1 Pico: A Modular Framework for Hypothesis-Driven Small Language Model Research Building language models (LMs), especially small and medium ones, remains more art than science. While large LMs often improve by sheer scale, it is still unclear why many design choices work. For small LMs, this uncertainty is more limiting: tight parameter budgets make each decision critical, yet researchers still lack systematic, scientific ways to test and refine new ideas. We introduce Pico, a lightweight, modular framework that enables systematic, hypothesis-driven research for small and medium-scale language model development. Pico consists of two libraries that together provide a practical sandbox where researchers can make targeted changes to a model's architecture or training procedures and directly observe their effects on the model's behavior. To support reproducible experimentation, we also release a suite of baseline models, pico-decoder, trained under standardized conditions and open-sourced for the community. Case studies highlight how Pico can support iterative small LM design and analysis. Pico Language Model · Sep 19, 2025
- Bitbox: Behavioral Imaging Toolbox for Computational Analysis of Behavior from Videos Computational measurement of human behavior from video has recently become feasible due to major advances in AI. These advances now enable granular and precise quantification of facial expression, head movement, body action, and other behavioral modalities and are increasingly used in psychology, psychiatry, neuroscience, and mental health research. However, mainstream adoption remains slow. Most existing methods and software are developed for engineering audiences, require specialized software stacks, and fail to provide behavioral measurements at a level directly useful for hypothesis-driven research. As a result, there is a large barrier to entry for researchers who wish to use modern, AI-based tools in their work. We introduce Bitbox, an open-source toolkit designed to remove this barrier and make advanced computational analysis directly usable by behavioral scientists and clinical researchers. Bitbox is guided by principles of reproducibility, modularity, and interpretability. It provides a standardized interface for extracting high-level behavioral measurements from video, leveraging multiple face, head, and body processors. The core modules have been tested and validated on clinical samples and are designed so that new measures can be added with minimal effort. Bitbox is intended to serve both sides of the translational gap. It gives behavioral researchers access to robust, high-level behavioral metrics without requiring engineering expertise, and it provides computer scientists a practical mechanism for disseminating methods to domains where their impact is most needed. We expect that Bitbox will accelerate integration of computational behavioral measurement into behavioral, clinical, and mental health research. Bitbox has been designed from the beginning as a community-driven effort that will evolve through contributions from both method developers and domain scientists. 11 authors · Dec 19, 2025
- From Hypothesis to Publication: A Comprehensive Survey of AI-Driven Research Support Systems Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research. 14 authors · Mar 3, 2025
2 PhysMaster: Building an Autonomous AI Physicist for Theoretical and Computational Physics Research Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on well-defined benchmarks or general tasks like literature retrieval, limiting their end-to-end problem-solving ability in open scientific scenarios. This is particularly true in physics, which is abstract, mathematically intensive, and requires integrating analytical reasoning with code-based computation. To address this, we propose PhysMaster, an LLM-based agent functioning as an autonomous theoretical and computational physicist. PhysMaster couples absract reasoning with numerical computation and leverages LANDAU, the Layered Academic Data Universe, which preserves retrieved literature, curated prior knowledge, and validated methodological traces, enhancing decision reliability and stability. It also employs an adaptive exploration strategy balancing efficiency and open-ended exploration, enabling robust performance in ultra-long-horizon tasks. We evaluate PhysMaster on problems from high-energy theory, condensed matter theory to astrophysics, including: (i) acceleration, compressing labor-intensive research from months to hours; (ii) automation, autonomously executing hypothesis-driven loops ; and (iii) autonomous discovery, independently exploring open problems. 21 authors · Dec 22, 2025
- Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs. 6 authors · Jan 22, 2025
1 Reimagining Urban Science: Scaling Causal Inference with Large Language Models Urban causal research is essential for understanding the complex dynamics of cities and informing evidence-based policies. However, it is challenged by the inefficiency and bias of hypothesis generation, barriers to multimodal data complexity, and the methodological fragility of causal experimentation. Recent advances in large language models (LLMs) present an opportunity to rethink how urban causal analysis is conducted. This Perspective examines current urban causal research by analyzing taxonomies that categorize research topics, data sources, and methodological approaches to identify structural gaps. We then introduce an LLM-driven conceptual framework, AutoUrbanCI, composed of four distinct modular agents responsible for hypothesis generation, data engineering, experiment design and execution, and results interpretation with policy recommendations. We propose evaluation criteria for rigor and transparency and reflect on implications for human-AI collaboration, equity, and accountability. We call for a new research agenda that embraces AI-augmented workflows not as replacements for human expertise but as tools to broaden participation, improve reproducibility, and unlock more inclusive forms of urban causal reasoning. 9 authors · Apr 15, 2025
8 AIDE: AI-Driven Exploration in the Space of Code Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-and-error as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI MLE-Bench and METRs RE-Bench. 7 authors · Feb 18, 2025 6