Abstract:Automating AI research holds immense potential for accelerating scientific progress, yet current AI agents struggle with the complexities of rigorous, end-to-end experimentation. We introduce EXP-Bench, a novel benchmark designed to systematically evaluate AI agents on complete research experiments sourced from influential AI publications. Given a research question and incomplete starter code, EXP-Bench challenges AI agents to formulate hypotheses, design and implement experimental procedures, execute them, and analyze results. To enable the creation of such intricate and authentic tasks with high-fidelity, we design a semi-autonomous pipeline to extract and structure crucial experimental details from these research papers and their associated open-source code. With the pipeline, EXP-Bench curated 461 AI research tasks from 51 top-tier AI research papers. Evaluations of leading LLM-based agents, such as OpenHands and IterativeAgent on EXP-Bench demonstrate partial capabilities: while scores on individual experimental aspects such as design or implementation correctness occasionally reach 20-35%, the success rate for complete, executable experiments was a mere 0.5%. By identifying these bottlenecks and providing realistic step-by-step experiment procedures, EXP-Bench serves as a vital tool for future AI agents to improve their ability to conduct AI research experiments. EXP-Bench is open-sourced at https://github.com/Just-Curieous/Curie/tree/main/benchmark/exp_bench.
Abstract:Multi-agent AI systems (MAS) offer a promising framework for distributed intelligence, enabling collaborative reasoning, planning, and decision-making across autonomous agents. This paper provides a systematic outlook on the current opportunities and challenges of MAS, drawing insights from recent advances in large language models (LLMs), federated optimization, and human-AI interaction. We formalize key concepts including agent topology, coordination protocols, and shared objectives, and identify major risks such as dependency, misalignment, and vulnerabilities arising from training data overlap. Through a biologically inspired simulation and comprehensive theoretical framing, we highlight critical pathways for developing robust, scalable, and secure MAS in real-world settings.
Abstract:Large Reasoning Models (LRMs) introduce a new generation paradigm of explicitly reasoning before answering, leading to remarkable improvements in complex tasks. However, they pose great safety risks against harmful queries and adversarial attacks. While recent mainstream safety efforts on LRMs, supervised fine-tuning (SFT), improve safety performance, we find that SFT-aligned models struggle to generalize to unseen jailbreak prompts. After thorough investigation of LRMs' generation, we identify a safety aha moment that can activate safety reasoning and lead to a safe response. This aha moment typically appears in the `key sentence', which follows models' query understanding process and can indicate whether the model will proceed safely. Based on these insights, we propose SafeKey, including two complementary objectives to better activate the safety aha moment in the key sentence: (1) a Dual-Path Safety Head to enhance the safety signal in the model's internal representations before the key sentence, and (2) a Query-Mask Modeling objective to improve the models' attention on its query understanding, which has important safety hints. Experiments across multiple safety benchmarks demonstrate that our methods significantly improve safety generalization to a wide range of jailbreak attacks and out-of-distribution harmful prompts, lowering the average harmfulness rate by 9.6\%, while maintaining general abilities. Our analysis reveals how SafeKey enhances safety by reshaping internal attention and improving the quality of hidden representations.
Abstract:Despite significant advances in large language models (LLMs), their knowledge memorization capabilities remain underexplored, due to the lack of standardized and high-quality test ground. In this paper, we introduce a novel, real-world and large-scale knowledge injection benchmark that evolves continuously over time without requiring human intervention. Specifically, we propose WikiDYK, which leverages recently-added and human-written facts from Wikipedia's "Did You Know..." entries. These entries are carefully selected by expert Wikipedia editors based on criteria such as verifiability and clarity. Each entry is converted into multiple question-answer pairs spanning diverse task formats from easy cloze prompts to complex multi-hop questions. WikiDYK contains 12,290 facts and 77,180 questions, which is also seamlessly extensible with future updates from Wikipedia editors. Extensive experiments using continued pre-training reveal a surprising insight: despite their prevalence in modern LLMs, Causal Language Models (CLMs) demonstrate significantly weaker knowledge memorization capabilities compared to Bidirectional Language Models (BiLMs), exhibiting a 23% lower accuracy in terms of reliability. To compensate for the smaller scales of current BiLMs, we introduce a modular collaborative framework utilizing ensembles of BiLMs as external knowledge repositories to integrate with LLMs. Experiment shows that our framework further improves the reliability accuracy by up to 29.1%.
Abstract:To survive and thrive in complex environments, humans have evolved sophisticated self-improvement mechanisms through environment exploration, hierarchical abstraction of experiences into reuseable skills, and collaborative construction of an ever-growing skill repertoire. Despite recent advancements, autonomous web agents still lack crucial self-improvement capabilities, struggling with procedural knowledge abstraction, refining skills, and skill composition. In this work, we introduce SkillWeaver, a skill-centric framework enabling agents to self-improve by autonomously synthesizing reusable skills as APIs. Given a new website, the agent autonomously discovers skills, executes them for practice, and distills practice experiences into robust APIs. Iterative exploration continually expands a library of lightweight, plug-and-play APIs, significantly enhancing the agent's capabilities. Experiments on WebArena and real-world websites demonstrate the efficacy of SkillWeaver, achieving relative success rate improvements of 31.8% and 39.8%, respectively. Additionally, APIs synthesized by strong agents substantially enhance weaker agents through transferable skills, yielding improvements of up to 54.3% on WebArena. These results demonstrate the effectiveness of honing diverse website interactions into APIs, which can be seamlessly shared among various web agents.
Abstract:Large Language Models (LLMs) often exhibit substantially shorter effective context lengths than their claimed capacities, especially when handling complex reasoning tasks that require integrating information from multiple parts of a long context and performing multi-step reasoning. Although Chain-of-Thought (CoT) prompting has shown promise in reducing task complexity, our empirical analysis reveals that it does not fully resolve this limitation. Through controlled experiments, we identify poor recall of implicit facts as the primary cause of failure, which significantly hampers reasoning performance. Interestingly, we observe that the internal attention weights from the generated CoT tokens can effectively ground implicit facts, even when these facts are not explicitly recalled. Building on this insight, we propose a novel training-free algorithm, Attrieval, which leverages attention weights to retrieve relevant facts from the long context and incorporates them into the reasoning process. Additionally, we find that selecting context tokens from CoT tokens further improves performance. Our results demonstrate that Attrieval enhances long-context reasoning capability notably on both synthetic and real-world QA datasets with various models.
Abstract:Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating different aspects of the scientific process, automating rigorous experimentation remains a significant challenge. To address this gap, we propose Curie, an AI agent framework designed to embed rigor into the experimentation process through three key components: an intra-agent rigor module to enhance reliability, an inter-agent rigor module to maintain methodical control, and an experiment knowledge module to enhance interpretability. To evaluate Curie, we design a novel experimental benchmark composed of 46 questions across four computer science domains, derived from influential research papers, and widely adopted open-source projects. Compared to the strongest baseline tested, we achieve a 3.4$\times$ improvement in correctly answering experimental questions. Curie is open-sourced at https://github.com/Just-Curieous/Curie.
Abstract:The rapid development of large reasoning models, such as OpenAI-o3 and DeepSeek-R1, has led to significant improvements in complex reasoning over non-reasoning large language models~(LLMs). However, their enhanced capabilities, combined with the open-source access of models like DeepSeek-R1, raise serious safety concerns, particularly regarding their potential for misuse. In this work, we present a comprehensive safety assessment of these reasoning models, leveraging established safety benchmarks to evaluate their compliance with safety regulations. Furthermore, we investigate their susceptibility to adversarial attacks, such as jailbreaking and prompt injection, to assess their robustness in real-world applications. Through our multi-faceted analysis, we uncover four key findings: (1) There is a significant safety gap between the open-source R1 models and the o3-mini model, on both safety benchmark and attack, suggesting more safety effort on R1 is needed. (2) The distilled reasoning model shows poorer safety performance compared to its safety-aligned base models. (3) The stronger the model's reasoning ability, the greater the potential harm it may cause when answering unsafe questions. (4) The thinking process in R1 models pose greater safety concerns than their final answers. Our study provides insights into the security implications of reasoning models and highlights the need for further advancements in R1 models' safety to close the gap.
Abstract:Reasoning abilities of LLMs have been a key focus in recent years. One challenging reasoning domain with interesting nuances is legal reasoning, which requires careful application of rules, and precedents while balancing deductive and analogical reasoning, and conflicts between rules. Although there have been a few works on using LLMs for legal reasoning, their focus has been on overall accuracy. In this paper, we dig deeper to do a step-by-step analysis and figure out where they commit errors. We use the college-level Multiple Choice Question-Answering (MCQA) task from the \textit{Civil Procedure} dataset and propose a new error taxonomy derived from initial manual analysis of reasoning chains with respect to several LLMs, including two objective measures: soundness and correctness scores. We then develop an LLM-based automated evaluation framework to identify reasoning errors and evaluate the performance of LLMs. The computation of soundness and correctness on the dataset using the auto-evaluator framework reveals several interesting insights. Furthermore, we show that incorporating the error taxonomy as feedback in popular prompting techniques marginally increases LLM performance. Our work will also serve as an evaluation framework that can be used in detailed error analysis of reasoning chains for logic-intensive complex tasks.
Abstract:Score distillation of 2D diffusion models has proven to be a powerful mechanism to guide 3D optimization, for example enabling text-based 3D generation or single-view reconstruction. A common limitation of existing score distillation formulations, however, is that the outputs of the (mode-seeking) optimization are limited in diversity despite the underlying diffusion model being capable of generating diverse samples. In this work, inspired by the sampling process in denoising diffusion, we propose a score formulation that guides the optimization to follow generation paths defined by random initial seeds, thus ensuring diversity. We then present an approximation to adopt this formulation for scenarios where the optimization may not precisely follow the generation paths (e.g. a 3D representation whose renderings evolve in a co-dependent manner). We showcase the applications of our `Diverse Score Distillation' (DSD) formulation across tasks such as 2D optimization, text-based 3D inference, and single-view reconstruction. We also empirically validate DSD against prior score distillation formulations and show that it significantly improves sample diversity while preserving fidelity.