PEAR: A Robust and Flexible Automation Framework for Ptychography Enabled by Multiple Large Language Model Agents

Ptychography is an advanced computational imaging technique in X-ray and electron microscopy. It has been widely adopted across scientific research fields, including physics, chemistry, biology, and materials science, as well as in industrial applications such as semiconductor characterization. In practice, obtaining high-quality ptychographic images requires simultaneous optimization of numerous experimental and algorithmic parameters. Traditionally, parameter selection often relies on trial and error, leading to low-throughput workflows and potential human bias. In this work, we develop the "Ptychographic Experiment and Analysis Robot" (PEAR), a framework that leverages large language models (LLMs) to automate data analysis in ptychography. To ensure high robustness and accuracy, PEAR employs multiple LLM agents for tasks including knowledge retrieval, code generation, parameter recommendation, and image reasoning. Our study demonstrates that PEAR's multi-agent design significantly improves the workflow success rate, even with smaller open-weight models such as LLaMA 3.1 8B. PEAR also supports various automation levels and is designed to work with customized local knowledge bases, ensuring flexibility and adaptability across different research environments.

Achieving Sparse Activation in Small Language Models

Sparse activation, which selectively activates only an input-dependent set of neurons in inference, is a useful technique to reduce the computing cost of Large Language Models (LLMs) without retraining or adaptation efforts. However, whether it can be applied to the recently emerging Small Language Models (SLMs) remains questionable, because SLMs are generally less over-parameterized than LLMs. In this paper, we aim to achieve sparse activation in SLMs. We first show that the existing sparse activation schemes in LLMs that build on neurons' output magnitudes cannot be applied to SLMs, and activating neurons based on their attribution scores is a better alternative. Further, we demonstrated and quantified the large errors of existing attribution metrics when being used for sparse activation, due to the interdependency among attribution scores of neurons across different layers. Based on these observations, we proposed a new attribution metric that can provably correct such errors and achieve precise sparse activation. Experiments over multiple popular SLMs and datasets show that our approach can achieve 80% sparsification ratio with <5% model accuracy loss, comparable to the sparse activation achieved in LLMs. The source code is available at: https://github.com/pittisl/Sparse-Activation.

Continuous Geometry-Aware Graph Diffusion via Hyperbolic Neural PDE

While Hyperbolic Graph Neural Network (HGNN) has recently emerged as a powerful tool dealing with hierarchical graph data, the limitations of scalability and efficiency hinder itself from generalizing to deep models. In this paper, by envisioning depth as a continuous-time embedding evolution, we decouple the HGNN and reframe the information propagation as a partial differential equation, letting node-wise attention undertake the role of diffusivity within the Hyperbolic Neural PDE (HPDE). By introducing theoretical principles \textit{e.g.,} field and flow, gradient, divergence, and diffusivity on a non-Euclidean manifold for HPDE integration, we discuss both implicit and explicit discretization schemes to formulate numerical HPDE solvers. Further, we propose the Hyperbolic Graph Diffusion Equation (HGDE) -- a flexible vector flow function that can be integrated to obtain expressive hyperbolic node embeddings. By analyzing potential energy decay of embeddings, we demonstrate that HGDE is capable of modeling both low- and high-order proximity with the benefit of local-global diffusivity functions. Experiments on node classification and link prediction and image-text classification tasks verify the superiority of the proposed method, which consistently outperforms various competitive models by a significant margin.

Tiny Refinements Elicit Resilience: Toward Efficient Prefix-Model Against LLM Red-Teaming

With the proliferation of red-teaming strategies for Large Language Models (LLMs), the deficiency in the literature about improving the safety and robustness of LLM defense strategies is becoming increasingly pronounced. This paper introduces the LLM-based \textbf{sentinel} model as a plug-and-play prefix module designed to reconstruct the input prompt with just a few ($<30$) additional tokens, effectively reducing toxicity in responses from target LLMs. The sentinel model naturally overcomes the \textit{parameter inefficiency} and \textit{limited model accessibility} for fine-tuning large target models. We employ an interleaved training regimen using Proximal Policy Optimization (PPO) to optimize both red team and sentinel models dynamically, incorporating a value head-sharing mechanism inspired by the multi-agent centralized critic to manage the complex interplay between agents. Our extensive experiments across text-to-text and text-to-image demonstrate the effectiveness of our approach in mitigating toxic outputs, even when dealing with larger models like \texttt{Llama-2}, \texttt{GPT-3.5} and \texttt{Stable-Diffusion}, highlighting the potential of our framework in enhancing safety and robustness in various applications.

Boosting Adversarial Training via Fisher-Rao Norm-based Regularization

Adversarial training is extensively utilized to improve the adversarial robustness of deep neural networks. Yet, mitigating the degradation of standard generalization performance in adversarial-trained models remains an open problem. This paper attempts to resolve this issue through the lens of model complexity. First, We leverage the Fisher-Rao norm, a geometrically invariant metric for model complexity, to establish the non-trivial bounds of the Cross-Entropy Loss-based Rademacher complexity for a ReLU-activated Multi-Layer Perceptron. Then we generalize a complexity-related variable, which is sensitive to the changes in model width and the trade-off factors in adversarial training. Moreover, intensive empirical evidence validates that this variable highly correlates with the generalization gap of Cross-Entropy loss between adversarial-trained and standard-trained models, especially during the initial and final phases of the training process. Building upon this observation, we propose a novel regularization framework, called Logit-Oriented Adversarial Training (LOAT), which can mitigate the trade-off between robustness and accuracy while imposing only a negligible increase in computational overhead. Our extensive experiments demonstrate that the proposed regularization strategy can boost the performance of the prevalent adversarial training algorithms, including PGD-AT, TRADES, TRADES (LSE), MART, and DM-AT, across various network architectures. Our code will be available at https://github.com/TrustAI/LOAT.

ReRoGCRL: Representation-based Robustness in Goal-Conditioned Reinforcement Learning

While Goal-Conditioned Reinforcement Learning (GCRL) has gained attention, its algorithmic robustness against adversarial perturbations remains unexplored. The attacks and robust representation training methods that are designed for traditional RL become less effective when applied to GCRL. To address this challenge, we first propose the Semi-Contrastive Representation attack, a novel approach inspired by the adversarial contrastive attack. Unlike existing attacks in RL, it only necessitates information from the policy function and can be seamlessly implemented during deployment. Then, to mitigate the vulnerability of existing GCRL algorithms, we introduce Adversarial Representation Tactics, which combines Semi-Contrastive Adversarial Augmentation with Sensitivity-Aware Regularizer to improve the adversarial robustness of the underlying RL agent against various types of perturbations. Extensive experiments validate the superior performance of our attack and defence methods across multiple state-of-the-art GCRL algorithms. Our tool ReRoGCRL is available at https://github.com/TrustAI/ReRoGCRL.

DIMBA: Discretely Masked Black-Box Attack in Single Object Tracking

The adversarial attack can force a CNN-based model to produce an incorrect output by craftily manipulating human-imperceptible input. Exploring such perturbations can help us gain a deeper understanding of the vulnerability of neural networks, and provide robustness to deep learning against miscellaneous adversaries. Despite extensive studies focusing on the robustness of image, audio, and NLP, works on adversarial examples of visual object tracking -- especially in a black-box manner -- are quite lacking. In this paper, we propose a novel adversarial attack method to generate noises for single object tracking under black-box settings, where perturbations are merely added on initial frames of tracking sequences, which is difficult to be noticed from the perspective of a whole video clip. Specifically, we divide our algorithm into three components and exploit reinforcement learning for localizing important frame patches precisely while reducing unnecessary computational queries overhead. Compared to existing techniques, our method requires fewer queries on initialized frames of a video to manipulate competitive or even better attack performance. We test our algorithm in both long-term and short-term datasets, including OTB100, VOT2018, UAV123, and LaSOT. Extensive experiments demonstrate the effectiveness of our method on three mainstream types of trackers: discrimination, Siamese-based, and reinforcement learning-based trackers.

TempLe: Learning Template of Transitions for Sample Efficient Multi-task RL

Transferring knowledge among various environments is important to efficiently learn multiple tasks online. Most existing methods directly use the previously learned models or previously learned optimal policies to learn new tasks. However, these methods may be inefficient when the underlying models or optimal policies are substantially different across tasks. In this paper, we propose Template Learning (TempLe), the first PAC-MDP method for multi-task reinforcement learning that could be applied to tasks with varying state/action space. TempLe generates transition dynamics templates, abstractions of the transition dynamics across tasks, to gain sample efficiency by extracting similarities between tasks even when their underlying models or optimal policies have limited commonalities. We present two algorithms for an "online" and a "finite-model" setting respectively. We prove that our proposed TempLe algorithms achieve much lower sample complexity than single-task learners or state-of-the-art multi-task methods. We show via systematically designed experiments that our TempLe method universally outperforms the state-of-the-art multi-task methods (PAC-MDP or not) in various settings and regimes.