CAT: Concept-level backdoor ATtacks for Concept Bottleneck Models

Despite the transformative impact of deep learning across multiple domains, the inherent opacity of these models has driven the development of Explainable Artificial Intelligence (XAI). Among these efforts, Concept Bottleneck Models (CBMs) have emerged as a key approach to improve interpretability by leveraging high-level semantic information. However, CBMs, like other machine learning models, are susceptible to security threats, particularly backdoor attacks, which can covertly manipulate model behaviors. Understanding that the community has not yet studied the concept level backdoor attack of CBM, because of "Better the devil you know than the devil you don't know.", we introduce CAT (Concept-level Backdoor ATtacks), a methodology that leverages the conceptual representations within CBMs to embed triggers during training, enabling controlled manipulation of model predictions at inference time. An enhanced attack pattern, CAT+, incorporates a correlation function to systematically select the most effective and stealthy concept triggers, thereby optimizing the attack's impact. Our comprehensive evaluation framework assesses both the attack success rate and stealthiness, demonstrating that CAT and CAT+ maintain high performance on clean data while achieving significant targeted effects on backdoored datasets. This work underscores the potential security risks associated with CBMs and provides a robust testing methodology for future security assessments.

Deep Learning for predicting rate-induced tipping

Nonlinear dynamical systems exposed to changing forcing can exhibit catastrophic transitions between alternative and often markedly different states. The phenomenon of critical slowing down (CSD) can be used to anticipate such transitions if caused by a bifurcation and if the change in forcing is slow compared to the internal time scale of the system. However, in many real-world situations, these assumptions are not met and transitions can be triggered because the forcing exceeds a critical rate. For example, given the pace of anthropogenic climate change in comparison to the internal time scales of key Earth system components, such as the polar ice sheets or the Atlantic Meridional Overturning Circulation, such rate-induced tipping poses a severe risk. Moreover, depending on the realisation of random perturbations, some trajectories may transition across an unstable boundary, while others do not, even under the same forcing. CSD-based indicators generally cannot distinguish these cases of noise-induced tipping versus no tipping. This severely limits our ability to assess the risks of tipping, and to predict individual trajectories. To address this, we make a first attempt to develop a deep learning framework to predict transition probabilities of dynamical systems ahead of rate-induced transitions. Our method issues early warnings, as demonstrated on three prototypical systems for rate-induced tipping, subjected to time-varying equilibrium drift and noise perturbations. Exploiting explainable artificial intelligence methods, our framework captures the fingerprints necessary for early detection of rate-induced tipping, even in cases of long lead times. Our findings demonstrate the predictability of rate-induced and noise-induced tipping, advancing our ability to determine safe operating spaces for a broader class of dynamical systems than possible so far.

In-Context Learning with Representations: Contextual Generalization of Trained Transformers

In-context learning (ICL) refers to a remarkable capability of pretrained large language models, which can learn a new task given a few examples during inference. However, theoretical understanding of ICL is largely under-explored, particularly whether transformers can be trained to generalize to unseen examples in a prompt, which will require the model to acquire contextual knowledge of the prompt for generalization. This paper investigates the training dynamics of transformers by gradient descent through the lens of non-linear regression tasks. The contextual generalization here can be attained via learning the template function for each task in-context, where all template functions lie in a linear space with $m$ basis functions. We analyze the training dynamics of one-layer multi-head transformers to in-contextly predict unlabeled inputs given partially labeled prompts, where the labels contain Gaussian noise and the number of examples in each prompt are not sufficient to determine the template. Under mild assumptions, we show that the training loss for a one-layer multi-head transformer converges linearly to a global minimum. Moreover, the transformer effectively learns to perform ridge regression over the basis functions. To our knowledge, this study is the first provable demonstration that transformers can learn contextual (i.e., template) information to generalize to both unseen examples and tasks when prompts contain only a small number of query-answer pairs.

Foundations and Frontiers of Graph Learning Theory

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations, have become a popular paradigm. With these models being usually characterized by intuition-driven design or highly intricate components, placing them within the theoretical analysis framework to distill the core concepts, helps understand the key principles that drive the functionality better and guide further development. Given this surge in interest, this article provides a comprehensive summary of the theoretical foundations and breakthroughs concerning the approximation and learning behaviors intrinsic to prevalent graph learning models. Encompassing discussions on fundamental aspects such as expressiveness power, generalization, optimization, and unique phenomena such as over-smoothing and over-squashing, this piece delves into the theoretical foundations and frontier driving the evolution of graph learning. In addition, this article also presents several challenges and further initiates discussions on possible solutions.

EnviroExam: Benchmarking Environmental Science Knowledge of Large Language Models

In the field of environmental science, it is crucial to have robust evaluation metrics for large language models to ensure their efficacy and accuracy. We propose EnviroExam, a comprehensive evaluation method designed to assess the knowledge of large language models in the field of environmental science. EnviroExam is based on the curricula of top international universities, covering undergraduate, master's, and doctoral courses, and includes 936 questions across 42 core courses. By conducting 0-shot and 5-shot tests on 31 open-source large language models, EnviroExam reveals the performance differences among these models in the domain of environmental science and provides detailed evaluation standards. The results show that 61.3% of the models passed the 5-shot tests, while 48.39% passed the 0-shot tests. By introducing the coefficient of variation as an indicator, we evaluate the performance of mainstream open-source large language models in environmental science from multiple perspectives, providing effective criteria for selecting and fine-tuning language models in this field. Future research will involve constructing more domain-specific test sets using specialized environmental science textbooks to further enhance the accuracy and specificity of the evaluation.

HDLdebugger: Streamlining HDL debugging with Large Language Models

In the domain of chip design, Hardware Description Languages (HDLs) play a pivotal role. However, due to the complex syntax of HDLs and the limited availability of online resources, debugging HDL codes remains a difficult and time-intensive task, even for seasoned engineers. Consequently, there is a pressing need to develop automated HDL code debugging models, which can alleviate the burden on hardware engineers. Despite the strong capabilities of Large Language Models (LLMs) in generating, completing, and debugging software code, their utilization in the specialized field of HDL debugging has been limited and, to date, has not yielded satisfactory results. In this paper, we propose an LLM-assisted HDL debugging framework, namely HDLdebugger, which consists of HDL debugging data generation via a reverse engineering approach, a search engine for retrieval-augmented generation, and a retrieval-augmented LLM fine-tuning approach. Through the integration of these components, HDLdebugger can automate and streamline HDL debugging for chip design. Our comprehensive experiments, conducted on an HDL code dataset sourced from Huawei, reveal that HDLdebugger outperforms 13 cutting-edge LLM baselines, displaying exceptional effectiveness in HDL code debugging.

Accelerating Convergence of Score-Based Diffusion Models, Provably

Score-based diffusion models, while achieving remarkable empirical performance, often suffer from low sampling speed, due to extensive function evaluations needed during the sampling phase. Despite a flurry of recent activities towards speeding up diffusion generative modeling in practice, theoretical underpinnings for acceleration techniques remain severely limited. In this paper, we design novel training-free algorithms to accelerate popular deterministic (i.e., DDIM) and stochastic (i.e., DDPM) samplers. Our accelerated deterministic sampler converges at a rate $O(1/{T}^2)$ with $T$ the number of steps, improving upon the $O(1/T)$ rate for the DDIM sampler; and our accelerated stochastic sampler converges at a rate $O(1/T)$, outperforming the rate $O(1/\sqrt{T})$ for the DDPM sampler. The design of our algorithms leverages insights from higher-order approximation, and shares similar intuitions as popular high-order ODE solvers like the DPM-Solver-2. Our theory accommodates $\ell_2$-accurate score estimates, and does not require log-concavity or smoothness on the target distribution.

Transformers Provably Learn Feature-Position Correlations in Masked Image Modeling

Masked image modeling (MIM), which predicts randomly masked patches from unmasked ones, has emerged as a promising approach in self-supervised vision pretraining. However, the theoretical understanding of MIM is rather limited, especially with the foundational architecture of transformers. In this paper, to the best of our knowledge, we provide the first end-to-end theory of learning one-layer transformers with softmax attention in MIM self-supervised pretraining. On the conceptual side, we posit a theoretical mechanism of how transformers, pretrained with MIM, produce empirically observed local and diverse attention patterns on data distributions with spatial structures that highlight feature-position correlations. On the technical side, our end-to-end analysis of the training dynamics of softmax-based transformers accommodates both input and position embeddings simultaneously, which is developed based on a novel approach to track the interplay between the attention of feature-position and position-wise correlations.

EyeTrans: Merging Human and Machine Attention for Neural Code Summarization

Neural code summarization leverages deep learning models to automatically generate brief natural language summaries of code snippets. The development of Transformer models has led to extensive use of attention during model design. While existing work has primarily and almost exclusively focused on static properties of source code and related structural representations like the Abstract Syntax Tree (AST), few studies have considered human attention, that is, where programmers focus while examining and comprehending code. In this paper, we develop a method for incorporating human attention into machine attention to enhance neural code summarization. To facilitate this incorporation and vindicate this hypothesis, we introduce EyeTrans, which consists of three steps: (1) we conduct an extensive eye-tracking human study to collect and pre-analyze data for model training, (2) we devise a data-centric approach to integrate human attention with machine attention in the Transformer architecture, and (3) we conduct comprehensive experiments on two code summarization tasks to demonstrate the effectiveness of incorporating human attention into Transformers. Integrating human attention leads to an improvement of up to 29.91% in Functional Summarization and up to 6.39% in General Code Summarization performance, demonstrating the substantial benefits of this combination. We further explore performance in terms of robustness and efficiency by creating challenging summarization scenarios in which EyeTrans exhibits interesting properties. We also visualize the attention map to depict the simplifying effect of machine attention in the Transformer by incorporating human attention. This work has the potential to propel AI research in software engineering by introducing more human-centered approaches and data.

Do Machines and Humans Focus on Similar Code? Exploring Explainability of Large Language Models in Code Summarization

Recent language models have demonstrated proficiency in summarizing source code. However, as in many other domains of machine learning, language models of code lack sufficient explainability. Informally, we lack a formulaic or intuitive understanding of what and how models learn from code. Explainability of language models can be partially provided if, as the models learn to produce higher-quality code summaries, they also align in deeming the same code parts important as those identified by human programmers. In this paper, we report negative results from our investigation of explainability of language models in code summarization through the lens of human comprehension. We measure human focus on code using eye-tracking metrics such as fixation counts and duration in code summarization tasks. To approximate language model focus, we employ a state-of-the-art model-agnostic, black-box, perturbation-based approach, SHAP (SHapley Additive exPlanations), to identify which code tokens influence that generation of summaries. Using these settings, we find no statistically significant relationship between language models' focus and human programmers' attention. Furthermore, alignment between model and human foci in this setting does not seem to dictate the quality of the LLM-generated summaries. Our study highlights an inability to align human focus with SHAP-based model focus measures. This result calls for future investigation of multiple open questions for explainable language models for code summarization and software engineering tasks in general, including the training mechanisms of language models for code, whether there is an alignment between human and model attention on code, whether human attention can improve the development of language models, and what other model focus measures are appropriate for improving explainability.