider who supplies model-training code to the data holders, does not have access to the training process, and has only black-box query access to the resulting model. In this setting, we demonstrate a new form of membership inference attack that is strictly more powerful than prior art. Our attack empowers the adversary to reliably de-identify all the training samples (average >99% attack TPR@0.1% FPR), and the compromised models still maintain competitive performance as their uncorrupted counterparts (average <1% accuracy drop). Moreover, we show that the poisoned models can effectively disguise the amplified membership leakage under common membership privacy auditing, which can only be revealed by a set of secret samples known by the adversary. Overall, our study not only points to the worst-case membership privacy leakage, but also unveils a common pitfall underlying existing privacy auditing methods, which calls for future efforts to rethink the current practice of auditing membership privacy in machine learning models.

cs.CR

Sliding ferroelectric memories and synapses

Ferroelectric materials with switchable electric polarization hold great promise for a plethora of emergent applications, such as post-Moore's law nanoelectronics, beyond-Boltzmann transistors, non-volatile memories, and above-bandgap photovoltaic devices. Recent advances have uncovered an exotic sliding ferroelectric mechanism, which endows to design atomically thin ferroelectrics from non-ferroelectric parent monolayers. Although notable progress has been witnessed in understanding its fundamental properties, functional devices based on sliding ferroelectrics, the key touchstone toward applications, remain elusive. Here, we demonstrate the rewritable, non-volatile memory devices at room-temperature utilizing a two-dimensional (2D) sliding ferroelectric semiconductor of rhombohedral-stacked bilayer molybdenum disulfide. The 2D sliding ferroelectric memories (SFeMs) show superior performances with a large memory window of >8V, a high conductance ratio of above 106, a long retention time of >10 years, and a programming endurance greater than 104 cycles. Remarkably, flexible SFeMs are achieved with state-of-the-art performances competitive to their rigid counterparts and maintain their performances post bending over 103 cycles. Furthermore, synapse-specific Hebbian forms of plasticity and image recognition with a high accuracy of 97.81% are demonstrated based on flexible SFeMs. Our work demonstrates the sliding ferroelectric memories and synaptic plasticity on both rigid and flexible substrates, highlighting the great potential of sliding ferroelectrics for emerging technological applications in brain-inspired in-memory computing, edge intelligence and energy-efficient wearable electronics.

cond-mat.mes-hall

Overconfidence is a Dangerous Thing: Mitigating Membership Inference Attacks by Enforcing Less Confident Prediction

Machine learning (ML) models are vulnerable to membership inference attacks (MIAs), which determine whether a given input is used for training the target model. While there have been many efforts to mitigate MIAs, they often suffer from limited privacy protection, large accuracy drop, and/or requiring additional data that may be difficult to acquire. This work proposes a defense technique, HAMP that can achieve both strong membership privacy and high accuracy, without requiring extra data. To mitigate MIAs in different forms, we observe that they can be unified as they all exploit the ML model's overconfidence in predicting training samples through different proxies. This motivates our design to enforce less confident prediction by the model, hence forcing the model to behave similarly on the training and testing samples. HAMP consists of a novel training framework with high-entropy soft labels and an entropy-based regularizer to constrain the model's prediction while still achieving high accuracy. To further reduce privacy risk, HAMP uniformly modifies all the prediction outputs to become low-confidence outputs while preserving the accuracy, which effectively obscures the differences between the prediction on members and non-members. We conduct extensive evaluation on five benchmark datasets, and show that HAMP provides consistently high accuracy and strong membership privacy. Our comparison with seven state-of-the-art defenses shows that HAMP achieves a superior privacy-utility trade off than those techniques.

cs.CR

Jujutsu: A Two-stage Defense against Adversarial Patch Attacks on Deep Neural Networks

Adversarial patch attacks create adversarial examples by injecting arbitrary distortions within a bounded region of the input to fool deep neural networks (DNNs). These attacks are robust (i.e., physically-realizable) and universally malicious, and hence represent a severe security threat to real-world DNN-based systems. We propose Jujutsu, a two-stage technique to detect and mitigate robust and universal adversarial patch attacks. We first observe that adversarial patches are crafted as localized features that yield large influence on the prediction output, and continue to dominate the prediction on any input. Jujutsu leverages this observation for accurate attack detection with low false positives. Patch attacks corrupt only a localized region of the input, while the majority of the input remains unperturbed. Therefore, Jujutsu leverages generative adversarial networks (GAN) to perform localized attack recovery by synthesizing the semantic contents of the input that are corrupted by the attacks, and reconstructs a ``clean'' input for correct prediction. We evaluate Jujutsu on four diverse datasets spanning 8 different DNN models, and find that it achieves superior performance and significantly outperforms four existing defenses. We further evaluate Jujutsu against physical-world attacks, as well as adaptive attacks.

cs.CR

A Low-cost Fault Corrector for Deep Neural Networks through Range Restriction

The adoption of deep neural networks (DNNs) in safety-critical domains has engendered serious reliability concerns. A prominent example is hardware transient faults that are growing in frequency due to the progressive technology scaling, and can lead to failures in DNNs. This work proposes Ranger, a low-cost fault corrector, which directly rectifies the faulty output due to transient faults without re-computation. DNNs are inherently resilient to benign faults (which will not cause output corruption), but not to critical faults (which can result in erroneous output). Ranger is an automated transformation to selectively restrict the value ranges in DNNs, which reduces the large deviations caused by critical faults and transforms them to benign faults that can be tolerated by the inherent resilience of the DNNs. Our evaluation on 8 DNNs demonstrates Ranger significantly increases the error resilience of the DNNs (by 3x to 50x), with no loss in accuracy, and with negligible overheads.

cs.LG

TensorFI: A Flexible Fault Injection Framework for TensorFlow Applications

As machine learning (ML) has seen increasing adoption in safety-critical domains (e.g., autonomous vehicles), the reliability of ML systems has also grown in importance. While prior studies have proposed techniques to enable efficient error-resilience techniques (e.g., selective instruction duplication), a fundamental requirement for realizing these techniques is a detailed understanding of the application's resilience. In this work, we present TensorFI, a high-level fault injection (FI) framework for TensorFlow-based applications. TensorFI is able to inject both hardware and software faults in general TensorFlow programs. TensorFI is a configurable FI tool that is flexible, easy to use, and portable. It can be integrated into existing TensorFlow programs to assess their resilience for different fault types (e.g., faults in particular operators). We use TensorFI to evaluate the resilience of 12 ML programs, including DNNs used in the autonomous vehicle domain. Our tool is publicly available at https://github.com/DependableSystemsLab/TensorFI.

cs.DC