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Apr 21

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

MMSearch: Benchmarking the Potential of Large Models as Multi-modal Search Engines

The advent of Large Language Models (LLMs) has paved the way for AI search engines, e.g., SearchGPT, showcasing a new paradigm in human-internet interaction. However, most current AI search engines are limited to text-only settings, neglecting the multimodal user queries and the text-image interleaved nature of website information. Recently, Large Multimodal Models (LMMs) have made impressive strides. Yet, whether they can function as AI search engines remains under-explored, leaving the potential of LMMs in multimodal search an open question. To this end, we first design a delicate pipeline, MMSearch-Engine, to empower any LMMs with multimodal search capabilities. On top of this, we introduce MMSearch, a comprehensive evaluation benchmark to assess the multimodal search performance of LMMs. The curated dataset contains 300 manually collected instances spanning 14 subfields, which involves no overlap with the current LMMs' training data, ensuring the correct answer can only be obtained within searching. By using MMSearch-Engine, the LMMs are evaluated by performing three individual tasks (requery, rerank, and summarization), and one challenging end-to-end task with a complete searching process. We conduct extensive experiments on closed-source and open-source LMMs. Among all tested models, GPT-4o with MMSearch-Engine achieves the best results, which surpasses the commercial product, Perplexity Pro, in the end-to-end task, demonstrating the effectiveness of our proposed pipeline. We further present error analysis to unveil current LMMs still struggle to fully grasp the multimodal search tasks, and conduct ablation study to indicate the potential of scaling test-time computation for AI search engine. We hope MMSearch may provide unique insights to guide the future development of multimodal AI search engine. Project Page: https://mmsearch.github.io

M4U: Evaluating Multilingual Understanding and Reasoning for Large Multimodal Models

Multilingual multimodal reasoning is a core component in achieving human-level intelligence. However, most existing benchmarks for multilingual multimodal reasoning struggle to differentiate between models of varying performance; even language models without visual capabilities can easily achieve high scores. This leaves a comprehensive evaluation of leading multilingual multimodal models largely unexplored. In this work, we introduce M4U, a novel and challenging benchmark for assessing the capability of multi-discipline multilingual multimodal understanding and reasoning. M4U contains 8,931 samples covering 64 disciplines across 16 subfields in Science, Engineering, and Healthcare in Chinese, English, and German. Using M4U, we conduct extensive evaluations of 21 leading Large Multimodal Models (LMMs) and Large Language Models (LLMs) with external tools. The evaluation results show that the state-of-the-art model, GPT-4o, achieves only 47.6% average accuracy on M4U. Additionally, we observe that the leading LMMs exhibit significant language preferences. Our in-depth analysis indicates that leading LMMs, including GPT-4o, suffer performance degradation when prompted with cross-lingual multimodal questions, such as images with key textual information in Chinese while the question is in German. We believe that M4U can serve as a crucial tool for systematically evaluating LMMs based on their multilingual multimodal reasoning capabilities and monitoring their development. The homepage, codes and data are public available.

AstroMLab 1: Who Wins Astronomy Jeopardy!?

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics. Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. Open-source models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future.

Are large language models superhuman chemists?

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.

KITTI-360: A Novel Dataset and Benchmarks for Urban Scene Understanding in 2D and 3D

For the last few decades, several major subfields of artificial intelligence including computer vision, graphics, and robotics have progressed largely independently from each other. Recently, however, the community has realized that progress towards robust intelligent systems such as self-driving cars requires a concerted effort across the different fields. This motivated us to develop KITTI-360, successor of the popular KITTI dataset. KITTI-360 is a suburban driving dataset which comprises richer input modalities, comprehensive semantic instance annotations and accurate localization to facilitate research at the intersection of vision, graphics and robotics. For efficient annotation, we created a tool to label 3D scenes with bounding primitives and developed a model that transfers this information into the 2D image domain, resulting in over 150k images and 1B 3D points with coherent semantic instance annotations across 2D and 3D. Moreover, we established benchmarks and baselines for several tasks relevant to mobile perception, encompassing problems from computer vision, graphics, and robotics on the same dataset, e.g., semantic scene understanding, novel view synthesis and semantic SLAM. KITTI-360 will enable progress at the intersection of these research areas and thus contribute towards solving one of today's grand challenges: the development of fully autonomous self-driving systems.

CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery

Computer Science (CS) stands as a testament to the intricacies of human intelligence, profoundly advancing the development of artificial intelligence and modern society. However, the current community of large language models (LLMs) overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first bilingual (Chinese-English) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 5K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.

MMIE: Massive Multimodal Interleaved Comprehension Benchmark for Large Vision-Language Models

Interleaved multimodal comprehension and generation, enabling models to produce and interpret both images and text in arbitrary sequences, have become a pivotal area in multimodal learning. Despite significant advancements, the evaluation of this capability remains insufficient. Existing benchmarks suffer from limitations in data scale, scope, and evaluation depth, while current evaluation metrics are often costly or biased, lacking in reliability for practical applications. To address these challenges, we introduce MMIE, a large-scale knowledge-intensive benchmark for evaluating interleaved multimodal comprehension and generation in Large Vision-Language Models (LVLMs). MMIE comprises 20K meticulously curated multimodal queries, spanning 3 categories, 12 fields, and 102 subfields, including mathematics, coding, physics, literature, health, and arts. It supports both interleaved inputs and outputs, offering a mix of multiple-choice and open-ended question formats to evaluate diverse competencies. Moreover, we propose a reliable automated evaluation metric, leveraging a scoring model fine-tuned with human-annotated data and systematic evaluation criteria, aimed at reducing bias and improving evaluation accuracy. Extensive experiments demonstrate the effectiveness of our benchmark and metrics in providing a comprehensive evaluation of interleaved LVLMs. Specifically, we evaluate eight LVLMs, revealing that even the best models show significant room for improvement, with most achieving only moderate results. We believe MMIE will drive further advancements in the development of interleaved LVLMs. We publicly release our benchmark and code in https://mmie-bench.github.io/.

Video-MME: The First-Ever Comprehensive Evaluation Benchmark of Multi-modal LLMs in Video Analysis

In the quest for artificial general intelligence, Multi-modal Large Language Models (MLLMs) have emerged as a focal point in recent advancements. However, the predominant focus remains on developing their capabilities in static image understanding. The potential of MLLMs in processing sequential visual data is still insufficiently explored, highlighting the absence of a comprehensive, high-quality assessment of their performance. In this paper, we introduce Video-MME, the first-ever full-spectrum, Multi-Modal Evaluation benchmark of MLLMs in Video analysis. Our work distinguishes from existing benchmarks through four key features: 1) Diversity in video types, spanning 6 primary visual domains with 30 subfields to ensure broad scenario generalizability; 2) Duration in temporal dimension, encompassing both short-, medium-, and long-term videos, ranging from 11 seconds to 1 hour, for robust contextual dynamics; 3) Breadth in data modalities, integrating multi-modal inputs besides video frames, including subtitles and audios, to unveil the all-round capabilities of MLLMs; 4) Quality in annotations, utilizing rigorous manual labeling by expert annotators to facilitate precise and reliable model assessment. 900 videos with a total of 256 hours are manually selected and annotated by repeatedly viewing all the video content, resulting in 2,700 question-answer pairs. With Video-MME, we extensively evaluate various state-of-the-art MLLMs, including GPT-4 series and Gemini 1.5 Pro, as well as open-source image models like InternVL-Chat-V1.5 and video models like LLaVA-NeXT-Video. Our experiments reveal that Gemini 1.5 Pro is the best-performing commercial model, significantly outperforming the open-source models. Our dataset along with these findings underscores the need for further improvements in handling longer sequences and multi-modal data. Project Page: https://video-mme.github.io

Improved baselines for vision-language pre-training

Contrastive learning has emerged as an efficient framework to learn multimodal representations. CLIP, a seminal work in this area, achieved impressive results by training on paired image-text data using the contrastive loss. Recent work claims improvements over CLIP using additional non-contrastive losses inspired from self-supervised learning. However, it is sometimes hard to disentangle the contribution of these additional losses from other implementation details, e.g., data augmentation or regularization techniques, used to train the model. To shed light on this matter, in this paper, we first propose, implement and evaluate several baselines obtained by combining contrastive learning with recent advances in self-supervised learning. In particular, we use the loss functions that were proven successful for visual self-supervised learning to align image and text modalities. We find that these baselines outperform a basic implementation of CLIP. However, when a stronger training recipe is employed, the advantage disappears. Indeed, we find that a simple CLIP baseline can also be improved substantially, up to a 25% relative improvement on downstream zero-shot tasks, by using well-known training techniques that are popular in other subfields. Moreover, we discover that it is enough to apply image and text augmentations to make up for most of the improvement attained by prior works. With our improved training recipe for CLIP, we obtain state-of-the-art performance on four standard datasets, and consistently outperform prior work (up to +4% on the largest dataset), while being substantially simpler.

Towards Trustworthy and Aligned Machine Learning: A Data-centric Survey with Causality Perspectives

The trustworthiness of machine learning has emerged as a critical topic in the field, encompassing various applications and research areas such as robustness, security, interpretability, and fairness. The last decade saw the development of numerous methods addressing these challenges. In this survey, we systematically review these advancements from a data-centric perspective, highlighting the shortcomings of traditional empirical risk minimization (ERM) training in handling challenges posed by the data. Interestingly, we observe a convergence of these methods, despite being developed independently across trustworthy machine learning subfields. Pearl's hierarchy of causality offers a unifying framework for these techniques. Accordingly, this survey presents the background of trustworthy machine learning development using a unified set of concepts, connects this language to Pearl's causal hierarchy, and finally discusses methods explicitly inspired by causality literature. We provide a unified language with mathematical vocabulary to link these methods across robustness, adversarial robustness, interpretability, and fairness, fostering a more cohesive understanding of the field. Further, we explore the trustworthiness of large pretrained models. After summarizing dominant techniques like fine-tuning, parameter-efficient fine-tuning, prompting, and reinforcement learning with human feedback, we draw connections between them and the standard ERM. This connection allows us to build upon the principled understanding of trustworthy methods, extending it to these new techniques in large pretrained models, paving the way for future methods. Existing methods under this perspective are also reviewed. Lastly, we offer a brief summary of the applications of these methods and discuss potential future aspects related to our survey. For more information, please visit http://trustai.one.