This paper introduces a new method for adversarial attacks on large language models (LLMs) called the Single-Turn Crescendo Attack (STCA). Building on the multi-turn crescendo attack method introduced by Russinovich, Salem, and Eldan (2024), which gradually escalates the context to provoke harmful responses, the STCA achieves similar outcomes in a single interaction. By condensing the escalation into a single, well-crafted prompt, the STCA bypasses typical moderation filters that LLMs use to prevent inappropriate outputs. This technique reveals vulnerabilities in current LLMs and emphasizes the importance of stronger safeguards in responsible AI (RAI). The STCA offers a novel method that has not been previously explored. Figure 1: A direct prompt asking the model to create sentences with the word "fuck" or generate a hypothetical scenario where a world-renowned musician is related to Hitler, would result in the model rejecting the request outright. However, the STCA enables a more condensed, escalating structure, allowing the model to gradually accept the input and continue the dialogue while bypassing its typical moderation filters. For the above examples, we used just 3 turns within a single STCA prompt to achieve this, referred to as an STCA-3.

In emergency departments, rural hospitals, or clinics in less developed regions, clinicians often lack fast image analysis by trained radiologists, which can have a detrimental effect on patients' healthcare. Large Language Models (LLMs) have the potential to alleviate some pressure from these clinicians by providing insights that can help them in their decision-making. While these LLMs achieve high test results on medical exams showcasing their great theoretical medical knowledge, they tend not to follow medical guidelines. In this work, we introduce a new approach for zero-shot guideline-driven decision support. We model a system of multiple LLM agents augmented with a contrastive vision-language model that collaborate to reach a patient diagnosis. After providing the agents with simple diagnostic guidelines, they will synthesize prompts and screen the image for findings following these guidelines. Finally, they provide understandable chain-of-thought reasoning for their diagnosis, which is then self-refined to consider inter-dependencies between diseases. As our method is zero-shot, it is adaptable to settings with rare diseases, where training data is limited, but expert-crafted disease descriptions are available. We evaluate our method on two chest X-ray datasets, CheXpert and ChestX-ray 14 Longtail, showcasing performance improvement over existing zero-shot methods and generalizability to rare diseases.

Predicting molecular impact on cellular function is a core challenge in therapeutic design. Phenomic experiments, designed to capture cellular morphology, utilize microscopy based techniques and demonstrate a high throughput solution for uncovering molecular impact on the cell. In this work, we learn a joint latent space between molecular structures and microscopy phenomic experiments, aligning paired samples with contrastive learning. Specifically, we study the problem ofContrastive PhenoMolecular Retrieval, which consists of zero-shot molecular structure identification conditioned on phenomic experiments. We assess challenges in multi-modal learning of phenomics and molecular modalities such as experimental batch effect, inactive molecule perturbations, and encoding perturbation concentration. We demonstrate improved multi-modal learner retrieval through (1) a uni-modal pre-trained phenomics model, (2) a novel inter sample similarity aware loss, and (3) models conditioned on a representation of molecular concentration. Following this recipe, we propose MolPhenix, a molecular phenomics model. MolPhenix leverages a pre-trained phenomics model to demonstrate significant performance gains across perturbation concentrations, molecular scaffolds, and activity thresholds. In particular, we demonstrate an 8.1x improvement in zero shot molecular retrieval of active molecules over the previous state-of-the-art, reaching 77.33% in top-1% accuracy. These results open the door for machine learning to be applied in virtual phenomics screening, which can significantly benefit drug discovery applications.

Recently, Retrieval-Augmented Generation (RAG) has achieved remarkable success in addressing the challenges of Large Language Models (LLMs) without necessitating retraining. By referencing an external knowledge base, RAG refines LLM outputs, effectively mitigating issues such as ``hallucination'', lack of domain-specific knowledge, and outdated information. However, the complex structure of relationships among different entities in databases presents challenges for RAG systems. In response, GraphRAG leverages structural information across entities to enable more precise and comprehensive retrieval, capturing relational knowledge and facilitating more accurate, context-aware responses. Given the novelty and potential of GraphRAG, a systematic review of current technologies is imperative. This paper provides the first comprehensive overview of GraphRAG methodologies. We formalize the GraphRAG workflow, encompassing Graph-Based Indexing, Graph-Guided Retrieval, and Graph-Enhanced Generation. We then outline the core technologies and training methods at each stage. Additionally, we examine downstream tasks, application domains, evaluation methodologies, and industrial use cases of GraphRAG. Finally, we explore future research directions to inspire further inquiries and advance progress in the field. In order to track recent progress in this field, we set up a repository at \url{https://github.com/pengboci/GraphRAG-Survey}.

Large Language Models (LLMs) have become indispensable in numerous real-world applications. Unfortunately, fine-tuning these models at scale, especially in federated settings where data privacy and communication efficiency are critical, presents significant challenges. Existing methods often resort to parameter-efficient fine-tuning (PEFT) to mitigate communication overhead, but this typically comes at the cost of model accuracy. To address these limitations, we propose federated full-parameter tuning at scale for LLMs (Ferret), the first first-order method with shared randomness to enable scalable full-parameter tuning of LLMs across decentralized data sources while maintaining competitive model accuracy. Ferret accomplishes this through three aspects: (1) it employs widely applied first-order methods for efficient local updates; (2) it projects these updates into a low-dimensional space to considerably reduce communication overhead; and (3) it reconstructs local updates from this low-dimensional space with shared randomness to facilitate effective full-parameter global aggregation, ensuring fast convergence and competitive final performance. Our rigorous theoretical analyses and insights along with extensive experiments, show that Ferret significantly enhances the scalability of existing federated full-parameter tuning approaches by achieving high computational efficiency, reduced communication overhead, and fast convergence, all while maintaining competitive model accuracy. Our implementation is available at https://github.com/allen4747/Ferret.

As autonomous vehicles become more prevalent, highly accurate and efficient systems are increasingly critical to improve safety, performance, and energy consumption. Efficient management of energy-reliability tradeoffs in these systems demands the ability to predict various conditions during vehicle operations. With the promising improvement of Large Language Models (LLMs) and the emergence of well-known models like ChatGPT, unique opportunities for autonomous vehicle-related predictions have been provided in recent years. This paper proposed MAPS using LLMs as map reader co-drivers to predict the vital parameters to set during the autonomous vehicle operation to balance the energy-reliability tradeoff. The MAPS method demonstrates a 20% improvement in navigation accuracy compared to the best baseline method. MAPS also shows 11% energy savings in computational units and up to 54% in both mechanical and computational units.

This formative study investigates the impact of data quality on AI-assisted data visualizations, focusing on how uncleaned datasets influence the outcomes of these tools. By generating visualizations from datasets with inherent quality issues, the research aims to identify and categorize the specific visualization problems that arise. The study further explores potential methods and tools to address these visualization challenges efficiently and effectively. Although tool development has not yet been undertaken, the findings emphasize enhancing AI visualization tools to handle flawed data better. This research underscores the critical need for more robust, user-friendly solutions that facilitate quicker and easier correction of data and visualization errors, thereby improving the overall reliability and usability of AI-assisted data visualization processes.

Mixture-of-experts (MoEs) have been adopted for reducing inference costs by sparsely activating experts in Large language models (LLMs). Despite this reduction, the massive number of experts in MoEs still makes them expensive to serve. In this paper, we study how to address this, by pruning MoEs. Among pruning methodologies, unstructured pruning has been known to achieve the highest performance for a given pruning ratio, compared to structured pruning, since the latter imposes constraints on the sparsification structure. This is intuitive, as the solution space of unstructured pruning subsumes that of structured pruning. However, our counterintuitive finding reveals that expert pruning, a form of structured pruning, can actually precede unstructured pruning to outperform unstructured-only pruning. As existing expert pruning, requiring $O(\frac{k^n}{\sqrt{n}})$ forward passes for $n$ experts, cannot scale for recent MoEs, we propose a scalable alternative with $O(1)$ complexity, yet outperforming the more expensive methods. The key idea is leveraging a latent structure between experts, based on behavior similarity, such that the greedy decision of whether to prune closely captures the joint pruning effect. Ours is highly effective -- for Snowflake Arctic, a 480B-sized MoE with 128 experts, our method needs only one H100 and two hours to achieve nearly no loss in performance with 40% sparsity, even in generative tasks such as GSM8K, where state-of-the-art unstructured pruning fails to. The code will be made publicly available.

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when multidisciplinary expertise is required. This work demonstrates that large language models (LLMs), coupled with prompt engineering, can effectively generate non-trivial materials hypotheses by integrating scientific principles from diverse sources without explicit design guidance by human experts. These include design ideas for high-entropy alloys with superior cryogenic properties and halide solid electrolytes with enhanced ionic conductivity and formability. These design ideas have been experimentally validated in high-impact publications in 2023 not available in the LLM training data, demonstrating the LLM's ability to generate highly valuable and realizable innovative ideas not established in the literature. Our approach primarily leverages materials system charts encoding processing-structure-property relationships, enabling more effective data integration by condensing key information from numerous papers, and evaluation and categorization of numerous hypotheses for human cognition, both through the LLM. This LLM-driven approach opens the door to new avenues of artificial intelligence-driven materials discovery by accelerating design, democratizing innovation, and expanding capabilities beyond the designer's direct knowledge.

Large language models (LLMs) have shown great potential for automatic code generation and form the basis for various tools such as GitHub Copilot. However, recent studies highlight that many LLM-generated code contains serious security vulnerabilities. While previous work tries to address this by training models that generate secure code, these attempts remain constrained by limited access to training data and labor-intensive data preparation. In this paper, we introduce HexaCoder, a novel approach to enhance the ability of LLMs to generate secure codes by automatically synthesizing secure codes, which reduces the effort of finding suitable training data. HexaCoder comprises two key components: an oracle-guided data synthesis pipeline and a two-step process for secure code generation. The data synthesis pipeline generates pairs of vulnerable and fixed codes for specific Common Weakness Enumeration (CWE) types by utilizing a state-of-the-art LLM for repairing vulnerable code. A security oracle identifies vulnerabilities, and a state-of-the-art LLM repairs them by extending and/or editing the codes, creating data pairs for fine-tuning using the Low-Rank Adaptation (LoRA) method. Each example of our fine-tuning dataset includes the necessary security-related libraries and code that form the basis of our novel two-step generation approach. This allows the model to integrate security-relevant libraries before generating the main code, significantly reducing the number of generated vulnerable codes by up to 85% compared to the baseline methods. We perform extensive evaluations on three different benchmarks for four LLMs, demonstrating that HexaCoder not only improves the security of the generated code but also maintains a high level of functional correctness.