RP-CATE: Recurrent Perceptron-based Channel Attention Transformer Encoder for Industrial Hybrid Modeling

Nowadays, industrial hybrid modeling which integrates both mechanistic modeling and machine learning-based modeling techniques has attracted increasing interest from scholars due to its high accuracy, low computational cost, and satisfactory interpretability. Nevertheless, the existing industrial hybrid modeling methods still face two main limitations. First, current research has mainly focused on applying a single machine learning method to one specific task, failing to develop a comprehensive machine learning architecture suitable for modeling tasks, which limits their ability to effectively represent complex industrial scenarios. Second, industrial datasets often contain underlying associations (e.g., monotonicity or periodicity) that are not adequately exploited by current research, which can degrade model's predictive performance. To address these limitations, this paper proposes the Recurrent Perceptron-based Channel Attention Transformer Encoder (RP-CATE), with three distinctive characteristics: 1: We developed a novel architecture by replacing the self-attention mechanism with channel attention and incorporating our proposed Recurrent Perceptron (RP) Module into Transformer, achieving enhanced effectiveness for industrial modeling tasks compared to the original Transformer. 2: We proposed a new data type called Pseudo-Image Data (PID) tailored for channel attention requirements and developed a cyclic sliding window method for generating PID. 3: We introduced the concept of Pseudo-Sequential Data (PSD) and a method for converting industrial datasets into PSD, which enables the RP Module to capture the underlying associations within industrial dataset more effectively. An experiment aimed at hybrid modeling in chemical engineering was conducted by using RP-CATE and the experimental results demonstrate that RP-CATE achieves the best performance compared to other baseline models.

DynamicRTL: RTL Representation Learning for Dynamic Circuit Behavior

There is a growing body of work on using Graph Neural Networks (GNNs) to learn representations of circuits, focusing primarily on their static characteristics. However, these models fail to capture circuit runtime behavior, which is crucial for tasks like circuit verification and optimization. To address this limitation, we introduce DR-GNN (DynamicRTL-GNN), a novel approach that learns RTL circuit representations by incorporating both static structures and multi-cycle execution behaviors. DR-GNN leverages an operator-level Control Data Flow Graph (CDFG) to represent Register Transfer Level (RTL) circuits, enabling the model to capture dynamic dependencies and runtime execution. To train and evaluate DR-GNN, we build the first comprehensive dynamic circuit dataset, comprising over 6,300 Verilog designs and 63,000 simulation traces. Our results demonstrate that DR-GNN outperforms existing models in branch hit prediction and toggle rate prediction. Furthermore, its learned representations transfer effectively to related dynamic circuit tasks, achieving strong performance in power estimation and assertion prediction.

Rethinking Benign Overfitting in Two-Layer Neural Networks

Recent theoretical studies (Kou et al., 2023; Cao et al., 2022) have revealed a sharp phase transition from benign to harmful overfitting when the noise-to-feature ratio exceeds a threshold-a situation common in long-tailed data distributions where atypical data is prevalent. However, harmful overfitting rarely happens in overparameterized neural networks. Further experimental results suggested that memorization is necessary for achieving near-optimal generalization error in long-tailed data distributions (Feldman & Zhang, 2020). We argue that this discrepancy between theoretical predictions and empirical observations arises because previous feature-noise data models overlook the heterogeneous nature of noise across different data classes. In this paper, we refine the feature-noise data model by incorporating class-dependent heterogeneous noise and re-examine the overfitting phenomenon in neural networks. Through a comprehensive analysis of the training dynamics, we establish test loss bounds for the refined model. Our findings reveal that neural networks can leverage "data noise", previously deemed harmful, to learn implicit features that improve the classification accuracy for long-tailed data. Experimental validation on both synthetic and real-world datasets supports our theoretical results.

Characterizing and Evaluating the Reliability of LLMs against Jailbreak Attacks

Large Language Models (LLMs) have increasingly become pivotal in content generation with notable societal impact. These models hold the potential to generate content that could be deemed harmful.Efforts to mitigate this risk include implementing safeguards to ensure LLMs adhere to social ethics.However, despite such measures, the phenomenon of "jailbreaking" -- where carefully crafted prompts elicit harmful responses from models -- persists as a significant challenge. Recognizing the continuous threat posed by jailbreaking tactics and their repercussions for the trustworthy use of LLMs, a rigorous assessment of the models' robustness against such attacks is essential. This study introduces an comprehensive evaluation framework and conducts an large-scale empirical experiment to address this need. We concentrate on 10 cutting-edge jailbreak strategies across three categories, 1525 questions from 61 specific harmful categories, and 13 popular LLMs. We adopt multi-dimensional metrics such as Attack Success Rate (ASR), Toxicity Score, Fluency, Token Length, and Grammatical Errors to thoroughly assess the LLMs' outputs under jailbreak. By normalizing and aggregating these metrics, we present a detailed reliability score for different LLMs, coupled with strategic recommendations to reduce their susceptibility to such vulnerabilities. Additionally, we explore the relationships among the models, attack strategies, and types of harmful content, as well as the correlations between the evaluation metrics, which proves the validity of our multifaceted evaluation framework. Our extensive experimental results demonstrate a lack of resilience among all tested LLMs against certain strategies, and highlight the need to concentrate on the reliability facets of LLMs. We believe our study can provide valuable insights into enhancing the security evaluation of LLMs against jailbreak within the domain.

Addressing Out-of-Distribution Challenges in Image Semantic Communication Systems with Multi-modal Large Language Models

Semantic communication is a promising technology for next-generation wireless networks. However, the out-of-distribution (OOD) problem, where a pre-trained machine learning (ML) model is applied to unseen tasks that are outside the distribution of its training data, may compromise the integrity of semantic compression. This paper explores the use of multi-modal large language models (MLLMs) to address the OOD issue in image semantic communication. We propose a novel "Plan A - Plan B" framework that leverages the broad knowledge and strong generalization ability of an MLLM to assist a conventional ML model when the latter encounters an OOD input in the semantic encoding process. Furthermore, we propose a Bayesian optimization scheme that reshapes the probability distribution of the MLLM's inference process based on the contextual information of the image. The optimization scheme significantly enhances the MLLM's performance in semantic compression by 1) filtering out irrelevant vocabulary in the original MLLM output; and 2) using contextual similarities between prospective answers of the MLLM and the background information as prior knowledge to modify the MLLM's probability distribution during inference. Further, at the receiver side of the communication system, we put forth a "generate-criticize" framework that utilizes the cooperation of multiple MLLMs to enhance the reliability of image reconstruction.

Transmitter Side Beyond-Diagonal RIS for mmWave Integrated Sensing and Communications

This work initiates the study of a beyond-diagonal reconfigurable intelligent surface (BD-RIS)-aided transmitter architecture for integrated sensing and communication (ISAC) in the millimeter-wave (mmWave) frequency band. Deploying BD-RIS at the transmitter side not only alleviates the need for extensive fully digital radio frequency (RF) chains but also enhances both communication and sensing performance. These benefits are facilitated by the additional design flexibility introduced by the fully-connected scattering matrix of BD-RIS. To achieve the aforementioned benefits, in this work, we propose an efficient two-stage algorithm to design the digital beamforming of the transmitter and the scattering matrix of the BD-RIS with the aim of jointly maximizing the sum rate for multiple communication users and minimizing the largest eigenvalue of the Cramer-Rao bound (CRB) matrix for multiple sensing targets. Numerical results show that the transmitter-side BD-RIS-aided mmWave ISAC outperforms the conventional diagonal-RIS-aided ones in both communication and sensing performance.

LLM-Assisted Multi-Teacher Continual Learning for Visual Question Answering in Robotic Surgery

Visual question answering (VQA) can be fundamentally crucial for promoting robotic-assisted surgical education. In practice, the needs of trainees are constantly evolving, such as learning more surgical types, adapting to different robots, and learning new surgical instruments and techniques for one surgery. Therefore, continually updating the VQA system by a sequential data stream from multiple resources is demanded in robotic surgery to address new tasks. In surgical scenarios, the storage cost and patient data privacy often restrict the availability of old data when updating the model, necessitating an exemplar-free continual learning (CL) setup. However, prior studies overlooked two vital problems of the surgical domain: i) large domain shifts from diverse surgical operations collected from multiple departments or clinical centers, and ii) severe data imbalance arising from the uneven presence of surgical instruments or activities during surgical procedures. This paper proposes to address these two problems with a multimodal large language model (LLM) and an adaptive weight assignment methodology. We first develop a new multi-teacher CL framework that leverages a multimodal LLM as the additional teacher. The strong generalization ability of the LLM can bridge the knowledge gap when domain shifts and data imbalances occur. We then put forth a novel data processing method that transforms complex LLM embeddings into logits compatible with our CL framework. We further design an adaptive weight assignment approach that balances the generalization ability of the LLM and the domain expertise of the old CL model. We construct a new dataset for surgical VQA tasks, providing valuable data resources for future research. Extensive experimental results on three datasets demonstrate the superiority of our method to other advanced CL models.

An Autonomous Large Language Model Agent for Chemical Literature Data Mining

Chemical synthesis, which is crucial for advancing material synthesis and drug discovery, impacts various sectors including environmental science and healthcare. The rise of technology in chemistry has generated extensive chemical data, challenging researchers to discern patterns and refine synthesis processes. Artificial intelligence (AI) helps by analyzing data to optimize synthesis and increase yields. However, AI faces challenges in processing literature data due to the unstructured format and diverse writing style of chemical literature. To overcome these difficulties, we introduce an end-to-end AI agent framework capable of high-fidelity extraction from extensive chemical literature. This AI agent employs large language models (LLMs) for prompt generation and iterative optimization. It functions as a chemistry assistant, automating data collection and analysis, thereby saving manpower and enhancing performance. Our framework's efficacy is evaluated using accuracy, recall, and F1 score of reaction condition data, and we compared our method with human experts in terms of content correctness and time efficiency. The proposed approach marks a significant advancement in automating chemical literature extraction and demonstrates the potential for AI to revolutionize data management and utilization in chemistry.

Towards an Automatic AI Agent for Reaction Condition Recommendation in Chemical Synthesis

Artificial intelligence (AI) for reaction condition optimization has become an important topic in the pharmaceutical industry, given that a data-driven AI model can assist drug discovery and accelerate reaction design. However, existing AI models lack the chemical insights and real-time knowledge acquisition abilities of experienced human chemists. This paper proposes a Large Language Model (LLM) empowered AI agent to bridge this gap. We put forth a novel three-phase paradigm and applied advanced intelligence-enhancement methods like in-context learning and multi-LLM debate so that the AI agent can borrow human insight and update its knowledge by searching the latest chemical literature. Additionally, we introduce a novel Coarse-label Contrastive Learning (CCL) based chemical fingerprint that greatly enhances the agent's performance in optimizing the reaction condition. With the above efforts, the proposed AI agent can autonomously generate the optimal reaction condition recommendation without any human interaction. Further, the agent is highly professional in terms of chemical reactions. It demonstrates close-to-human performance and strong generalization capability in both dry-lab and wet-lab experiments. As the first attempt in the chemical AI agent, this work goes a step further in the field of "AI for chemistry" and opens up new possibilities for computer-aided synthesis planning.

Point-Bind & Point-LLM: Aligning Point Cloud with Multi-modality for 3D Understanding, Generation, and Instruction Following

We introduce Point-Bind, a 3D multi-modality model aligning point clouds with 2D image, language, audio, and video. Guided by ImageBind, we construct a joint embedding space between 3D and multi-modalities, enabling many promising applications, e.g., any-to-3D generation, 3D embedding arithmetic, and 3D open-world understanding. On top of this, we further present Point-LLM, the first 3D large language model (LLM) following 3D multi-modal instructions. By parameter-efficient fine-tuning techniques, Point-LLM injects the semantics of Point-Bind into pre-trained LLMs, e.g., LLaMA, which requires no 3D instruction data, but exhibits superior 3D and multi-modal question-answering capacity. We hope our work may cast a light on the community for extending 3D point clouds to multi-modality applications. Code is available at https://github.com/ZiyuGuo99/Point-Bind_Point-LLM.