Daily Papers

The volume of data from current and future observatories has motivated the increased development and application of automated machine learning methodologies for astronomy. However, less attention has been given to the production of standardised datasets for assessing the performance of different machine learning algorithms within astronomy and astrophysics. Here we describe in detail the MiraBest dataset, a publicly available batched dataset of 1256 radio-loud AGN from NVSS and FIRST, filtered to 0.03 < z < 0.1, manually labelled by Miraghaei and Best (2017) according to the Fanaroff-Riley morphological classification, created for machine learning applications and compatible for use with standard deep learning libraries. We outline the principles underlying the construction of the dataset, the sample selection and pre-processing methodology, dataset structure and composition, as well as a comparison of MiraBest to other datasets used in the literature. Existing applications that utilise the MiraBest dataset are reviewed, and an extended dataset of 2100 sources is created by cross-matching MiraBest with other catalogues of radio-loud AGN that have been used more widely in the literature for machine learning applications.

We introduce small-text, an easy-to-use active learning library, which offers pool-based active learning for single- and multi-label text classification in Python. It features numerous pre-implemented state-of-the-art query strategies, including some that leverage the GPU. Standardized interfaces allow the combination of a variety of classifiers, query strategies, and stopping criteria, facilitating a quick mix and match, and enabling a rapid and convenient development of both active learning experiments and applications. With the objective of making various classifiers and query strategies accessible for active learning, small-text integrates several well-known machine learning libraries, namely scikit-learn, PyTorch, and Hugging Face transformers. The latter integrations are optionally installable extensions, so GPUs can be used but are not required. Using this new library, we investigate the performance of the recently published SetFit training paradigm, which we compare to vanilla transformer fine-tuning, finding that it matches the latter in classification accuracy while outperforming it in area under the curve. The library is available under the MIT License at https://github.com/webis-de/small-text, in version 1.3.0 at the time of writing.

We present a novel architecture, In-Database Entity Linking (IDEL), in which we integrate the analytics-optimized RDBMS MonetDB with neural text mining abilities. Our system design abstracts core tasks of most neural entity linking systems for MonetDB. To the best of our knowledge, this is the first defacto implemented system integrating entity-linking in a database. We leverage the ability of MonetDB to support in-database-analytics with user defined functions (UDFs) implemented in Python. These functions call machine learning libraries for neural text mining, such as TensorFlow. The system achieves zero cost for data shipping and transformation by utilizing MonetDB's ability to embed Python processes in the database kernel and exchange data in NumPy arrays. IDEL represents text and relational data in a joint vector space with neural embeddings and can compensate errors with ambiguous entity representations. For detecting matching entities, we propose a novel similarity function based on joint neural embeddings which are learned via minimizing pairwise contrastive ranking loss. This function utilizes a high dimensional index structures for fast retrieval of matching entities. Our first implementation and experiments using the WebNLG corpus show the effectiveness and the potentials of IDEL.

PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices, supporting both qubit and continuous-variable paradigms. PennyLane's core feature is the ability to compute gradients of variational quantum circuits in a way that is compatible with classical techniques such as backpropagation. PennyLane thus extends the automatic differentiation algorithms common in optimization and machine learning to include quantum and hybrid computations. A plugin system makes the framework compatible with any gate-based quantum simulator or hardware. We provide plugins for hardware providers including the Xanadu Cloud, Amazon Braket, and IBM Quantum, allowing PennyLane optimizations to be run on publicly accessible quantum devices. On the classical front, PennyLane interfaces with accelerated machine learning libraries such as TensorFlow, PyTorch, JAX, and Autograd. PennyLane can be used for the optimization of variational quantum eigensolvers, quantum approximate optimization, quantum machine learning models, and many other applications.

Yggdrasil Decision Forests is a library for the training, serving and interpretation of decision forest models, targeted both at research and production work, implemented in C++, and available in C++, command line interface, Python (under the name TensorFlow Decision Forests), JavaScript, Go, and Google Sheets (under the name Simple ML for Sheets). The library has been developed organically since 2018 following a set of four design principles applicable to machine learning libraries and frameworks: simplicity of use, safety of use, modularity and high-level abstraction, and integration with other machine learning libraries. In this paper, we describe those principles in detail and present how they have been used to guide the design of the library. We then showcase the use of our library on a set of classical machine learning problems. Finally, we report a benchmark comparing our library to related solutions.

Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical challenges, as it involves combining very different mathematical foundations, as well as software ecosystems that are very well developed in their own merit, but do not share many commonalities. To address these issues and facilitate the adoption of ML in atomistic simulations, we introduce two dedicated software libraries. The first one, metatensor, provides multi-platform and multi-language storage and manipulation of arrays with many potentially sparse indices, designed from the ground up for atomistic ML applications. By combining the actual values with metadata that describes their nature and that facilitates the handling of geometric information and gradients with respect to the atomic positions, metatensor provides a common framework to enable data sharing between ML software -- typically written in Python -- and established atomistic modeling tools -- typically written in Fortran, C or C++. The second library, metatomic, provides an interface to store an atomistic ML model and metadata about this model in a portable way, facilitating the implementation, training and distribution of models, and their use across different simulation packages. We showcase a growing ecosystem of tools, from low-level libraries, training utilities, to interfaces with existing software packages that demonstrate the effectiveness of metatensor and metatomic in bridging the gap between traditional simulation software and modern ML frameworks.

Large language models have shown promising performance in code generation benchmarks. However, a considerable divide exists between these benchmark achievements and their practical applicability, primarily attributed to real-world programming's reliance on pre-existing libraries. Instead of evaluating LLMs to code from scratch, this work aims to propose a new evaluation setup where LLMs use open-source libraries to finish machine learning tasks. Therefore, we propose ML-Bench, an expansive benchmark developed to assess the effectiveness of LLMs in leveraging existing functions in open-source libraries. Consisting of 10044 samples spanning 130 tasks over 14 notable machine learning GitHub repositories. In this setting, given a specific machine learning task instruction and the accompanying README in a codebase, an LLM is tasked to generate code to accomplish the task. This necessitates the comprehension of long and language-code interleaved documents, as well as the understanding of complex cross-file code structures, introducing new challenges. Notably, while GPT-4 exhibits remarkable improvement over other LLMs, it manages to accomplish only 39.73\% of the tasks, leaving a huge space for improvement. We address these challenges by proposing ML-Agent, designed to effectively navigate the codebase, locate documentation, retrieve code, and generate executable code. Empirical results demonstrate that ML-Agent, built upon GPT-4, results in further improvements. Code, data, and models are available at https://ml-bench.github.io/.

Machine learning on graphs has been extensively studied in both academic and industry. However, as the literature on graph learning booms with a vast number of emerging methods and techniques, it becomes increasingly difficult to manually design the optimal machine learning algorithm for different graph-related tasks. To solve this critical challenge, automated machine learning (AutoML) on graphs which combines the strength of graph machine learning and AutoML together, is gaining attention from the research community. Therefore, we comprehensively survey AutoML on graphs in this paper, primarily focusing on hyper-parameter optimization (HPO) and neural architecture search (NAS) for graph machine learning. We further overview libraries related to automated graph machine learning and in-depth discuss AutoGL, the first dedicated open-source library for AutoML on graphs. In the end, we share our insights on future research directions for automated graph machine learning. This paper is the first systematic and comprehensive review of automated machine learning on graphs to the best of our knowledge.

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

Edge Computing (EC) has gained significant traction in recent years, promising enhanced efficiency by integrating Artificial Intelligence (AI) capabilities at the edge. While the focus has primarily been on the deployment and inference of Machine Learning (ML) models at the edge, the training aspect remains less explored. This survey delves into Edge Learning (EL), specifically the optimization of ML model training at the edge. The objective is to comprehensively explore diverse approaches and methodologies in EL, synthesize existing knowledge, identify challenges, and highlight future trends. Utilizing Scopus' advanced search, relevant literature on EL was identified, revealing a concentration of research efforts in distributed learning methods, particularly Federated Learning (FL). This survey further provides a guideline for comparing techniques used to optimize ML for edge learning, along with an exploration of different frameworks, libraries, and simulation tools available for EL. In doing so, the paper contributes to a holistic understanding of the current landscape and future directions in the intersection of edge computing and machine learning, paving the way for informed comparisons between optimization methods and techniques designed for edge learning.

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when implementing new approaches and improve reproducibility in ML research. YAMLE includes a command-line interface and integrations with popular and well-maintained PyTorch-based libraries to streamline training, hyperparameter optimisation, and logging. The ambition for YAMLE is to grow into a shared ecosystem where researchers and practitioners can quickly build on and compare existing implementations. Find it at: https://github.com/martinferianc/yamle.

In the past few years, more and more AI applications have been applied to edge devices. However, models trained by data scientists with machine learning frameworks, such as PyTorch or TensorFlow, can not be seamlessly executed on edge. In this paper, we develop an end-to-end code generator parsing a pre-trained model to C source libraries for the backend using MicroTVM, a machine learning compiler framework extension addressing inference on bare metal devices. An analysis shows that specific compute-intensive operators can be easily offloaded to the dedicated accelerator with a Universal Modular Accelerator (UMA) interface, while others are processed in the CPU cores. By using the automatically generated ahead-of-time C runtime, we conduct a hand gesture recognition experiment on an ARM Cortex M4F core.

With the emergence of remote code execution (RCE) vulnerabilities in ubiquitous libraries and advanced social engineering techniques, threat actors have started conducting widespread fileless cryptojacking attacks. These attacks have become effective with stealthy techniques based on PowerShell-based exploitation in Windows OS environments. Even if attacks are detected and malicious scripts removed, processes may remain operational on victim endpoints, creating a significant challenge for detection mechanisms. In this paper, we conducted an experimental study with a collected dataset on detecting PowerShell-based fileless cryptojacking scripts. The results showed that Abstract Syntax Tree (AST)-based fine-tuned CodeBERT achieved a high recall rate, proving the importance of the use of AST integration and fine-tuned pre-trained models for programming language.

As Machine Learning technologies become increasingly used in contexts that affect citizens, companies as well as researchers need to be confident that their application of these methods will not have unexpected social implications, such as bias towards gender, ethnicity, and/or people with disabilities. There is significant literature on approaches to mitigate bias and promote fairness, yet the area is complex and hard to penetrate for newcomers to the domain. This article seeks to provide an overview of the different schools of thought and approaches to mitigating (social) biases and increase fairness in the Machine Learning literature. It organises approaches into the widely accepted framework of pre-processing, in-processing, and post-processing methods, subcategorizing into a further 11 method areas. Although much of the literature emphasizes binary classification, a discussion of fairness in regression, recommender systems, unsupervised learning, and natural language processing is also provided along with a selection of currently available open source libraries. The article concludes by summarising open challenges articulated as four dilemmas for fairness research.

Reproducibility in scientific work has been becoming increasingly important in research communities such as machine learning, natural language processing, and computer vision communities due to the rapid development of the research domains supported by recent advances in deep learning. In this work, we present a significantly upgraded version of torchdistill, a modular-driven coding-free deep learning framework significantly upgraded from the initial release, which supports only image classification and object detection tasks for reproducible knowledge distillation experiments. To demonstrate that the upgraded framework can support more tasks with third-party libraries, we reproduce the GLUE benchmark results of BERT models using a script based on the upgraded torchdistill, harmonizing with various Hugging Face libraries. All the 27 fine-tuned BERT models and configurations to reproduce the results are published at Hugging Face, and the model weights have already been widely used in research communities. We also reimplement popular small-sized models and new knowledge distillation methods and perform additional experiments for computer vision tasks.

A growing body of work shows that many problems in fairness, accountability, transparency, and ethics in machine learning systems are rooted in decisions surrounding the data collection and annotation process. In spite of its fundamental nature however, data collection remains an overlooked part of the machine learning (ML) pipeline. In this paper, we argue that a new specialization should be formed within ML that is focused on methodologies for data collection and annotation: efforts that require institutional frameworks and procedures. Specifically for sociocultural data, parallels can be drawn from archives and libraries. Archives are the longest standing communal effort to gather human information and archive scholars have already developed the language and procedures to address and discuss many challenges pertaining to data collection such as consent, power, inclusivity, transparency, and ethics & privacy. We discuss these five key approaches in document collection practices in archives that can inform data collection in sociocultural ML. By showing data collection practices from another field, we encourage ML research to be more cognizant and systematic in data collection and draw from interdisciplinary expertise.

Jupyter notebooks are widely used for machine learning (ML) prototyping. Yet few debugging tools are designed for ML code in notebooks, potentially due to the lack of benchmarks. We introduce JunoBench, the first benchmark dataset of real-world crashes in Python-based ML notebooks. JunoBench has 111 curated and reproducible crashes from public Kaggle notebooks, each paired with a verifiable fix, ranging over popular ML libraries, including TensorFlow/Keras, PyTorch, Scikit-learn, Pandas, and NumPy, as well as notebook-specific out-of-order execution issue. To support reproducibility and ease of use, JunoBench offers a unified execution environment where crashes and fixes can be reliably reproduced. By providing realistic crashes and their resolutions, JunoBench facilitates bug detection, localization, and repair tailored to the interactive and iterative nature of notebook-based ML development.

Machine learning (ML) has been increasingly used in a variety of domains, while solving ML programming tasks poses unique challenges because of the fundamentally different nature and construction from general programming tasks, especially for developers who do not have ML backgrounds. Automatic code generation that produces a code snippet from a natural language description can be a promising technique to accelerate ML programming tasks. In recent years, although many deep learning-based neural code generation models have been proposed with high accuracy, the fact that most of them are mainly evaluated on general programming tasks calls into question their effectiveness and usefulness in ML programming tasks. In this paper, we set out to investigate the effectiveness of existing neural code generation models on ML programming tasks. For our analysis, we select six state-of-the-art neural code generation models, and evaluate their performance on four widely used ML libraries, with newly-created 83K pairs of natural-language described ML programming tasks. Our empirical study reveals some good, bad, and missing aspects of neural code generation models on ML tasks, with a few major ones listed below. (Good) Neural code generation models perform significantly better on ML tasks than on non-ML tasks. (Bad) Most of the generated code is semantically incorrect. (Bad) Code generation models cannot significantly improve developers' completion time. (Good) The generated code can help developers write more correct code by providing developers with clues for using correct APIs. (Missing) The observation from our user study reveals the missing aspects of code generation for ML tasks, e.g., decomposing code generation for divide-and-conquer into two tasks: API sequence identification and API usage generation.

Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style that supports code as a model, makes debugging easy and is consistent with other popular scientific computing libraries, while remaining efficient and supporting hardware accelerators such as GPUs. In this paper, we detail the principles that drove the implementation of PyTorch and how they are reflected in its architecture. We emphasize that every aspect of PyTorch is a regular Python program under the full control of its user. We also explain how the careful and pragmatic implementation of the key components of its runtime enables them to work together to achieve compelling performance. We demonstrate the efficiency of individual subsystems, as well as the overall speed of PyTorch on several common benchmarks.

We present the first comprehensive Lean 4 formalization of statistical learning theory (SLT) grounded in empirical process theory. Our end-to-end formal infrastructure implement the missing contents in latest Lean 4 Mathlib library, including a complete development of Gaussian Lipschitz concentration, the first formalization of Dudley's entropy integral theorem for sub-Gaussian processes, and an application to least-squares (sparse) regression with a sharp rate. The project was carried out using a human-AI collaborative workflow, in which humans design proof strategies and AI agents execute tactical proof construction, leading to the human-verified Lean 4 toolbox for SLT. Beyond implementation, the formalization process exposes and resolves implicit assumptions and missing details in standard SLT textbooks, enforcing a granular, line-by-line understanding of the theory. This work establishes a reusable formal foundation and opens the door for future developments in machine learning theory. The code is available at https://github.com/YuanheZ/lean-stat-learning-theory

Today's most advanced machine-learning models are hardly scrutable. The key challenge for explainability methods is to help assisting researchers in opening up these black boxes, by revealing the strategy that led to a given decision, by characterizing their internal states or by studying the underlying data representation. To address this challenge, we have developed Xplique: a software library for explainability which includes representative explainability methods as well as associated evaluation metrics. It interfaces with one of the most popular learning libraries: Tensorflow as well as other libraries including PyTorch, scikit-learn and Theano. The code is licensed under the MIT license and is freely available at github.com/deel-ai/xplique.

Advanced compiler technology is crucial for enabling machine learning applications to run on novel hardware, but traditional compilers fail to deliver performance, popular auto-tuners have long search times and expert-optimized libraries introduce unsustainable costs. To address this, we developed LoopTune, a deep reinforcement learning compiler that optimizes tensor computations in deep learning models for the CPU. LoopTune optimizes tensor traversal order while using the ultra-fast lightweight code generator LoopNest to perform hardware-specific optimizations. With a novel graph-based representation and action space, LoopTune speeds up LoopNest by 3.2x, generating an order of magnitude faster code than TVM, 2.8x faster than MetaSchedule, and 1.08x faster than AutoTVM, consistently performing at the level of the hand-tuned library Numpy. Moreover, LoopTune tunes code in order of seconds.

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

A large scale collection of both semantic and natural language resources is essential to leverage active Software Engineering research areas such as code reuse and code comprehensibility. Existing machine learning models ingest data from Open Source repositories (like GitHub projects) and forum discussions (like Stackoverflow.com), whereas, in this showcase, we took a step backward to orchestrate a corpus titled PyTorrent that contains 218,814 Python package libraries from PyPI and Anaconda environment. This is because earlier studies have shown that much of the code is redundant and Python packages from these environments are better in quality and are well-documented. PyTorrent enables users (such as data scientists, students, etc.) to build off the shelf machine learning models directly without spending months of effort on large infrastructure. The dataset, schema and a pretrained language model is available at: https://github.com/fla-sil/PyTorrent

Advancements in large language models (LLMs) have unlocked remarkable capabilities. While deploying these models typically requires server-grade GPUs and cloud-based inference, the recent emergence of smaller open-source models and increasingly powerful consumer devices have made on-device deployment practical. The web browser as a platform for on-device deployment is universally accessible, provides a natural agentic environment, and conveniently abstracts out the different backends from diverse device vendors. To address this opportunity, we introduce WebLLM, an open-source JavaScript framework that enables high-performance LLM inference entirely within web browsers. WebLLM provides an OpenAI-style API for seamless integration into web applications, and leverages WebGPU for efficient local GPU acceleration and WebAssembly for performant CPU computation. With machine learning compilers MLC-LLM and Apache TVM, WebLLM leverages optimized WebGPU kernels, overcoming the absence of performant WebGPU kernel libraries. Evaluations show that WebLLM can retain up to 80% native performance on the same device, with room to further close the gap. WebLLM paves the way for universally accessible, privacy-preserving, personalized, and locally powered LLM applications in web browsers. The code is available at: https://github.com/mlc-ai/web-llm.

Current tools for machine learning fairness only admit a limited range of fairness definitions and have seen little integration with automatic differentiation libraries, despite the central role these libraries play in modern machine learning pipelines. We introduce a framework of fairness regularization terms (fairrets) which quantify bias as modular objectives that are easily integrated in automatic differentiation pipelines. By employing a general definition of fairness in terms of linear-fractional statistics, a wide class of fairrets can be computed efficiently. Experiments show the behavior of their gradients and their utility in enforcing fairness with minimal loss of predictive power compared to baselines. Our contribution includes a PyTorch implementation of the fairret framework.

Stock market is often important as it represents the ownership claims on businesses. Without sufficient stocks, a company cannot perform well in finance. Predicting a stock market performance of a company is nearly hard because every time the prices of a company stock keeps changing and not constant. So, its complex to determine the stock data. But if the previous performance of a company in stock market is known, then we can track the data and provide predictions to stockholders in order to wisely take decisions on handling the stocks to a company. To handle this, many machine learning models have been invented but they didn't succeed due to many reasons like absence of advanced libraries, inaccuracy of model when made to train with real time data and much more. So, to track the patterns and the features of data, a CNN-LSTM Neural Network can be made. Recently, CNN is now used in Natural Language Processing (NLP) based applications, so by identifying the features from stock data and converting them into tensors, we can obtain the features and then send it to LSTM neural network to find the patterns and thereby predicting the stock market for given period of time. The accuracy of the CNN-LSTM NN model is found to be high even when allowed to train on real-time stock market data. This paper describes about the features of the custom CNN-LSTM model, experiments we made with the model (like training with stock market datasets, performance comparison with other models) and the end product we obtained at final stage.

Optimizing GPU kernels manually is a challenging and time-consuming task. With the rapid development of LLMs, automated GPU kernel optimization is gradually becoming a tangible reality. However, current LLM-driven automated optimization methods narrowly focus on machine learning applications, such as PyTorch operator optimization, while overlooking broader domains like sparse matrix operations in scientific computing. Extending to these broader applications brings new challenges for the benchmark and algorithm. Therefore, developing a general-purpose automated kernel optimization method becomes our primary focus. In this paper, we address the absence of systematic evaluation for multi-scenario settings by introducing MSKernelBench, which spans multiple scenarios, including fundamental algebraic operations, common LLM kernels, sparse matrix operators, and scientific computing routines, each supporting both FP32 and BF16 precision. Building on this benchmark, we introduce CUDAMaster, a multi-agent, hardware-aware system for kernel optimization that leverages profiling information and automatically constructs the full compilation and execution toolchain. Experimental results demonstrate that CUDAMaster achieves significant speedups across most operators, outperforming Astra by about 35%. In several cases, its performance matches or surpasses that of highly optimized, closed-source libraries such as cuBLAS. A demo showcasing the original and optimized code for each operator is available at https://hanyx2021.github.io/MSKernelBenchDemo/.

The ever-growing complexity of reinforcement learning (RL) tasks demands a distributed RL system to efficiently generate and process a massive amount of data to train intelligent agents. However, existing open-source libraries suffer from various limitations, which impede their practical use in challenging scenarios where large-scale training is necessary. While industrial systems from OpenAI and DeepMind have achieved successful large-scale RL training, their system architecture and implementation details remain undisclosed to the community. In this paper, we present a novel abstraction on the dataflows of RL training, which unifies practical RL training across diverse applications into a general framework and enables fine-grained optimizations. Following this abstraction, we develop a scalable, efficient, and extensible distributed RL system called ReaLly Scalable RL (SRL). The system architecture of SRL separates major RL computation components and allows massively parallelized training. Moreover, SRL offers user-friendly and extensible interfaces for customized algorithms. Our evaluation shows that SRL outperforms existing academic libraries in both a single machine and a medium-sized cluster. In a large-scale cluster, the novel architecture of SRL leads to up to 3.7x speedup compared to the design choices adopted by the existing libraries. We also conduct a direct benchmark comparison to OpenAI's industrial system, Rapid, in the challenging hide-and-seek environment. SRL reproduces the same solution as reported by OpenAI with up to 5x speedup in wall-clock time. Furthermore, we also examine the performance of SRL in a much harder variant of the hide-and-seek environment and achieve substantial learning speedup by scaling SRL to over 15k CPU cores and 32 A100 GPUs. Notably, SRL is the first in the academic community to perform RL experiments at such a large scale.

Apache Spark is a popular open-source platform for large-scale data processing that is well-suited for iterative machine learning tasks. In this paper we present MLlib, Spark's open-source distributed machine learning library. MLlib provides efficient functionality for a wide range of learning settings and includes several underlying statistical, optimization, and linear algebra primitives. Shipped with Spark, MLlib supports several languages and provides a high-level API that leverages Spark's rich ecosystem to simplify the development of end-to-end machine learning pipelines. MLlib has experienced a rapid growth due to its vibrant open-source community of over 140 contributors, and includes extensive documentation to support further growth and to let users quickly get up to speed.

Modern neural networks rely on generic activation functions (ReLU, GELU, SiLU) that ignore the mathematical structure inherent in scientific data. We propose Neuro-Symbolic Activation Discovery, a framework that uses Genetic Programming to extract interpretable mathematical formulas from data and inject them as custom activation functions. Our key contribution is the discovery of a Geometric Transfer phenomenon: activation functions learned from particle physics data successfully generalize to ecological classification, outperforming standard activations (ReLU, GELU, SiLU) in both accuracy and parameter efficiency. On the Forest Cover dataset, our Hybrid Transfer model achieves 82.4% accuracy with only 5,825 parameters, compared to 83.4% accuracy requiring 31,801 parameters for a conventional heavy network -- a 5.5x parameter reduction with only 1% accuracy loss. We introduce a Parameter Efficiency Score (E_{param} = AUC / log_{10}(Params)) and demonstrate that lightweight hybrid architectures consistently achieve 18-21% higher efficiency than over-parameterized baselines. Crucially, we establish boundary conditions: while Physics to Ecology transfer succeeds (both involve continuous Euclidean measurements), Physics to Text transfer fails (discrete word frequencies require different mathematical structures). Our work opens pathways toward domain-specific activation libraries for efficient scientific machine learning.

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in different areas separately. We present Pykale - a Python library for knowledge-aware machine learning on graphs, images, texts, and videos to enable and accelerate interdisciplinary research. We formulate new green machine learning guidelines based on standard software engineering practices and propose a novel pipeline-based application programming interface (API). PyKale focuses on leveraging knowledge from multiple sources for accurate and interpretable prediction, thus supporting multimodal learning and transfer learning (particularly domain adaptation) with latest deep learning and dimensionality reduction models. We build PyKale on PyTorch and leverage the rich PyTorch ecosystem. Our pipeline-based API design enforces standardization and minimalism, embracing green machine learning concepts via reducing repetitions and redundancy, reusing existing resources, and recycling learning models across areas. We demonstrate its interdisciplinary nature via examples in bioinformatics, knowledge graph, image/video recognition, and medical imaging.

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python programs suitable for training machine learning models. Our library admits the construction of control-flow graphs, data-flow graphs, and composite ``program graphs'' that combine control-flow, data-flow, syntactic, and lexical information about a program. We present the capabilities and limitations of the library, perform a case study applying the library to millions of competitive programming submissions, and showcase the library's utility for machine learning research.

Linux kernel is a huge code base with enormous number of subsystems and possible configuration options that results in unmanageable complexity of elaborating an efficient configuration. Machine Learning (ML) is approach/area of learning from data, finding patterns, and making predictions without implementing algorithms by developers that can introduce a self-evolving capability in Linux kernel. However, introduction of ML approaches in Linux kernel is not easy way because there is no direct use of floating-point operations (FPU) in kernel space and, potentially, ML models can be a reason of significant performance degradation in Linux kernel. Paper suggests the ML infrastructure architecture in Linux kernel that can solve the declared problem and introduce of employing ML models in kernel space. Suggested approach of kernel ML library has been implemented as Proof Of Concept (PoC) project with the goal to demonstrate feasibility of the suggestion and to design the interface of interaction the kernel-space ML model proxy and the ML model user-space thread.

Scikit-learn is an increasingly popular machine learning li- brary. Written in Python, it is designed to be simple and efficient, accessible to non-experts, and reusable in various contexts. In this paper, we present and discuss our design choices for the application programming interface (API) of the project. In particular, we describe the simple and elegant interface shared by all learning and processing units in the library and then discuss its advantages in terms of composition and reusability. The paper also comments on implementation details specific to the Python ecosystem and analyzes obstacles faced by users and developers of the library.

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Specializing LLMs in various domain-specific tasks has emerged as a critical step towards achieving high performance. However, the construction and annotation of datasets in specific domains are always very costly. Apart from using superior and expensive closed-source LLM APIs to construct datasets, some open-source models have become strong enough to handle dataset construction in many scenarios. Thus, we present a family of data augmentation models designed to significantly improve the efficiency for model fine-tuning. These models, trained based on sufficiently small LLMs, support key functionalities with low inference costs: instruction expansion, instruction refinement, and instruction-response pair expansion. To fulfill this goal, we first construct an automatic data collection system with seed datasets generated from both public repositories and our in-house datasets. This system leverages powerful LLMs to expand, refine and re-write the instructions and responses, incorporating quality assessment techniques. Following this, we introduce the training process of our models, which effectively distills task-solving and text synthesis abilities from teacher LLMs. Finally, we demonstrate how we integrate these functionalities into a machine learning platform to support low-cost LLM fine-tuning from both dataset preparation and training perspectives for users. Experiments and an application study prove the effectiveness of our approach.

We introduce Adapters, an open-source library that unifies parameter-efficient and modular transfer learning in large language models. By integrating 10 diverse adapter methods into a unified interface, Adapters offers ease of use and flexible configuration. Our library allows researchers and practitioners to leverage adapter modularity through composition blocks, enabling the design of complex adapter setups. We demonstrate the library's efficacy by evaluating its performance against full fine-tuning on various NLP tasks. Adapters provides a powerful tool for addressing the challenges of conventional fine-tuning paradigms and promoting more efficient and modular transfer learning. The library is available via https://adapterhub.ml/adapters.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

We present Manify, an open-source Python library for non-Euclidean representation learning. Leveraging manifold learning techniques, Manify provides tools for learning embeddings in (products of) non-Euclidean spaces, performing classification and regression with data that lives in such spaces, and estimating the curvature of a manifold. Manify aims to advance research and applications in machine learning by offering a comprehensive suite of tools for manifold-based data analysis. Our source code, examples, datasets, results, and documentation are available at https://github.com/pchlenski/manify

The advent of deep machine learning platforms such as Tensorflow and Pytorch, developed in expressive high-level languages such as Python, have allowed more expressive representations of deep neural network architectures. We argue that such a powerful formalism is missing in information retrieval (IR), and propose a framework called PyTerrier that allows advanced retrieval pipelines to be expressed, and evaluated, in a declarative manner close to their conceptual design. Like the aforementioned frameworks that compile deep learning experiments into primitive GPU operations, our framework targets IR platforms as backends in order to execute and evaluate retrieval pipelines. Further, we can automatically optimise the retrieval pipelines to increase their efficiency to suite a particular IR platform backend. Our experiments, conducted on TREC Robust and ClueWeb09 test collections, demonstrate the efficiency benefits of these optimisations for retrieval pipelines involving both the Anserini and Terrier IR platforms.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

There is a rapidly growing number of open-source Large Language Models (LLMs) and benchmark datasets to compare them. While some models dominate these benchmarks, no single model typically achieves the best accuracy in all tasks and use cases. In this work, we address the challenge of selecting the best LLM out of a collection of models for new tasks. We propose a new formulation for the problem, in which benchmark datasets are repurposed to learn a "router" model for this LLM selection, and we show that this problem can be reduced to a collection of binary classification tasks. We demonstrate the utility and limitations of learning model routers from various benchmark datasets, where we consistently improve performance upon using any single model for all tasks.

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.

Multiple Instance Learning (MIL) is a powerful framework for weakly supervised learning, particularly useful when fine-grained annotations are unavailable. Despite growing interest in deep MIL methods, the field lacks standardized tools for model development, evaluation, and comparison, which hinders reproducibility and accessibility. To address this, we present torchmil, an open-source Python library built on PyTorch. torchmil offers a unified, modular, and extensible framework, featuring basic building blocks for MIL models, a standardized data format, and a curated collection of benchmark datasets and models. The library includes comprehensive documentation and tutorials to support both practitioners and researchers. torchmil aims to accelerate progress in MIL and lower the entry barrier for new users. Available at https://torchmil.readthedocs.io.

In recent years, a lot of technological advances in computer science have aided software programmers to create innovative and real-time user-friendly software. With the creation of the software and the urging interest of people to learn to write software, there is a large collection of source codes that can be found on the web, also known as Big Code, which can be used as a source of data for driving the machine learning applications tending to solve certain software engineering problems. In this paper, we present COFO, a dataset consisting of 809 classes/problems with a total of 369K source codes written in C, C++, Java, and Python programming languages, along with other metadata such as code tags, problem specification, and input-output specifications. COFO has been scraped from the openly available Codeforces website using a selenium-beautifulsoup-python based scraper. We envision that this dataset can be useful for solving machine learning-based problems like program classification/recognition, tagging, predicting program properties, and code comprehension.

Traditional machine learning systems are deployed under the closed-world setting, which requires the entire training data before the offline training process. However, real-world applications often face the incoming new classes, and a model should incorporate them continually. The learning paradigm is called Class-Incremental Learning (CIL). We propose a Python toolbox that implements several key algorithms for class-incremental learning to ease the burden of researchers in the machine learning community. The toolbox contains implementations of a number of founding works of CIL such as EWC and iCaRL, but also provides current state-of-the-art algorithms that can be used for conducting novel fundamental research. This toolbox, named PyCIL for Python Class-Incremental Learning, is available at https://github.com/G-U-N/PyCIL

Applying DevOps practices to machine learning system is termed as MLOps and machine learning systems evolve on new data unlike traditional systems on requirements. The objective of MLOps is to establish a connection between different open-source tools to construct a pipeline that can automatically perform steps to construct a dataset, train the machine learning model and deploy the model to the production as well as store different versions of model and dataset. Benefits of MLOps is to make sure the fast delivery of the new trained models to the production to have accurate results. Furthermore, MLOps practice impacts the overall quality of the software products and is completely dependent on open-source tools and selection of relevant open-source tools is considered as challenged while a generalized method to select an appropriate open-source tools is desirable. In this paper, we present a framework for recommendation system that processes the contextual information (e.g., nature of data, type of the data) of the machine learning project and recommends a relevant toolchain (tech-stack) for the operationalization of machine learning systems. To check the applicability of the proposed framework, four different approaches i.e., rule-based, random forest, decision trees and k-nearest neighbors were investigated where precision, recall and f-score is measured, the random forest out classed other approaches with highest f-score value of 0.66.

Machine learning techniques are becoming a fundamental tool for scientific and engineering progress. These techniques are applied in contexts as diverse as astronomy and spam filtering. However, correctly applying these techniques requires careful engineering. Much attention has been paid to the technical potential; relatively little attention has been paid to the software engineering process required to bring research-based machine learning techniques into practical utility. Technology companies have supported the engineering community through machine learning frameworks such as TensorFLow and PyTorch, but the details of how to engineer complex machine learning models in these frameworks have remained hidden. To promote best practices within the engineering community, academic institutions and Google have partnered to launch a Special Interest Group on Machine Learning Models (SIGMODELS) whose goal is to develop exemplary implementations of prominent machine learning models in community locations such as the TensorFlow Model Garden (TFMG). The purpose of this report is to define a process for reproducing a state-of-the-art machine learning model at a level of quality suitable for inclusion in the TFMG. We define the engineering process and elaborate on each step, from paper analysis to model release. We report on our experiences implementing the YOLO model family with a team of 26 student researchers, share the tools we developed, and describe the lessons we learned along the way.

We present our vision for developing an automated tool capable of translating visual properties observed in Machine Learning (ML) visualisations into Python assertions. The tool aims to streamline the process of manually verifying these visualisations in the ML development cycle, which is critical as real-world data and assumptions often change post-deployment. In a prior study, we mined 54,070 Jupyter notebooks from Github and created a catalogue of 269 semantically related visualisation-assertion (VA) pairs. Building on this catalogue, we propose to build a taxonomy that organises the VA pairs based on ML verification tasks. The input feature space comprises of a rich source of information mined from the Jupyter notebooks -- visualisations, Python source code, and associated markdown text. The effectiveness of various AI models, including traditional NLP4Code models and modern Large Language Models, will be compared using established machine translation metrics and evaluated through a qualitative study with human participants. The paper also plans to address the challenge of extending the existing VA pair dataset with additional pairs from Kaggle and to compare the tool's effectiveness with commercial generative AI models like ChatGPT. This research not only contributes to the field of ML system validation but also explores novel ways to leverage AI for automating and enhancing software engineering practices in ML.

We present CodeReef - an open platform to share all the components necessary to enable cross-platform MLOps (MLSysOps), i.e. automating the deployment of ML models across diverse systems in the most efficient way. We also introduce the CodeReef solution - a way to package and share models as non-virtualized, portable, customizable and reproducible archive files. Such ML packages include JSON meta description of models with all dependencies, Python APIs, CLI actions and portable workflows necessary to automatically build, benchmark, test and customize models across diverse platforms, AI frameworks, libraries, compilers and datasets. We demonstrate several CodeReef solutions to automatically build, run and measure object detection based on SSD-Mobilenets, TensorFlow and COCO dataset from the latest MLPerf inference benchmark across a wide range of platforms from Raspberry Pi, Android phones and IoT devices to data centers. Our long-term goal is to help researchers share their new techniques as production-ready packages along with research papers to participate in collaborative and reproducible benchmarking, compare the different ML/software/hardware stacks and select the most efficient ones on a Pareto frontier using online CodeReef dashboards.

In this work, we aim to connect two research areas: instruction models and retrieval-based models. While instruction-tuned Large Language Models (LLMs) excel at extracting information from text, they are not suitable for semantic retrieval. Similarity search over embedding vectors allows to index and query vectors, but the similarity reflected in the embedding is sub-optimal for many use cases. We identify the task of retrieving sentences based on abstract descriptions of their content. We demonstrate the inadequacy of current text embeddings and propose an alternative model that significantly improves when used in standard nearest neighbor search. The model is trained using positive and negative pairs sourced through prompting an a large language model (LLM). While it is easy to source the training material from an LLM, the retrieval task cannot be performed by the LLM directly. This demonstrates that data from LLMs can be used not only for distilling more efficient specialized models than the original LLM, but also for creating new capabilities not immediately possible using the original model.

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

Named Entity Recognition (NER) models play a crucial role in various NLP tasks, including information extraction (IE) and text understanding. In academic writing, references to machine learning models and datasets are fundamental components of various computer science publications and necessitate accurate models for identification. Despite the advancements in NER, existing ground truth datasets do not treat fine-grained types like ML model and model architecture as separate entity types, and consequently, baseline models cannot recognize them as such. In this paper, we release a corpus of 100 manually annotated full-text scientific publications and a first baseline model for 10 entity types centered around ML models and datasets. In order to provide a nuanced understanding of how ML models and datasets are mentioned and utilized, our dataset also contains annotations for informal mentions like "our BERT-based model" or "an image CNN". You can find the ground truth dataset and code to replicate model training at https://data.gesis.org/gsap/gsap-ner.

With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the performance of ML by biasing the decision-making processes. To deepen the understanding of imbalanced data and facilitate the related research and applications, this survey systematically analyzes various real-world data formats and concludes existing researches for different data formats into four distinct categories: data re-balancing, feature representation, training strategy, and ensemble learning. This structured analysis helps researchers comprehensively understand the pervasive nature of imbalance across diverse data formats, thereby paving a clearer path toward achieving specific research goals. We provide an overview of relevant open-source libraries, spotlight current challenges, and offer novel insights aimed at fostering future advancements in this critical area of study.

In the field of language modeling, models augmented with retrieval components have emerged as a promising solution to address several challenges faced in the natural language processing (NLP) field, including knowledge grounding, interpretability, and scalability. Despite the primary focus on NLP, we posit that the paradigm of retrieval-enhancement can be extended to a broader spectrum of machine learning (ML) such as computer vision, time series prediction, and computational biology. Therefore, this work introduces a formal framework of this paradigm, Retrieval-Enhanced Machine Learning (REML), by synthesizing the literature in various domains in ML with consistent notations which is missing from the current literature. Also, we found that while a number of studies employ retrieval components to augment their models, there is a lack of integration with foundational Information Retrieval (IR) research. We bridge this gap between the seminal IR research and contemporary REML studies by investigating each component that comprises the REML framework. Ultimately, the goal of this work is to equip researchers across various disciplines with a comprehensive, formally structured framework of retrieval-enhanced models, thereby fostering interdisciplinary future research.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

CleverHans is a software library that provides standardized reference implementations of adversarial example construction techniques and adversarial training. The library may be used to develop more robust machine learning models and to provide standardized benchmarks of models' performance in the adversarial setting. Benchmarks constructed without a standardized implementation of adversarial example construction are not comparable to each other, because a good result may indicate a robust model or it may merely indicate a weak implementation of the adversarial example construction procedure. This technical report is structured as follows. Section 1 provides an overview of adversarial examples in machine learning and of the CleverHans software. Section 2 presents the core functionalities of the library: namely the attacks based on adversarial examples and defenses to improve the robustness of machine learning models to these attacks. Section 3 describes how to report benchmark results using the library. Section 4 describes the versioning system.

Machine learning (ML) has become crucial in modern life, with growing interest from researchers and the public. Despite its potential, a significant entry barrier prevents widespread adoption, making it challenging for non-experts to understand and implement ML techniques. The increasing desire to leverage ML is counterbalanced by its technical complexity, creating a gap between potential and practical application. This work introduces asanAI, an offline-first, open-source, no-code machine learning toolkit designed for users of all skill levels. It allows individuals to design, debug, train, and test ML models directly in a web browser, eliminating the need for software installations and coding. The toolkit runs on any device with a modern web browser, including smartphones, and ensures user privacy through local computations while utilizing WebGL for enhanced GPU performance. Users can quickly experiment with neural networks and train custom models using various data sources, supported by intuitive visualizations of network structures and data flows. asanAI simplifies the teaching of ML concepts in educational settings and is released under an open-source MIT license, encouraging modifications. It also supports exporting models in industry-ready formats, empowering a diverse range of users to effectively learn and apply machine learning in their projects. The proposed toolkit is successfully utilized by researchers of ScaDS.AI to swiftly draft and test machine learning ideas, by trainers to effectively educate enthusiasts, and by teachers to introduce contemporary ML topics in classrooms with minimal effort and high clarity.

Machine learning practitioners often have access to a spectrum of data: labeled data for the target task (which is often limited), unlabeled data, and auxiliary data, the many available labeled datasets for other tasks. We describe TAGLETS, a system built to study techniques for automatically exploiting all three types of data and creating high-quality, servable classifiers. The key components of TAGLETS are: (1) auxiliary data organized according to a knowledge graph, (2) modules encapsulating different methods for exploiting auxiliary and unlabeled data, and (3) a distillation stage in which the ensembled modules are combined into a servable model. We compare TAGLETS with state-of-the-art transfer learning and semi-supervised learning methods on four image classification tasks. Our study covers a range of settings, varying the amount of labeled data and the semantic relatedness of the auxiliary data to the target task. We find that the intelligent incorporation of auxiliary and unlabeled data into multiple learning techniques enables TAGLETS to match-and most often significantly surpass-these alternatives. TAGLETS is available as an open-source system at github.com/BatsResearch/taglets.

Much of machine learning research focuses on producing models which perform well on benchmark tasks, in turn improving our understanding of the challenges associated with those tasks. From the perspective of ML researchers, the content of the task itself is largely irrelevant, and thus there have increasingly been calls for benchmark tasks to more heavily focus on problems which are of social or cultural relevance. In this work, we introduce Kuzushiji-MNIST, a dataset which focuses on Kuzushiji (cursive Japanese), as well as two larger, more challenging datasets, Kuzushiji-49 and Kuzushiji-Kanji. Through these datasets, we wish to engage the machine learning community into the world of classical Japanese literature. Dataset available at https://github.com/rois-codh/kmnist

The rapid expansion of Large Language Models (LLMs) has posed significant challenges regarding the computational resources required for fine-tuning and deployment. Recent advancements in low-rank adapters have demonstrated their efficacy in parameter-efficient fine-tuning (PEFT) of these models. This retrospective paper comprehensively discusses innovative approaches that synergize low-rank representations with Neural Architecture Search (NAS) techniques, particularly weight-sharing super-networks. Robust solutions for compressing and fine-tuning large pre-trained models are developed by integrating these methodologies. Our analysis highlights the potential of these combined strategies to democratize the use of LLMs, making them more accessible for deployment in resource-constrained environments. The resulting models exhibit reduced memory footprints and faster inference times, paving the way for more practical and scalable applications of LLMs. Models and code are available at https://github.com/IntelLabs/Hardware-Aware-Automated-Machine-Learning.

Robotics is undergoing a significant transformation powered by advances in high-level control techniques based on machine learning, giving rise to the field of robot learning. Recent progress in robot learning has been accelerated by the increasing availability of affordable teleoperation systems, large-scale openly available datasets, and scalable learning-based methods. However, development in the field of robot learning is often slowed by fragmented, closed-source tools designed to only address specific sub-components within the robotics stack. In this paper, we present lerobot, an open-source library that integrates across the entire robot learning stack, from low-level middleware communication for motor controls to large-scale dataset collection, storage and streaming. The library is designed with a strong focus on real-world robotics, supporting accessible hardware platforms while remaining extensible to new embodiments. It also supports efficient implementations for various state-of-the-art robot learning algorithms from multiple prominent paradigms, as well as a generalized asynchronous inference stack. Unlike traditional pipelines which heavily rely on hand-crafted techniques, lerobot emphasizes scalable learning approaches that improve directly with more data and compute. Designed for accessibility, scalability, and openness, lerobot lowers the barrier to entry for researchers and practitioners to robotics while providing a platform for reproducible, state-of-the-art robot learning.

In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models for 2) classifying and clustering texts, 3) named entity recognition for large-scale text-mining, 4) abstractive summarization for generating titles of articles from abstracts, 5) text generation for suggesting abstracts from titles, 6) integration with density functional theory dataset for identifying potential candidate materials such as superconductors, and 7) web-interface development for text and reference query. We primarily use the publicly available arXiv and Pubchem datasets but the tools can be used for other datasets as well. Moreover, as new models are developed, they can be easily integrated in the library. ChemNLP is available at the websites: https://github.com/usnistgov/chemnlp and https://jarvis.nist.gov/jarvischemnlp.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

Code quality is and will be a crucial factor while developing new software code, requiring appropriate tools to ensure functional and reliable code. Machine learning techniques are still rarely used for software engineering tools, missing out the potential benefits of its application. Natural language processing has shown the potential to process text data regarding a variety of tasks. We argue, that such models can also show similar benefits for software code processing. In this paper, we investigate how models used for natural language processing can be trained upon software code. We introduce a data retrieval pipeline for software code and train a model upon Java software code. The resulting model, JavaBERT, shows a high accuracy on the masked language modeling task showing its potential for software engineering tools.

The rapid evolution of Multimodal Large Language Models (MLLMs) has brought substantial advancements in artificial intelligence, significantly enhancing the capability to understand and generate multimodal content. While prior studies have largely concentrated on model architectures and training methodologies, a thorough analysis of the benchmarks used for evaluating these models remains underexplored. This survey addresses this gap by systematically reviewing 211 benchmarks that assess MLLMs across four core domains: understanding, reasoning, generation, and application. We provide a detailed analysis of task designs, evaluation metrics, and dataset constructions, across diverse modalities. We hope that this survey will contribute to the ongoing advancement of MLLM research by offering a comprehensive overview of benchmarking practices and identifying promising directions for future work. An associated GitHub repository collecting the latest papers is available.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

With the booming demand for machine learning applications, it has been recognized that the number of knowledgeable data scientists can not scale with the growing data volumes and application needs in our digital world. In response to this demand, several automated machine learning (AutoML) frameworks have been developed to fill the gap of human expertise by automating the process of building machine learning pipelines. Each framework comes with different heuristics-based design decisions. In this study, we present a comprehensive evaluation and comparison of the performance characteristics of six popular AutoML frameworks, namely, AutoWeka, AutoSKlearn, TPOT, Recipe, ATM, and SmartML, across 100 data sets from established AutoML benchmark suites. Our experimental evaluation considers different aspects for its comparison, including the performance impact of several design decisions, including time budget, size of search space, meta-learning, and ensemble construction. The results of our study reveal various interesting insights that can significantly guide and impact the design of AutoML frameworks.

The quality of underlying training data is very crucial for building performant machine learning models with wider generalizabilty. However, current machine learning (ML) tools lack streamlined processes for improving the data quality. So, getting data quality insights and iteratively pruning the errors to obtain a dataset which is most representative of downstream use cases is still an ad-hoc manual process. Our work addresses this data tooling gap, required to build improved ML workflows purely through data-centric techniques. More specifically, we introduce a systematic framework for (1) finding noisy or mislabelled samples in the dataset and, (2) identifying the most informative samples, which when included in training would provide maximal model performance lift. We demonstrate the efficacy of our framework on public as well as private enterprise datasets of two Fortune 500 companies, and are confident this work will form the basis for ML teams to perform more intelligent data discovery and pruning.

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

The last decade has seen widespread adoption of Machine Learning (ML) components in software systems. This has occurred in nearly every domain, from natural language processing to computer vision. These ML components range from relatively simple neural networks to complex and resource-intensive large language models. However, despite this widespread adoption, little is known about the supply chain relationships that produce these models, which can have implications for compliance and security. In this work, we conduct an extensive analysis of 760,460 models and 175,000 datasets mined from the popular model-sharing site Hugging Face. First, we evaluate the current state of documentation in the Hugging Face supply chain, report real-world examples of shortcomings, and offer actionable suggestions for improvement. Next, we analyze the underlying structure of the extant supply chain. Finally, we explore the current licensing landscape against what was reported in prior work and discuss the unique challenges posed in this domain. Our results motivate multiple research avenues, including the need for better license management for ML models/datasets, better support for model documentation, and automated inconsistency checking and validation. We make our research infrastructure and dataset available to facilitate future research.

This paper embarks on an exploration into the Large Language Model (LLM) datasets, which play a crucial role in the remarkable advancements of LLMs. The datasets serve as the foundational infrastructure analogous to a root system that sustains and nurtures the development of LLMs. Consequently, examination of these datasets emerges as a critical topic in research. In order to address the current lack of a comprehensive overview and thorough analysis of LLM datasets, and to gain insights into their current status and future trends, this survey consolidates and categorizes the fundamental aspects of LLM datasets from five perspectives: (1) Pre-training Corpora; (2) Instruction Fine-tuning Datasets; (3) Preference Datasets; (4) Evaluation Datasets; (5) Traditional Natural Language Processing (NLP) Datasets. The survey sheds light on the prevailing challenges and points out potential avenues for future investigation. Additionally, a comprehensive review of the existing available dataset resources is also provided, including statistics from 444 datasets, covering 8 language categories and spanning 32 domains. Information from 20 dimensions is incorporated into the dataset statistics. The total data size surveyed surpasses 774.5 TB for pre-training corpora and 700M instances for other datasets. We aim to present the entire landscape of LLM text datasets, serving as a comprehensive reference for researchers in this field and contributing to future studies. Related resources are available at: https://github.com/lmmlzn/Awesome-LLMs-Datasets.

Digital archiving is becoming widespread owing to its effectiveness in protecting valuable books and providing knowledge to many people electronically. In this paper, we propose a novel approach to leverage digital archives for machine learning. If we can fully utilize such digitized data, machine learning has the potential to uncover unknown insights and ultimately acquire knowledge autonomously, just like humans read books. As a first step, we design a dataset construction pipeline comprising an optical character reader (OCR), an object detector, and a layout analyzer for the autonomous extraction of image-text pairs. In our experiments, we apply our pipeline on old photo books to construct an image-text pair dataset, showing its effectiveness in image-text retrieval and insight extraction.

Recent literature has underscored the importance of dataset documentation work for machine learning, and part of this work involves addressing "documentation debt" for datasets that have been used widely but documented sparsely. This paper aims to help address documentation debt for BookCorpus, a popular text dataset for training large language models. Notably, researchers have used BookCorpus to train OpenAI's GPT-N models and Google's BERT models, even though little to no documentation exists about the dataset's motivation, composition, collection process, etc. We offer a preliminary datasheet that provides key context and information about BookCorpus, highlighting several notable deficiencies. In particular, we find evidence that (1) BookCorpus likely violates copyright restrictions for many books, (2) BookCorpus contains thousands of duplicated books, and (3) BookCorpus exhibits significant skews in genre representation. We also find hints of other potential deficiencies that call for future research, including problematic content, potential skews in religious representation, and lopsided author contributions. While more work remains, this initial effort to provide a datasheet for BookCorpus adds to growing literature that urges more careful and systematic documentation for machine learning datasets.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

OpenAutoNLU is an open-source automated machine learning library for natural language understanding (NLU) tasks, covering both text classification and named entity recognition (NER). Unlike existing solutions, we introduce data-aware training regime selection that requires no manual configuration from the user. The library also provides integrated data quality diagnostics, configurable out-of-distribution (OOD) detection, and large language model (LLM) features, all within a minimal lowcode API. The demo app is accessible here https://openautonlu.dev.

This paper introduces the Encog library for Java and C#, a scalable, adaptable, multiplatform machine learning framework that was 1st released in 2008. Encog allows a variety of machine learning models to be applied to datasets using regression, classification, and clustering. Various supported machine learning models can be used interchangeably with minimal recoding. Encog uses efficient multithreaded code to reduce training time by exploiting modern multicore processors. The current version of Encog can be downloaded from http://www.encog.org.

Despite incredible recent advances in machine learning, building machine learning applications remains prohibitively time-consuming and expensive for all but the best-trained, best-funded engineering organizations. This expense comes not from a need for new and improved statistical models but instead from a lack of systems and tools for supporting end-to-end machine learning application development, from data preparation and labeling to productionization and monitoring. In this document, we outline opportunities for infrastructure supporting usable, end-to-end machine learning applications in the context of the nascent DAWN (Data Analytics for What's Next) project at Stanford.

Recent advancements in large language models (LLMs) have driven interest in billion-scale retrieval models with strong generalization across retrieval tasks and languages. Additionally, progress in large vision-language models has created new opportunities for multimodal retrieval. In response, we have updated the Tevatron toolkit, introducing a unified pipeline that enables researchers to explore retriever models at different scales, across multiple languages, and with various modalities. This demo paper highlights the toolkit's key features, bridging academia and industry by supporting efficient training, inference, and evaluation of neural retrievers. We showcase a unified dense retriever achieving strong multilingual and multimodal effectiveness, and conduct a cross-modality zero-shot study to demonstrate its research potential. Alongside, we release OmniEmbed, to the best of our knowledge, the first embedding model that unifies text, image document, video, and audio retrieval, serving as a baseline for future research.

The information retrieval community has recently witnessed a revolution due to large pretrained transformer models. Another key ingredient for this revolution was the MS MARCO dataset, whose scale and diversity has enabled zero-shot transfer learning to various tasks. However, not all IR tasks and domains can benefit from one single dataset equally. Extensive research in various NLP tasks has shown that using domain-specific training data, as opposed to a general-purpose one, improves the performance of neural models. In this work, we harness the few-shot capabilities of large pretrained language models as synthetic data generators for IR tasks. We show that models finetuned solely on our unsupervised dataset outperform strong baselines such as BM25 as well as recently proposed self-supervised dense retrieval methods. Furthermore, retrievers finetuned on both supervised and our synthetic data achieve better zero-shot transfer than models finetuned only on supervised data. Code, models, and data are available at https://github.com/zetaalphavector/inpars .

The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses and training policies) against standard benchmark implementations, or on a set of common environments. We present torchgfn, a PyTorch library that aims to address this need. Its core contribution is a modular and decoupled architecture which treats environments, neural network modules, and training objectives as interchangeable components. This provides users with a simple yet powerful API to facilitate rapid prototyping and novel research. Multiple examples are provided, replicating and unifying published results. The library is available on GitHub (https://github.com/GFNOrg/torchgfn) and on pypi (https://pypi.org/project/torchgfn/).

Recent neural network-based language models have benefited greatly from scaling up the size of training datasets and the number of parameters in the models themselves. Scaling can be complicated due to various factors including the need to distribute computation on supercomputer clusters (e.g., TPUs), prevent bottlenecks when infeeding data, and ensure reproducible results. In this work, we present two software libraries that ease these issues: t5x simplifies the process of building and training large language models at scale while maintaining ease of use, and seqio provides a task-based API for simple creation of fast and reproducible training data and evaluation pipelines. These open-source libraries have been used to train models with hundreds of billions of parameters on datasets with multiple terabytes of training data. Along with the libraries, we release configurations and instructions for T5-like encoder-decoder models as well as GPT-like decoder-only architectures. t5x and seqio are open source and available at https://github.com/google-research/t5x and https://github.com/google/seqio, respectively.

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely focused on the architecture of neural networks, where it has relied on sophisticated expert-designed layers as building blocks---or similarly restrictive search spaces. Our goal is to show that AutoML can go further: it is possible today to automatically discover complete machine learning algorithms just using basic mathematical operations as building blocks. We demonstrate this by introducing a novel framework that significantly reduces human bias through a generic search space. Despite the vastness of this space, evolutionary search can still discover two-layer neural networks trained by backpropagation. These simple neural networks can then be surpassed by evolving directly on tasks of interest, e.g. CIFAR-10 variants, where modern techniques emerge in the top algorithms, such as bilinear interactions, normalized gradients, and weight averaging. Moreover, evolution adapts algorithms to different task types: e.g., dropout-like techniques appear when little data is available. We believe these preliminary successes in discovering machine learning algorithms from scratch indicate a promising new direction for the field.

Despite the rapid growth of machine learning research, corresponding code implementations are often unavailable, making it slow and labor-intensive for researchers to reproduce results and build upon prior work. In the meantime, recent Large Language Models (LLMs) excel at understanding scientific documents and generating high-quality code. Inspired by this, we introduce PaperCoder, a multi-agent LLM framework that transforms machine learning papers into functional code repositories. PaperCoder operates in three stages: planning, where it constructs a high-level roadmap, designs the system architecture with diagrams, identifies file dependencies, and generates configuration files; analysis, which focuses on interpreting implementation-specific details; and generation, where modular, dependency-aware code is produced. Moreover, each phase is instantiated through a set of specialized agents designed to collaborate effectively across the pipeline. We then evaluate PaperCoder on generating code implementations from machine learning papers based on both model-based and human evaluations, specifically from the original paper authors, with author-released repositories as ground truth if available. Our results demonstrate the effectiveness of PaperCoder in creating high-quality, faithful implementations. Furthermore, it consistently shows strengths in the recently released PaperBench benchmark, surpassing strong baselines by substantial margins.

Retrieval-augmented large language models (R-LLMs) combine pre-trained large language models (LLMs) with information retrieval systems to improve the accuracy of factual question-answering. However, current libraries for building R-LLMs provide high-level abstractions without sufficient transparency for evaluating and optimizing prompts within specific inference processes such as retrieval and generation. To address this gap, we present RaLLe, an open-source framework designed to facilitate the development, evaluation, and optimization of R-LLMs for knowledge-intensive tasks. With RaLLe, developers can easily develop and evaluate R-LLMs, improving hand-crafted prompts, assessing individual inference processes, and objectively measuring overall system performance quantitatively. By leveraging these features, developers can enhance the performance and accuracy of their R-LLMs in knowledge-intensive generation tasks. We open-source our code at https://github.com/yhoshi3/RaLLe.

The rise of large language models (LLMs) has created a significant disparity: industrial research labs with their computational resources, expert teams, and advanced infrastructures, can effectively fine-tune LLMs, while individual developers and small organizations face barriers due to limited resources. In this paper, we aim to bridge this gap by presenting a comprehensive study on supervised fine-tuning of LLMs using instruction-tuning datasets spanning diverse knowledge domains and skills. We focus on small-sized LLMs (3B to 7B parameters) for their cost-efficiency and accessibility. We explore various training configurations and strategies across four open-source pre-trained models. We provide detailed documentation of these configurations, revealing findings that challenge several common training practices, including hyperparameter recommendations from TULU and phased training recommended by Orca. Key insights from our work include: (i) larger batch sizes paired with lower learning rates lead to improved model performance on benchmarks such as MMLU, MTBench, and Open LLM Leaderboard; (ii) early-stage training dynamics, such as lower gradient norms and higher loss values, are strong indicators of better final model performance, enabling early termination of sub-optimal runs and significant computational savings; (iii) through a thorough exploration of hyperparameters like warmup steps and learning rate schedules, we provide guidance for practitioners and find that certain simplifications do not compromise performance; and (iv) we observed no significant difference in performance between phased and stacked training strategies, but stacked training is simpler and more sample efficient. With these findings holding robustly across datasets and models, we hope this study serves as a guide for practitioners fine-tuning small LLMs and promotes a more inclusive environment for LLM research.

Interventions on model-internal states are fundamental operations in many areas of AI, including model editing, steering, robustness, and interpretability. To facilitate such research, we introduce pyvene, an open-source Python library that supports customizable interventions on a range of different PyTorch modules. pyvene supports complex intervention schemes with an intuitive configuration format, and its interventions can be static or include trainable parameters. We show how pyvene provides a unified and extensible framework for performing interventions on neural models and sharing the intervened upon models with others. We illustrate the power of the library via interpretability analyses using causal abstraction and knowledge localization. We publish our library through Python Package Index (PyPI) and provide code, documentation, and tutorials at https://github.com/stanfordnlp/pyvene.

We present Qiskit Machine Learning (ML), a high-level Python library that combines elements of quantum computing with traditional machine learning. The API abstracts Qiskit's primitives to facilitate interactions with classical simulators and quantum hardware. Qiskit ML started as a proof-of-concept code in 2019 and has since been developed to be a modular, intuitive tool for non-specialist users while allowing extensibility and fine-tuning controls for quantum computational scientists and developers. The library is available as a public, open-source tool and is distributed under the Apache version 2.0 license.

As machine learning (ML) is increasingly implemented in hardware to address real-time challenges in scientific applications, the development of advanced toolchains has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as hardware synthesis, are becoming limiting factors in the rapid iteration of designs. To mitigate these emerging constraints, multiple efforts have been undertaken to develop an ML-based surrogate model that estimates resource usage of ML accelerator architectures. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of over 680,000 fully connected and convolutional neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, and the average performance across a subset of the dataset. Additionally, we introduce GNN- and transformer-based surrogate models that predict latency and resources for ML accelerators. We present the architecture and performance of the models and find that the models generally predict latency and resources for the 75% percentile within several percent of the synthesized resources on the synthetic test dataset.

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as feature, neuron and layer importance algorithms, as well as a set of evaluation metrics for these algorithms. It can be used for both classification and non-classification models including graph-structured models built on Neural Networks (NN). In this paper we give a high-level overview of supported attribution algorithms and show how to perform memory-efficient and scalable computations. We emphasize that the three main characteristics of the library are multimodality, extensibility and ease of use. Multimodality supports different modality of inputs such as image, text, audio or video. Extensibility allows adding new algorithms and features. The library is also designed for easy understanding and use. Besides, we also introduce an interactive visualization tool called Captum Insights that is built on top of Captum library and allows sample-based model debugging and visualization using feature importance metrics.

Recent research has repeatedly shown that machine learning techniques can be applied to either whole files or file fragments to classify them for analysis. We build upon these techniques to show that for samples of un-labeled compiled computer object code, one can apply the same type of analysis to classify important aspects of the code, such as its target architecture and endianess. We show that using simple byte-value histograms we retain enough information about the opcodes within a sample to classify the target architecture with high accuracy, and then discuss heuristic-based features that exploit information within the operands to determine endianess. We introduce a dataset with over 16000 code samples from 20 architectures and experimentally show that by using our features, classifiers can achieve very high accuracy with relatively small sample sizes.

Code is increasingly becoming a core data modality of modern machine learning research impacting not only the way we write code with conversational agents like OpenAI's ChatGPT, Google's Bard, or Anthropic's Claude, the way we translate code from one language into another, but also the compiler infrastructure underlying the language. While modeling approaches may vary and representations differ, the targeted tasks often remain the same within the individual classes of models. Relying solely on the ability of modern models to extract information from unstructured code does not take advantage of 70 years of programming language and compiler development by not utilizing the structure inherent to programs in the data collection. This detracts from the performance of models working over a tokenized representation of input code and precludes the use of these models in the compiler itself. To work towards the first intermediate representation (IR) based models, we fully utilize the LLVM compiler infrastructure, shared by a number of languages, to generate a 182B token dataset of LLVM IR. We generated this dataset from programming languages built on the shared LLVM infrastructure, including Rust, Swift, Julia, and C/C++, by hooking into LLVM code generation either through the language's package manager or the compiler directly to extract the dataset of intermediate representations from production grade programs. Statistical analysis proves the utility of our dataset not only for large language model training, but also for the introspection into the code generation process itself with the dataset showing great promise for machine-learned compiler components.

Large language models (LLMs) have recently demonstrated strong capabilities in generating machine learning (ML) code, enabling end-to-end pipeline construction from natural language instructions. However, existing benchmarks for ML code generation are mainly restricted to English, overlooking the global and multilingual nature of ML research and practice. To address this gap, we present ML2B, the first benchmark for evaluating multilingual ML code generation. ML2B consists of 30 Kaggle competitions translated into 13 natural languages, covering tabular, text, and image data types, with structured metadata and validated human-reviewed translations. For evaluation, we employ AIDE, an automated framework for end-to-end assessment of data science pipelines, and provide insights into cross-lingual model performance. Our results reveal substantial 15-45% performance degradation on non-English tasks, highlighting critical challenges in multilingual representation learning for code generation. The benchmark, evaluation framework, and comprehensive results are made available through our GitHub repository to facilitate future research in multilingual ML code generation: https://github.com/enaix/ml2b.

Nowadays, an important topic that is considered a lot is how to integrate Machine Learning(ML) to cloud resources management. In this study, our goal is to explore the most important cloud resources management issues that have been combined with ML and which present many promising results. To accomplish this, we used chronological charts based on some keywords that we considered important and tried to answer the question: is ML suitable for resources management problems in the cloud? Furthermore, a short discussion takes place on the data that are available and the open challenges on it. A big collection of researches is used to make sensible comparisons between the ML techniques that are used in the different kinds of cloud resources management fields and we propose the most suitable ML model for each field. 1

Recent advancements in large language models have demonstrated remarkable capabilities across various NLP tasks. But many questions remain, including whether open-source models match closed ones, why these models excel or struggle with certain tasks, and what types of practical procedures can improve performance. We address these questions in the context of classification by evaluating three classes of models using eight datasets across three distinct tasks: named entity recognition, political party prediction, and misinformation detection. While larger LLMs often lead to improved performance, open-source models can rival their closed-source counterparts by fine-tuning. Moreover, supervised smaller models, like RoBERTa, can achieve similar or even greater performance in many datasets compared to generative LLMs. On the other hand, closed models maintain an advantage in hard tasks that demand the most generalizability. This study underscores the importance of model selection based on task requirements

In this paper, we present ManyTypes4Py, a large Python dataset for machine learning (ML)-based type inference. The dataset contains a total of 5,382 Python projects with more than 869K type annotations. Duplicate source code files were removed to eliminate the negative effect of the duplication bias. To facilitate training and evaluation of ML models, the dataset was split into training, validation and test sets by files. To extract type information from abstract syntax trees (ASTs), a lightweight static analyzer pipeline is developed and accompanied with the dataset. Using this pipeline, the collected Python projects were analyzed and the results of the AST analysis were stored in JSON-formatted files. The ManyTypes4Py dataset is shared on zenodo and its tools are publicly available on GitHub.

We propose DISC-LawLLM, an intelligent legal system utilizing large language models (LLMs) to provide a wide range of legal services. We adopt legal syllogism prompting strategies to construct supervised fine-tuning datasets in the Chinese Judicial domain and fine-tune LLMs with legal reasoning capability. We augment LLMs with a retrieval module to enhance models' ability to access and utilize external legal knowledge. A comprehensive legal benchmark, DISC-Law-Eval, is presented to evaluate intelligent legal systems from both objective and subjective dimensions. Quantitative and qualitative results on DISC-Law-Eval demonstrate the effectiveness of our system in serving various users across diverse legal scenarios. The detailed resources are available at https://github.com/FudanDISC/DISC-LawLLM.

We introduce a new Information Extraction (IE) task dubbed Instruction-based IE, which aims to ask the system to follow specific instructions or guidelines to extract information. To facilitate research in this area, we construct a dataset called InstructIE, consisting of 270,000 weakly supervised data from Chinese Wikipedia and 1,000 high-quality crowdsourced annotated instances. We further evaluate the performance of various baseline models on the InstructIE dataset. The results reveal that although current models exhibit promising performance, there is still room for improvement. Furthermore, we conduct a comprehensive case study analysis, underlining the challenges inherent in the Instruction-based IE task. Code and dataset are available at https://github.com/zjunlp/DeepKE/tree/main/example/llm.

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

In the large language model (LLM) revolution, embedding is a key component of various systems. For example, it is used to retrieve knowledge or memories for LLMs, to build content moderation filters, etc. As such cases span from English to other natural or programming languages, from retrieval to classification and beyond, it is desirable to build a unified embedding model rather than dedicated ones for each scenario. In this work, we make an initial step towards this goal, demonstrating that multiple languages (both natural and programming) pre-trained transformer decoders can embed universally when finetuned on limited English data. We provide a comprehensive practice with thorough evaluations. On English MTEB, our models achieve competitive performance on different embedding tasks by minimal training data. On other benchmarks, such as multilingual classification and code search, our models (without any supervision) perform comparably to, or even surpass heavily supervised baselines and/or APIs. These results provide evidence of a promising path towards building powerful unified embedders that can be applied across tasks and languages.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

Model and hyperparameter selection are critical but challenging in machine learning, typically requiring expert intuition or expensive automated search. We investigate whether large language models (LLMs) can act as in-context meta-learners for this task. By converting each dataset into interpretable metadata, we prompt an LLM to recommend both model families and hyperparameters. We study two prompting strategies: (1) a zero-shot mode relying solely on pretrained knowledge, and (2) a meta-informed mode augmented with examples of models and their performance on past tasks. Across synthetic and real-world benchmarks, we show that LLMs can exploit dataset metadata to recommend competitive models and hyperparameters without search, and that improvements from meta-informed prompting demonstrate their capacity for in-context meta-learning. These results highlight a promising new role for LLMs as lightweight, general-purpose assistants for model selection and hyperparameter optimization.

We introduce API Pack, a multilingual dataset featuring over one million instruction-API call pairs aimed at advancing large language models' API call generation capabilities. Through experiments, we demonstrate API Pack's efficacy in enhancing models for this specialized task while maintaining their overall proficiency at general coding. Fine-tuning CodeLlama-13B on just 20,000 Python instances yields over 10% and 5% higher accuracy than GPT-3.5 and GPT-4 respectively in generating unseen API calls. Scaling to 100k examples improves generalization to new APIs not seen during training. In addition, cross-lingual API call generation is achieved without needing extensive data per language. The dataset, fine-tuned models, and overall code base are publicly available at https://github.com/zguo0525/API-Pack.

As machine learning models become increasingly larger, trained weakly supervised on large, possibly uncurated data sets, it becomes increasingly important to establish mechanisms for inspecting, interacting, and revising models to mitigate learning shortcuts and guarantee their learned knowledge is aligned with human knowledge. The recently proposed XIL framework was developed for this purpose, and several such methods have been introduced, each with individual motivations and methodological details. In this work, we provide a unification of various XIL methods into a single typology by establishing a common set of basic modules. In doing so, we pave the way for a principled comparison of existing, but, importantly, also future XIL approaches. In addition, we discuss existing and introduce novel measures and benchmarks for evaluating the overall abilities of a XIL method. Given this extensive toolbox, including our typology, measures, and benchmarks, we finally compare several recent XIL methods methodologically and quantitatively. In our evaluations, all methods prove to revise a model successfully. However, we found remarkable differences in individual benchmark tasks, revealing valuable application-relevant aspects for integrating these benchmarks in developing future methods.

Data is a critical resource for machine learning (ML), yet working with data remains a key friction point. This paper introduces Croissant, a metadata format for datasets that creates a shared representation across ML tools, frameworks, and platforms. Croissant makes datasets more discoverable, portable, and interoperable, thereby addressing significant challenges in ML data management. Croissant is already supported by several popular dataset repositories, spanning hundreds of thousands of datasets, enabling easy loading into the most commonly-used ML frameworks, regardless of where the data is stored. Our initial evaluation by human raters shows that Croissant metadata is readable, understandable, complete, yet concise.

Code intelligence plays a key role in transforming modern software engineering. Recently, deep learning-based models, especially Transformer-based large language models (LLMs), have demonstrated remarkable potential in tackling these tasks by leveraging massive open-source code data and programming language features. However, the development and deployment of such models often require expertise in both machine learning and software engineering, creating a barrier for the model adoption. In this paper, we present CodeTF, an open-source Transformer-based library for state-of-the-art Code LLMs and code intelligence. Following the principles of modular design and extensible framework, we design CodeTF with a unified interface to enable rapid access and development across different types of models, datasets and tasks. Our library supports a collection of pretrained Code LLM models and popular code benchmarks, including a standardized interface to train and serve code LLMs efficiently, and data features such as language-specific parsers and utility functions for extracting code attributes. In this paper, we describe the design principles, the architecture, key modules and components, and compare with other related library tools. Finally, we hope CodeTF is able to bridge the gap between machine learning/generative AI and software engineering, providing a comprehensive open-source solution for developers, researchers, and practitioners.

Research on Machine Translation (MT) has achieved important breakthroughs in several areas. While there is much more to be done in order to build on this success, we believe that the language industry needs better ways to take full advantage of current achievements. Due to a combination of factors, including time, resources, and skills, businesses tend to apply pragmatism into their AI workflows. Hence, they concentrate more on outcomes, e.g. delivery, shipping, releases, and features, and adopt high-level working production solutions, where possible. Among the features thought to be helpful for translators are sentence-level and word-level translation auto-suggestion and auto-completion. Suggesting alternatives can inspire translators and limit their need to refer to external resources, which hopefully boosts their productivity. This work describes our submissions to WMT's shared task on word-level auto-completion, for the Chinese-to-English, English-to-Chinese, German-to-English, and English-to-German language directions. We investigate the possibility of using pre-trained models and out-of-the-box features from available libraries. We employ random sampling to generate diverse alternatives, which reveals good results. Furthermore, we introduce our open-source API, based on CTranslate2, to serve translations, auto-suggestions, and auto-completions.

To facilitate the research on large language models (LLMs), this paper presents a comprehensive and unified library, LLMBox, to ease the development, use, and evaluation of LLMs. This library is featured with three main merits: (1) a unified data interface that supports the flexible implementation of various training strategies, (2) a comprehensive evaluation that covers extensive tasks, datasets, and models, and (3) more practical consideration, especially on user-friendliness and efficiency. With our library, users can easily reproduce existing methods, train new models, and conduct comprehensive performance comparisons. To rigorously test LLMBox, we conduct extensive experiments in a diverse coverage of evaluation settings, and experimental results demonstrate the effectiveness and efficiency of our library in supporting various implementations related to LLMs. The detailed introduction and usage guidance can be found at https://github.com/RUCAIBox/LLMBox.

We present AutoBool, a reinforcement learning (RL) framework that trains large language models (LLMs) to generate effective Boolean queries for medical systematic reviews. Boolean queries are the primary mechanism for literature retrieval in this domain and must achieve high recall while maintaining reasonable precision - a challenging balance that existing prompt-based LLM approaches often struggle to achieve. A major limitation in this space is the lack of high-quality ground-truth Boolean queries for each topic, which makes supervised fine-tuning impractical. AutoBool addresses this challenge by using RL to directly optimize query generation with retrieval measures, without requiring target queries. To support this effort, we create and release the largest dataset of its kind: 65588 topics in total for training and evaluating the task of automatic Boolean query formulation. Experiments on our new dataset and two established datasets (CLEF TAR and Seed Collection) show that AutoBool significantly outperforms zero shot/few shot prompting and matches or exceeds the effectiveness of much larger GPT-based models (e.g., GPT-4o, O3) using smaller backbones. It also approaches effectiveness of expert-authored queries while retrieving 10 to 16 times fewer documents. Ablation studies reveal the critical roles of model backbone, size, decoding temperature, and prompt design. Code and data are available at https://github.com/ielab/AutoBool.

Large Language Models (LLMs) have emerged as powerful tools in the field of Natural Language Processing (NLP) and have recently gained significant attention in the domain of Recommendation Systems (RS). These models, trained on massive amounts of data using self-supervised learning, have demonstrated remarkable success in learning universal representations and have the potential to enhance various aspects of recommendation systems by some effective transfer techniques such as fine-tuning and prompt tuning, and so on. The crucial aspect of harnessing the power of language models in enhancing recommendation quality is the utilization of their high-quality representations of textual features and their extensive coverage of external knowledge to establish correlations between items and users. To provide a comprehensive understanding of the existing LLM-based recommendation systems, this survey presents a taxonomy that categorizes these models into two major paradigms, respectively Discriminative LLM for Recommendation (DLLM4Rec) and Generative LLM for Recommendation (GLLM4Rec), with the latter being systematically sorted out for the first time. Furthermore, we systematically review and analyze existing LLM-based recommendation systems within each paradigm, providing insights into their methodologies, techniques, and performance. Additionally, we identify key challenges and several valuable findings to provide researchers and practitioners with inspiration. We have also created a GitHub repository to index relevant papers on LLMs for recommendation, https://github.com/WLiK/LLM4Rec.

Machine learning especially deep neural networks have achieved great success but many of them often rely on a number of labeled samples for supervision. As sufficient labeled training data are not always ready due to e.g., continuously emerging prediction targets and costly sample annotation in real world applications, machine learning with sample shortage is now being widely investigated. Among all these studies, many prefer to utilize auxiliary information including those in the form of Knowledge Graph (KG) to reduce the reliance on labeled samples. In this survey, we have comprehensively reviewed over 90 papers about KG-aware research for two major sample shortage settings -- zero-shot learning (ZSL) where some classes to be predicted have no labeled samples, and few-shot learning (FSL) where some classes to be predicted have only a small number of labeled samples that are available. We first introduce KGs used in ZSL and FSL as well as their construction methods, and then systematically categorize and summarize KG-aware ZSL and FSL methods, dividing them into different paradigms such as the mapping-based, the data augmentation, the propagation-based and the optimization-based. We next present different applications, including not only KG augmented prediction tasks such as image classification, question answering, text classification and knowledge extraction, but also KG completion tasks, and some typical evaluation resources for each task. We eventually discuss some challenges and open problems from different perspectives.

Motivated by recent work on lifelong learning applications for language models (LMs) of code, we introduce CodeLL, a lifelong learning dataset focused on code changes. Our contribution addresses a notable research gap marked by the absence of a long-term temporal dimension in existing code change datasets, limiting their suitability in lifelong learning scenarios. In contrast, our dataset aims to comprehensively capture code changes across the entire release history of open-source software repositories. In this work, we introduce an initial version of CodeLL, comprising 71 machine-learning-based projects mined from Software Heritage. This dataset enables the extraction and in-depth analysis of code changes spanning 2,483 releases at both the method and API levels. CodeLL enables researchers studying the behaviour of LMs in lifelong fine-tuning settings for learning code changes. Additionally, the dataset can help studying data distribution shifts within software repositories and the evolution of API usages over time.

This paper describes the instruction dataset used to fine-tune a set of transformer-based large language models (LLMs) developed in the PLLuM (Polish Large Language Model) project. We present a functional typology of the organic, converted, and synthetic instructions used in PLLuM and share some observations about the implications of using human-authored versus synthetic instruction datasets in the linguistic adaptation of base LLMs. Additionally, we release the first representative subset of the PLLuM instruction corpus (PLLuMIC), which we believe to be useful in guiding and planning the development of similar datasets for other LLMs.

The accelerating pace of research on autoregressive generative models has produced thousands of papers, making manual literature surveys and reproduction studies increasingly impractical. We present a fully open-source, reproducible pipeline that automatically retrieves candidate documents from public repositories, filters them for relevance, extracts metadata, hyper-parameters and reported results, clusters topics, produces retrieval-augmented summaries and generates containerised scripts for re-running selected experiments. Quantitative evaluation on 50 manually-annotated papers shows F1 scores above 0.85 for relevance classification, hyper-parameter extraction and citation identification. Experiments on corpora of up to 1000 papers demonstrate near-linear scalability with eight CPU workers. Three case studies -- AWD-LSTM on WikiText-2, Transformer-XL on WikiText-103 and an autoregressive music model on the Lakh MIDI dataset -- confirm that the extracted settings support faithful reproduction, achieving test perplexities within 1--3% of the original reports.

With the increasing numbers of publicly available models, there are probably pretrained, online models for most tasks users require. However, current model search methods are rudimentary, essentially a text-based search in the documentation, thus users cannot find the relevant models. This paper presents ProbeLog, a method for retrieving classification models that can recognize a target concept, such as "Dog", without access to model metadata or training data. Differently from previous probing methods, ProbeLog computes a descriptor for each output dimension (logit) of each model, by observing its responses on a fixed set of inputs (probes). Our method supports both logit-based retrieval ("find more logits like this") and zero-shot, text-based retrieval ("find all logits corresponding to dogs"). As probing-based representations require multiple costly feedforward passes through the model, we develop a method, based on collaborative filtering, that reduces the cost of encoding repositories by 3x. We demonstrate that ProbeLog achieves high retrieval accuracy, both in real-world and fine-grained search tasks and is scalable to full-size repositories.

LLMs have boosted progress in many AI applications. Recently, there were attempts to distill the vast knowledge of LLMs into information retrieval systems. Those distillation methods mostly use output probabilities of LLMs which are unavailable in the latest black-box LLMs. We propose Syntriever, a training framework for retrievers using synthetic data from black-box LLMs. Syntriever consists of two stages. Firstly in the distillation stage, we synthesize relevant and plausibly irrelevant passages and augmented queries using chain-of-thoughts for the given queries. LLM is asked to self-verify the synthetic data for possible hallucinations, after which retrievers are trained with a loss designed to cluster the embeddings of relevant passages. Secondly in the alignment stage, we align the retriever with the preferences of LLMs. We propose a preference modeling called partial Plackett-Luce ranking to learn LLM preferences with regularization which prevents the model from deviating excessively from that trained in the distillation stage. Experiments show that Syntriever achieves state-of-the-art performances on benchmark datasets from various domains in nDCG@K. The code is available at https://github.com/kmswin1/Syntriever{https://github.com/kmswin1/Syntriever}.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

The field of machine learning (ML) has gained widespread adoption, leading to a significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML tasks (e.g., AutoML) are often time consuming and hard to understand for human developers. In contrast, though human engineers have the incredible ability to understand tasks and reason about solutions, their experience and knowledge are often sparse and difficult to utilize by quantitative approaches. In this paper, we aim to bridge the gap between machine intelligence and human knowledge by introducing a novel framework MLCopilot, which leverages the state-of-the-art LLMs to develop ML solutions for novel tasks. We showcase the possibility of extending the capability of LLMs to comprehend structured inputs and perform thorough reasoning for solving novel ML tasks. And we find that, after some dedicated design, the LLM can (i) observe from the existing experiences of ML tasks and (ii) reason effectively to deliver promising results for new tasks. The solution generated can be used directly to achieve high levels of competitiveness.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.