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Honegumi: An Interface for Accelerating the Adoption of Bayesian Optimization in the Experimental Sciences

arXiv.org Artificial Intelligence

Bayesian optimization (BO) has emerged as a powerful tool for guiding experimental design and decision- making in various scientific fields, including materials science, chemistry, and biology. However, despite its growing popularity, the complexity of existing BO libraries and the steep learning curve associated with them can deter researchers who are not well-versed in machine learning or programming. To address this barrier, we introduce Honegumi, a user-friendly, interactive tool designed to simplify the process of creating advanced Bayesian optimization scripts. Honegumi offers a dynamic selection grid that allows users to configure key parameters of their optimization tasks, generating ready-to-use, unit-tested Python scripts tailored to their specific needs. Accompanying the interface is a comprehensive suite of tutorials that provide both conceptual and practical guidance, bridging the gap between theoretical understanding and practical implementation. Built on top of the Ax platform, Honegumi leverages the power of existing state-of-the-art libraries while restructuring the user experience to make advanced BO techniques more accessible to experimental researchers. By lowering the barrier to entry and providing educational resources, Honegumi aims to accelerate the adoption of advanced Bayesian optimization methods across various domains.


LoCA: Location-Aware Cosine Adaptation for Parameter-Efficient Fine-Tuning

arXiv.org Artificial Intelligence

Low-rank adaptation (LoRA) has become a prevalent method for adapting pre-trained large language models to downstream tasks. However, the simple low-rank decomposition form may constrain the hypothesis space. To address this limitation, we introduce Location-aware Cosine Adaptation (LoCA), a novel frequency-domain parameter-efficient fine-tuning method based on inverse Discrete Cosine Transform (iDCT) with selective locations of learnable components. We begin with a comprehensive theoretical comparison between frequency-domain and low-rank decompositions for fine-tuning pre-trained large models. Our analysis reveals that frequency-domain approximation with carefully selected frequency components can surpass the expressivity of traditional low-rank-based methods. Furthermore, we demonstrate that iDCT offers a more efficient implementation compared to inverse Discrete Fourier Transform (iDFT), allowing for better selection and tuning of frequency components while maintaining equivalent expressivity to the optimal iDFT-based adaptation. By employing finite-difference approximation to estimate gradients for discrete locations of learnable coefficients on the DCT spectrum, LoCA dynamically selects the most informative frequency components during training. Experiments on diverse language and vision fine-tuning tasks demonstrate that LoCA offers enhanced parameter efficiency while maintains computational feasibility comparable to low-rank-based methods.


SmolLM2: When Smol Goes Big -- Data-Centric Training of a Small Language Model

arXiv.org Artificial Intelligence

While large language models have facilitated breakthroughs in many applications of artificial intelligence, their inherent largeness makes them computationally expensive and challenging to deploy in resource-constrained settings. In this paper, we document the development of SmolLM2, a state-of-the-art "small" (1.7 billion parameter) language model (LM). To attain strong performance, we overtrain SmolLM2 on ~11 trillion tokens of data using a multi-stage training process that mixes web text with specialized math, code, and instruction-following data. We additionally introduce new specialized datasets (FineMath, Stack-Edu, and SmolTalk) at stages where we found existing datasets to be problematically small or low-quality. To inform our design decisions, we perform both small-scale ablations as well as a manual refinement process that updates the dataset mixing rates at each stage based on the performance at the previous stage. Ultimately, we demonstrate that SmolLM2 outperforms other recent small LMs including Qwen2.5-1.5B and Llama3.2-1B. To facilitate future research on LM development as well as applications of small LMs, we release both SmolLM2 as well as all of the datasets we prepared in the course of this project.


NER4all or Context is All You Need: Using LLMs for low-effort, high-performance NER on historical texts. A humanities informed approach

arXiv.org Artificial Intelligence

Named entity recognition (NER) is a core task for historical research in automatically establishing all references to people, places, events and the like. Yet, do to the high linguistic and genre diversity of sources, only limited canonisation of spellings, the level of required historical domain knowledge, and the scarcity of annotated training data, established approaches to natural language processing (NLP) have been both extremely expensive and yielded only unsatisfactory results in terms of recall and precision. Our paper introduces a new approach. We demonstrate how readily-available, state-of-the-art LLMs significantly outperform two leading NLP frameworks, spaCy and flair, for NER in historical documents by seven to twentytwo percent higher F1-Scores. Our ablation study shows how providing historical context to the task and a bit of persona modelling that turns focus away from a purely linguistic approach are core to a successful prompting strategy. We also demonstrate that, contrary to our expectations, providing increasing numbers of examples in few-shot approaches does not improve recall or precision below a threshold of 16-shot. In consequence, our approach democratises access to NER for all historians by removing the barrier of scripting languages and computational skills required for established NLP tools and instead leveraging natural language prompts and consumer-grade tools and frontends.


Artificial Intelligence and Legal Analysis: Implications for Legal Education and the Profession

arXiv.org Artificial Intelligence

LLMs were tested on legal reasoning tasks involving rule analysis and analogical reasoning. The results show that LLMs can conduct basic IRAC analysis, but are limited by brief responses lacking detail, an inability to commit to answers, false confidence, and hallucinations. The study compares legal and non-legal LLMs, identifies shortcomings, and explores traits that may hinder their ability to "think like a lawyer."


Position: Multimodal Large Language Models Can Significantly Advance Scientific Reasoning

arXiv.org Artificial Intelligence

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite significant progress, current scientific reasoning models still struggle with generalization across domains and often fall short of multimodal perception. Multimodal Large Language Models (MLLMs), which integrate text, images, and other modalities, present an exciting opportunity to overcome these limitations and enhance scientific reasoning. Therefore, this position paper argues that MLLMs can significantly advance scientific reasoning across disciplines such as mathematics, physics, chemistry, and biology. First, we propose a four-stage research roadmap of scientific reasoning capabilities, and highlight the current state of MLLM applications in scientific reasoning, noting their ability to integrate and reason over diverse data types. Second, we summarize the key challenges that remain obstacles to achieving MLLM's full potential. To address these challenges, we propose actionable insights and suggestions for the future. Overall, our work offers a novel perspective on MLLM integration with scientific reasoning, providing the LLM community with a valuable vision for achieving Artificial General Intelligence (AGI).


Teaching Language Models to Critique via Reinforcement Learning

arXiv.org Artificial Intelligence

Teaching large language models (LLMs) to critique and refine their outputs is crucial for building systems that can iteratively improve, yet it is fundamentally limited by the ability to provide accurate judgments and actionable suggestions. In this work, we study LLM critics for code generation and propose $\texttt{CTRL}$, a framework for $\texttt{C}$ritic $\texttt{T}$raining via $\texttt{R}$einforcement $\texttt{L}$earning, which trains a critic model to generate feedback that maximizes correction performance for a fixed generator model without human supervision. Our results demonstrate that critics trained with $\texttt{CTRL}$ significantly enhance pass rates and mitigate compounding errors across both base and stronger generator models. Furthermore, we show that these critic models act as accurate generative reward models and enable test-time scaling through iterative critique-revision, achieving up to 106.1% relative improvements across challenging code generation benchmarks.


Diff9D: Diffusion-Based Domain-Generalized Category-Level 9-DoF Object Pose Estimation

arXiv.org Artificial Intelligence

Nine-degrees-of-freedom (9-DoF) object pose and size estimation is crucial for enabling augmented reality and robotic manipulation. Category-level methods have received extensive research attention due to their potential for generalization to intra-class unknown objects. However, these methods require manual collection and labeling of large-scale real-world training data. To address this problem, we introduce a diffusion-based paradigm for domain-generalized category-level 9-DoF object pose estimation. Our motivation is to leverage the latent generalization ability of the diffusion model to address the domain generalization challenge in object pose estimation. This entails training the model exclusively on rendered synthetic data to achieve generalization to real-world scenes. We propose an effective diffusion model to redefine 9-DoF object pose estimation from a generative perspective. Our model does not require any 3D shape priors during training or inference. By employing the Denoising Diffusion Implicit Model, we demonstrate that the reverse diffusion process can be executed in as few as 3 steps, achieving near real-time performance. Finally, we design a robotic grasping system comprising both hardware and software components. Through comprehensive experiments on two benchmark datasets and the real-world robotic system, we show that our method achieves state-of-the-art domain generalization performance. Our code will be made public at https://github.com/CNJianLiu/Diff9D.


Hierarchical Sparse Bayesian Multitask Model with Scalable Inference for Microbiome Analysis

arXiv.org Artificial Intelligence

This paper proposes a hierarchical Bayesian multitask learning model that is applicable to the general multi-task binary classification learning problem where the model assumes a shared sparsity structure across different tasks. We derive a computationally efficient inference algorithm based on variational inference to approximate the posterior distribution. We demonstrate the potential of the new approach on various synthetic datasets and for predicting human health status based on microbiome profile. Our analysis incorporates data pooled from multiple microbiome studies, along with a comprehensive comparison with other benchmark methods. Results in synthetic datasets show that the proposed approach has superior support recovery property when the underlying regression coefficients share a common sparsity structure across different tasks. Our experiments on microbiome classification demonstrate the utility of the method in extracting informative taxa while providing well-calibrated predictions with uncertainty quantification and achieving competitive performance in terms of prediction metrics. Notably, despite the heterogeneity of the pooled datasets (e.g., different experimental objectives, laboratory setups, sequencing equipment, patient demographics), our method delivers robust results.


A Decade of Action Quality Assessment: Largest Systematic Survey of Trends, Challenges, and Future Directions

arXiv.org Artificial Intelligence

Action Quality Assessment (AQA) -- the ability to quantify the quality of human motion, actions, or skill levels and provide feedback -- has far-reaching implications in areas such as low-cost physiotherapy, sports training, and workforce development. As such, it has become a critical field in computer vision & video understanding over the past decade. Significant progress has been made in AQA methodologies, datasets, & applications, yet a pressing need remains for a comprehensive synthesis of this rapidly evolving field. In this paper, we present a thorough survey of the AQA landscape, systematically reviewing over 200 research papers using the preferred reporting items for systematic reviews & meta-analyses (PRISMA) framework. We begin by covering foundational concepts & definitions, then move to general frameworks & performance metrics, & finally discuss the latest advances in methodologies & datasets. This survey provides a detailed analysis of research trends, performance comparisons, challenges, & future directions. Through this work, we aim to offer a valuable resource for both newcomers & experienced researchers, promoting further exploration & progress in AQA. Data are available at https://haoyin116.github.io/Survey_of_AQA/