Daily Papers

The rapid growth of scientific literature demands robust tools for automated survey-generation. However, current large language model (LLM)-based methods often lack in-depth analysis, structural coherence, and reliable citations. To address these limitations, we introduce SciSage, a multi-agent framework employing a reflect-when-you-write paradigm. SciSage features a hierarchical Reflector agent that critically evaluates drafts at outline, section, and document levels, collaborating with specialized agents for query interpretation, content retrieval, and refinement. We also release SurveyScope, a rigorously curated benchmark of 46 high-impact papers (2020-2025) across 11 computer science domains, with strict recency and citation-based quality controls. Evaluations demonstrate that SciSage outperforms state-of-the-art baselines (LLM x MapReduce-V2, AutoSurvey), achieving +1.73 points in document coherence and +32% in citation F1 scores. Human evaluations reveal mixed outcomes (3 wins vs. 7 losses against human-written surveys), but highlight SciSage's strengths in topical breadth and retrieval efficiency. Overall, SciSage offers a promising foundation for research-assistive writing tools.

Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating different aspects of the scientific process, automating rigorous experimentation remains a significant challenge. To address this gap, we propose Curie, an AI agent framework designed to embed rigor into the experimentation process through three key components: an intra-agent rigor module to enhance reliability, an inter-agent rigor module to maintain methodical control, and an experiment knowledge module to enhance interpretability. To evaluate Curie, we design a novel experimental benchmark composed of 46 questions across four computer science domains, derived from influential research papers, and widely adopted open-source projects. Compared to the strongest baseline tested, we achieve a 3.4times improvement in correctly answering experimental questions.Curie is open-sourced at https://github.com/Just-Curieous/Curie.

Artificial Intelligence (AI), with ChatGPT as a prominent example, has recently taken center stage in various domains including higher education, particularly in Computer Science and Engineering (CSE). The AI revolution brings both convenience and controversy, offering substantial benefits while lacking formal guidance on their application. The primary objective of this work is to comprehensively analyze the pedagogical potential of ChatGPT in CSE education, understanding its strengths and limitations from the perspectives of educators and learners. We employ a systematic approach, creating a diverse range of educational practice problems within CSE field, focusing on various subjects such as data science, programming, AI, machine learning, networks, and more. According to our examinations, certain question types, like conceptual knowledge queries, typically do not pose significant challenges to ChatGPT, and thus, are excluded from our analysis. Alternatively, we focus our efforts on developing more in-depth and personalized questions and project-based tasks. These questions are presented to ChatGPT, followed by interactions to assess its effectiveness in delivering complete and meaningful responses. To this end, we propose a comprehensive five-factor reliability analysis framework to evaluate the responses. This assessment aims to identify when ChatGPT excels and when it faces challenges. Our study concludes with a correlation analysis, delving into the relationships among subjects, task types, and limiting factors. This analysis offers valuable insights to enhance ChatGPT's utility in CSE education, providing guidance to educators and students regarding its reliability and efficacy.

Language models pretrained on text from a wide variety of sources form the foundation of today's NLP. In light of the success of these broad-coverage models, we investigate whether it is still helpful to tailor a pretrained model to the domain of a target task. We present a study across four domains (biomedical and computer science publications, news, and reviews) and eight classification tasks, showing that a second phase of pretraining in-domain (domain-adaptive pretraining) leads to performance gains, under both high- and low-resource settings. Moreover, adapting to the task's unlabeled data (task-adaptive pretraining) improves performance even after domain-adaptive pretraining. Finally, we show that adapting to a task corpus augmented using simple data selection strategies is an effective alternative, especially when resources for domain-adaptive pretraining might be unavailable. Overall, we consistently find that multi-phase adaptive pretraining offers large gains in task performance.

The increasing adoption and commercialization of generalized Large Language Models (LLMs) have profoundly impacted various aspects of our daily lives. Initially embraced by the computer science community, the versatility of LLMs has found its way into diverse domains. In particular, the software engineering realm has witnessed the most transformative changes. With LLMs increasingly serving as AI Pair Programming Assistants spurred the development of specialized models aimed at aiding software engineers. Although this new paradigm offers numerous advantages, it also presents critical challenges and open problems. To identify the potential and prevailing obstacles, we systematically reviewed contemporary scholarly publications, emphasizing the perspectives of software developers and usability concerns. Preliminary findings underscore pressing concerns about data privacy, bias, and misinformation. Additionally, we identified several usability challenges, including prompt engineering, increased cognitive demands, and mistrust. Finally, we introduce 12 open problems that we have identified through our survey, covering these various domains.

Sentiments inherently drive politics. How we receive and process information plays an essential role in political decision-making, shaping our judgment with strategic consequences both on the level of legislators and the masses. If sentiment plays such an important role in politics, how can we study and measure it systematically? The paper presents a new dataset of sentiment-annotated sentences, which are used in a series of experiments focused on training a robust sentiment classifier for parliamentary proceedings. The paper also introduces the first domain-specific LLM for political science applications additionally pre-trained on 1.72 billion domain-specific words from proceedings of 27 European parliaments. We present experiments demonstrating how the additional pre-training of LLM on parliamentary data can significantly improve the model downstream performance on the domain-specific tasks, in our case, sentiment detection in parliamentary proceedings. We further show that multilingual models perform very well on unseen languages and that additional data from other languages significantly improves the target parliament's results. The paper makes an important contribution to multiple domains of social sciences and bridges them with computer science and computational linguistics. Lastly, it sets up a more robust approach to sentiment analysis of political texts in general, which allows scholars to study political sentiment from a comparative perspective using standardized tools and techniques.

Mathematical symbols and descriptions appear in various forms across document section boundaries without explicit markup. In this paper, we present a new large-scale dataset that emphasizes extracting symbols and descriptions in scientific documents. Symlink annotates scientific papers of 5 different domains (i.e., computer science, biology, physics, mathematics, and economics). Our experiments on Symlink demonstrate the challenges of the symbol-description linking task for existing models and call for further research effort in this area. We will publicly release Symlink to facilitate future research.

Keyphrase selection plays a pivotal role within the domain of scholarly texts, facilitating efficient information retrieval, summarization, and indexing. In this work, we explored how to apply fine-tuned generative transformer-based models to the specific task of keyphrase selection within Russian scientific texts. We experimented with four distinct generative models, such as ruT5, ruGPT, mT5, and mBART, and evaluated their performance in both in-domain and cross-domain settings. The experiments were conducted on the texts of Russian scientific abstracts from four domains: mathematics & computer science, history, medicine, and linguistics. The use of generative models, namely mBART, led to gains in in-domain performance (up to 4.9% in BERTScore, 9.0% in ROUGE-1, and 12.2% in F1-score) over three keyphrase extraction baselines for the Russian language. Although the results for cross-domain usage were significantly lower, they still demonstrated the capability to surpass baseline performances in several cases, underscoring the promising potential for further exploration and refinement in this research field.

Large language models (LLMs) have demonstrated their remarkable performance across various language understanding tasks. While emerging benchmarks have been proposed to evaluate LLMs in various domains such as mathematics and computer science, they merely measure the accuracy in terms of the final prediction on multi-choice questions. However, it remains insufficient to verify the essential understanding of LLMs given a chosen choice. To fill this gap, we present CLR-Bench to comprehensively evaluate the LLMs in complex college-level reasoning. Specifically, (i) we prioritize 16 challenging college disciplines in computer science and artificial intelligence. The dataset contains 5 types of questions, while each question is associated with detailed explanations from experts. (ii) To quantify a fair evaluation of LLMs' reasoning ability, we formalize the criteria with two novel metrics. QrightarrowA is utilized to measure the performance of direct answer prediction, and QrightarrowAR effectively considers the joint ability to answer the question and provide rationale simultaneously. Extensive experiments are conducted with 40 LLMs over 1,018 discipline-specific questions. The results demonstrate the key insights that LLMs, even the best closed-source LLM, i.e., GPT-4 turbo, tend to `guess' the college-level answers. It shows a dramatic decrease in accuracy from 63.31% QrightarrowA to 39.00% QrightarrowAR, indicating an unsatisfactory reasoning ability.

Scaling reasoning capabilities beyond traditional domains such as math and coding is hindered by the lack of diverse and high-quality questions. To overcome this limitation, we introduce a scalable approach for generating diverse and challenging reasoning questions, accompanied by reference answers. We present NaturalReasoning, a comprehensive dataset comprising 2.8 million questions that span multiple domains, including STEM fields (e.g., Physics, Computer Science), Economics, Social Sciences, and more. We demonstrate the utility of the questions in NaturalReasoning through knowledge distillation experiments which show that NaturalReasoning can effectively elicit and transfer reasoning capabilities from a strong teacher model. Furthermore, we demonstrate that NaturalReasoning is also effective for unsupervised self-training using external reward models or self-rewarding.

This paper provides a comprehensive survey of the latest research on multilingual large language models (MLLMs). MLLMs not only are able to understand and generate language across linguistic boundaries, but also represent an important advancement in artificial intelligence. We first discuss the architecture and pre-training objectives of MLLMs, highlighting the key components and methodologies that contribute to their multilingual capabilities. We then discuss the construction of multilingual pre-training and alignment datasets, underscoring the importance of data quality and diversity in enhancing MLLM performance. An important focus of this survey is on the evaluation of MLLMs. We present a detailed taxonomy and roadmap covering the assessment of MLLMs' cross-lingual knowledge, reasoning, alignment with human values, safety, interpretability and specialized applications. Specifically, we extensively discuss multilingual evaluation benchmarks and datasets, and explore the use of LLMs themselves as multilingual evaluators. To enhance MLLMs from black to white boxes, we also address the interpretability of multilingual capabilities, cross-lingual transfer and language bias within these models. Finally, we provide a comprehensive review of real-world applications of MLLMs across diverse domains, including biology, medicine, computer science, mathematics and law. We showcase how these models have driven innovation and improvements in these specialized fields while also highlighting the challenges and opportunities in deploying MLLMs within diverse language communities and application scenarios. We listed the paper related in this survey and publicly available at https://github.com/tjunlp-lab/Awesome-Multilingual-LLMs-Papers.

We introduce a new benchmark, ChartMimic, aimed at assessing the visually-grounded code generation capabilities of large multimodal models (LMMs). ChartMimic utilizes information-intensive visual charts and textual instructions as inputs, requiring LMMs to generate the corresponding code for chart rendering. ChartMimic includes 1,000 human-curated (figure, instruction, code) triplets, which represent the authentic chart use cases found in scientific papers across various domains(e.g., Physics, Computer Science, Economics, etc). These charts span 18 regular types and 4 advanced types, diversifying into 191 subcategories. Furthermore, we propose multi-level evaluation metrics to provide an automatic and thorough assessment of the output code and the rendered charts. Unlike existing code generation benchmarks, ChartMimic places emphasis on evaluating LMMs' capacity to harmonize a blend of cognitive capabilities, encompassing visual understanding, code generation, and cross-modal reasoning. The evaluation of 3 proprietary models and 11 open-weight models highlights the substantial challenges posed by ChartMimic. Even the advanced GPT-4V, Claude-3-opus only achieve an average score of 73.2 and 53.7, respectively, indicating significant room for improvement. We anticipate that ChartMimic will inspire the development of LMMs, advancing the pursuit of artificial general intelligence.

This comprehensive study evaluates the performance of OpenAI's o1-preview large language model across a diverse array of complex reasoning tasks, spanning multiple domains, including computer science, mathematics, natural sciences, medicine, linguistics, and social sciences. Through rigorous testing, o1-preview demonstrated remarkable capabilities, often achieving human-level or superior performance in areas ranging from coding challenges to scientific reasoning and from language processing to creative problem-solving. Key findings include: -83.3% success rate in solving complex competitive programming problems, surpassing many human experts. -Superior ability in generating coherent and accurate radiology reports, outperforming other evaluated models. -100% accuracy in high school-level mathematical reasoning tasks, providing detailed step-by-step solutions. -Advanced natural language inference capabilities across general and specialized domains like medicine. -Impressive performance in chip design tasks, outperforming specialized models in areas such as EDA script generation and bug analysis. -Remarkable proficiency in anthropology and geology, demonstrating deep understanding and reasoning in these specialized fields. -Strong capabilities in quantitative investing. O1 has comprehensive financial knowledge and statistical modeling skills. -Effective performance in social media analysis, including sentiment analysis and emotion recognition. The model excelled particularly in tasks requiring intricate reasoning and knowledge integration across various fields. While some limitations were observed, including occasional errors on simpler problems and challenges with certain highly specialized concepts, the overall results indicate significant progress towards artificial general intelligence.

Fine-tuning pre-trained language models (PLMs), e.g., SciBERT, generally requires large numbers of annotated data to achieve state-of-the-art performance on a range of NLP tasks in the scientific domain. However, obtaining the fine-tune data for scientific NLP task is still challenging and expensive. Inspired by recent advancement in prompt learning, in this paper, we propose the Mix Prompt Tuning (MPT), which is a semi-supervised method to alleviate the dependence on annotated data and improve the performance of multi-granularity academic function recognition tasks with a small number of labeled examples. Specifically, the proposed method provides multi-perspective representations by combining manual prompt templates with automatically learned continuous prompt templates to help the given academic function recognition task take full advantage of knowledge in PLMs. Based on these prompt templates and the fine-tuned PLM, a large number of pseudo labels are assigned to the unlabeled examples. Finally, we fine-tune the PLM using the pseudo training set. We evaluate our method on three academic function recognition tasks of different granularity including the citation function, the abstract sentence function, and the keyword function, with datasets from computer science domain and biomedical domain. Extensive experiments demonstrate the effectiveness of our method and statistically significant improvements against strong baselines. In particular, it achieves an average increase of 5% in Macro-F1 score compared with fine-tuning, and 6% in Macro-F1 score compared with other semi-supervised method under low-resource settings. In addition, MPT is a general method that can be easily applied to other low-resource scientific classification tasks.

Domain-specific named entity recognition (NER) on Computer Science (CS) scholarly articles is an information extraction task that is arguably more challenging for the various annotation aims that can beset the task and has been less studied than NER in the general domain. Given that significant progress has been made on NER, we believe that scholarly domain-specific NER will receive increasing attention in the years to come. Currently, progress on CS NER -- the focus of this work -- is hampered in part by its recency and the lack of a standardized annotation aim for scientific entities/terms. This work proposes a standardized task by defining a set of seven contribution-centric scholarly entities for CS NER viz., research problem, solution, resource, language, tool, method, and dataset. Following which, its main contributions are: combines existing CS NER resources that maintain their annotation focus on the set or subset of contribution-centric scholarly entities we consider; further, noting the need for big data to train neural NER models, this work additionally supplies thousands of contribution-centric entity annotations from article titles and abstracts, thus releasing a cumulative large novel resource for CS NER; and, finally, trains a sequence labeling CS NER model inspired after state-of-the-art neural architectures from the general domain NER task. Throughout the work, several practical considerations are made which can be useful to information technology designers of the digital libraries.

Pre-trained language models (PLMs) have been the de facto paradigm for most natural language processing (NLP) tasks. This also benefits biomedical domain: researchers from informatics, medicine, and computer science (CS) communities propose various PLMs trained on biomedical datasets, e.g., biomedical text, electronic health records, protein, and DNA sequences for various biomedical tasks. However, the cross-discipline characteristics of biomedical PLMs hinder their spreading among communities; some existing works are isolated from each other without comprehensive comparison and discussions. It expects a survey that not only systematically reviews recent advances of biomedical PLMs and their applications but also standardizes terminology and benchmarks. In this paper, we summarize the recent progress of pre-trained language models in the biomedical domain and their applications in biomedical downstream tasks. Particularly, we discuss the motivations and propose a taxonomy of existing biomedical PLMs. Their applications in biomedical downstream tasks are exhaustively discussed. At last, we illustrate various limitations and future trends, which we hope can provide inspiration for the future research of the research community.

Scientific progress depends on researchers' ability to synthesize the growing body of literature. Can large language models (LMs) assist scientists in this task? We introduce OpenScholar, a specialized retrieval-augmented LM that answers scientific queries by identifying relevant passages from 45 million open-access papers and synthesizing citation-backed responses. To evaluate OpenScholar, we develop ScholarQABench, the first large-scale multi-domain benchmark for literature search, comprising 2,967 expert-written queries and 208 long-form answers across computer science, physics, neuroscience, and biomedicine. On ScholarQABench, OpenScholar-8B outperforms GPT-4o by 5% and PaperQA2 by 7% in correctness, despite being a smaller, open model. While GPT4o hallucinates citations 78 to 90% of the time, OpenScholar achieves citation accuracy on par with human experts. OpenScholar's datastore, retriever, and self-feedback inference loop also improves off-the-shelf LMs: for instance, OpenScholar-GPT4o improves GPT-4o's correctness by 12%. In human evaluations, experts preferred OpenScholar-8B and OpenScholar-GPT4o responses over expert-written ones 51% and 70% of the time, respectively, compared to GPT4o's 32%. We open-source all of our code, models, datastore, data and a public demo.

Seeking answers to questions within long scientific research articles is a crucial area of study that aids readers in quickly addressing their inquiries. However, existing question-answering (QA) datasets based on scientific papers are limited in scale and focus solely on textual content. To address this limitation, we introduce SPIQA (Scientific Paper Image Question Answering), the first large-scale QA dataset specifically designed to interpret complex figures and tables within the context of scientific research articles across various domains of computer science. Leveraging the breadth of expertise and ability of multimodal large language models (MLLMs) to understand figures, we employ automatic and manual curation to create the dataset. We craft an information-seeking task involving multiple images that cover a wide variety of plots, charts, tables, schematic diagrams, and result visualizations. SPIQA comprises 270K questions divided into training, validation, and three different evaluation splits. Through extensive experiments with 12 prominent foundational models, we evaluate the ability of current multimodal systems to comprehend the nuanced aspects of research articles. Additionally, we propose a Chain-of-Thought (CoT) evaluation strategy with in-context retrieval that allows fine-grained, step-by-step assessment and improves model performance. We further explore the upper bounds of performance enhancement with additional textual information, highlighting its promising potential for future research and the dataset's impact on revolutionizing how we interact with scientific literature.

Recent advances in the area of legal information systems have led to a variety of applications that promise support in processing and accessing legal documents. Unfortunately, these applications have various limitations, e.g., regarding scope or extensibility. Furthermore, we do not observe a trend towards open access in digital libraries in the legal domain as we observe in other domains, e.g., economics of computer science. To improve open access in the legal domain, we present our approach for an open source platform to transparently process and access Legal Open Data. This enables the sustainable development of legal applications by offering a single technology stack. Moreover, the approach facilitates the development and deployment of new technologies. As proof of concept, we implemented six technologies and generated metadata for more than 250,000 German laws and court decisions. Thus, we can provide users of our platform not only access to legal documents, but also the contained information.

Recently, an increasing number of AI-driven programming assistants powered by code LLMs have been integrated into various real-world software development environments, significantly boosting developer productivity. However, existing code generation benchmarks primarily focus on general-purpose scenarios, leaving the code generation performance of LLMs for specific application domains largely unknown. In this paper, we introduce a new benchmark, MultiCodeBench, to fill this gap. MultiCodeBench comprises 2,400 programming tasks, covering 12 popular software development domains and 15 programming languages. Specifically, we perform in-depth research to identify these 12 application domains. Given that each domain may involve multiple technical frameworks, and that different frameworks present distinct challenges in the coding process, we categorize the commonly used frameworks and platforms within each domain. We then sample programming problems from GitHub repositories related to these subdomains. To ensure the quality of the tasks and mitigate data leakage issues, we invite annotators to rewrite the docstrings for each task in MultiCodeBench. Additionally, we build a static analysis-based dependency parsing tool to extract the dependencies in the ground truth for each task, enabling deeper performance analysis. Through extensive experiments on MultiCodeBench with eleven representative mainstream LLMs, we reveal the code generation performance of the LLMs across different application domains, providing practical insights for developers in downstream fields when selecting LLMs. Furthermore, we analyze the reasons behind the models' failures in completing software application development tasks, offering guidance for model developers to enhance domain-specific code generation capabilities.

How to evaluate Large Language Models (LLMs) in code generation remains an open question. Existing benchmarks have two limitations - data leakage and lack of domain-specific evaluation. The former hurts the fairness of benchmarks, and the latter hinders practitioners from selecting superior LLMs for specific programming domains. To address these two limitations, we propose a new benchmark - EvoCodeBench, which has the following advances: (1) Evolving data. EvoCodeBench will be dynamically updated every period (e.g., 6 months) to avoid data leakage. This paper releases the first version - EvoCodeBench-2403, containing 275 samples from 25 repositories. (2) A domain taxonomy and domain labels. Based on the statistics of open-source communities, we design a programming domain taxonomy consisting of 10 popular domains. Based on the taxonomy, we annotate each sample in EvoCodeBench with a domain label. (3) Domain-specific evaluations. Besides the Pass@k, we compute the Domain-Specific Improvement (DSI) and define LLMs' comfort and strange domains. These evaluations help practitioners select superior LLMs in specific domains and discover the shortcomings of existing LLMs. We evaluate 8 popular LLMs (e.g., gpt-4, DeepSeek Coder) on EvoCodeBench and summarize some insights. EvoCodeBench reveals the actual abilities of these LLMs in real-world repositories. For example, the highest Pass@1 of gpt-4 on EvoCodeBench-2403 is only 20.74%. Besides, we evaluate LLMs in different domains and discover their comfort and strange domains. For example, gpt-4 performs best in most domains but falls behind others in the Internet domain. StarCoder 2-15B unexpectedly performs well in the Database domain and even outperforms 33B LLMs. EvoCodeBench has been released.

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

Code benchmarks such as HumanEval are widely adopted to evaluate the capabilities of Large Language Models (LLMs), providing insights into their strengths and weaknesses. However, current benchmarks primarily exercise LLMs' capability on common coding tasks (e.g., bubble sort, greatest common divisor), leaving domain-specific coding tasks (e.g., computation, system, cryptography) unexplored. To fill this gap, we propose a multi-domain code benchmark, DOMAINEVAL, designed to evaluate LLMs' coding capabilities thoroughly. Our pipeline works in a fully automated manner, enabling a push-bottom construction from code repositories into formatted subjects under study. Interesting findings are observed by evaluating 12 representative LLMs against DOMAINEVAL. We notice that LLMs are generally good at computation tasks while falling short on cryptography and system coding tasks. The performance gap can be as much as 68.94% (80.94% - 12.0%) in some LLMs. We also observe that generating more samples can increase the overall performance of LLMs, while the domain bias may even increase. The contributions of this study include a code generation benchmark dataset DOMAINEVAL, encompassing six popular domains, a fully automated pipeline for constructing code benchmarks, and an identification of the limitations of LLMs in code generation tasks based on their performance on DOMAINEVAL, providing directions for future research improvements. The leaderboard is available at https://domaineval.github.io/.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

A Sense/Compute/Control (SCC) application is one that interacts with the physical environment. Such applications are pervasive in domains such as building automation, assisted living, and autonomic computing. Developing an SCC application is complex because: (1) the implementation must address both the interaction with the environment and the application logic; (2) any evolution in the environment must be reflected in the implementation of the application; (3) correctness is essential, as effects on the physical environment can have irreversible consequences. The SCC architectural pattern and the DiaSpec domain-specific design language propose a framework to guide the design of such applications. From a design description in DiaSpec, the DiaSpec compiler is capable of generating a programming framework that guides the developer in implementing the design and that provides runtime support. In this paper, we report on an experiment using DiaSpec (both the design language and compiler) to develop a standard robotics application. We discuss the benefits and problems of using DiaSpec in a robotics setting and present some changes that would make DiaSpec a better framework in this setting.

Open-domain code generation aims to generate code in a general-purpose programming language (such as Python) from natural language (NL) intents. Motivated by the intuition that developers usually retrieve resources on the web when writing code, we explore the effectiveness of incorporating two varieties of external knowledge into NL-to-code generation: automatically mined NL-code pairs from the online programming QA forum StackOverflow and programming language API documentation. Our evaluations show that combining the two sources with data augmentation and retrieval-based data re-sampling improves the current state-of-the-art by up to 2.2% absolute BLEU score on the code generation testbed CoNaLa. The code and resources are available at https://github.com/neulab/external-knowledge-codegen.

Instance-specific algorithm configuration and algorithm portfolios have been shown to offer significant improvements over single algorithm approaches in a variety of application domains. In the SAT and CSP domains algorithm portfolios have consistently dominated the main competitions in these fields for the past five years. For a portfolio approach to be effective there are two crucial conditions that must be met. First, there needs to be a collection of complementary solvers with which to make a portfolio. Second, there must be a collection of problem features that can accurately identify structural differences between instances. This paper focuses on the latter issue: feature representation, because, unlike SAT, not every problem has well-studied features. We employ the well-known SATzilla feature set, but compute alternative sets on different SAT encodings of CSPs. We show that regardless of what encoding is used to convert the instances, adequate structural information is maintained to differentiate between problem instances, and that this can be exploited to make an effective portfolio-based CSP solver.

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across diverse domains. Unlike traditional computational systems, LLMs combine raw computational power with an approximation of human reasoning, allowing them to generate solutions, make inferences, and even leverage external computational tools. However, applying LLMs to real-world problem-solving presents significant challenges, including multi-step reasoning, domain knowledge integration, and result verification. This survey explores the capabilities and limitations of LLMs in complex problem-solving, examining techniques including Chain-of-Thought (CoT) reasoning, knowledge augmentation, and various LLM-based and tool-based verification techniques. Additionally, we highlight domain-specific challenges in various domains, such as software engineering, mathematical reasoning and proving, data analysis and modeling, and scientific research. The paper further discusses the fundamental limitations of the current LLM solutions and the future directions of LLM-based complex problems solving from the perspective of multi-step reasoning, domain knowledge integration and result verification.

The rise of Large Language Models (LLMs) has revolutionized our comprehension of intelligence bringing us closer to Artificial Intelligence. Since their introduction, researchers have actively explored the applications of LLMs across diverse fields, significantly elevating capabilities. Cybersecurity, traditionally resistant to data-driven solutions and slow to embrace machine learning, stands out as a domain. This study examines the existing literature, providing a thorough characterization of both defensive and adversarial applications of LLMs within the realm of cybersecurity. Our review not only surveys and categorizes the current landscape but also identifies critical research gaps. By evaluating both offensive and defensive applications, we aim to provide a holistic understanding of the potential risks and opportunities associated with LLM-driven cybersecurity.

Large language models (LLMs) such as ChatGPT have shown remarkable capabilities in code generation. Despite their great success, their effectiveness within particular domains (e.g., web development) necessitates further evaluation. In this study, we conduct an empirical study of domain-specific code generation with LLMs. We demonstrate that LLMs exhibit sub-optimal performance in generating domain-specific code, due to their limited proficiency in utilizing domain-specific libraries. We further observe that incorporating API knowledge as prompts can empower LLMs to generate more professional code. Based on these findings, we further investigate how to efficiently incorporate API knowledge into the code generation process. We experiment with three strategies for incorporating domain knowledge, namely, external knowledge inquirer, chain-of-thought prompting, and chain-of-thought fine-tuning. We refer to these strategies as a new code generation approach called DomCoder. Experimental results show that all strategies of DomCoder lead to improvement in the effectiveness of domain-specific code generation under certain settings. The results also show that there is still ample room for further improvement, based on which we suggest possible future works.

This survey examines the rapidly evolving field of Deep Research systems -- AI-powered applications that automate complex research workflows through the integration of large language models, advanced information retrieval, and autonomous reasoning capabilities. We analyze more than 80 commercial and non-commercial implementations that have emerged since 2023, including OpenAI/Deep Research, Gemini/Deep Research, Perplexity/Deep Research, and numerous open-source alternatives. Through comprehensive examination, we propose a novel hierarchical taxonomy that categorizes systems according to four fundamental technical dimensions: foundation models and reasoning engines, tool utilization and environmental interaction, task planning and execution control, and knowledge synthesis and output generation. We explore the architectural patterns, implementation approaches, and domain-specific adaptations that characterize these systems across academic, scientific, business, and educational applications. Our analysis reveals both the significant capabilities of current implementations and the technical and ethical challenges they present regarding information accuracy, privacy, intellectual property, and accessibility. The survey concludes by identifying promising research directions in advanced reasoning architectures, multimodal integration, domain specialization, human-AI collaboration, and ecosystem standardization that will likely shape the future evolution of this transformative technology. By providing a comprehensive framework for understanding Deep Research systems, this survey contributes to both the theoretical understanding of AI-augmented knowledge work and the practical development of more capable, responsible, and accessible research technologies. The paper resources can be viewed at https://github.com/scienceaix/deepresearch.

Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples. Such systems are practically and theoretically important: from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference. Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have `solved' PBE. We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data. We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution. We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization. Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.

Generative AI and large language models have the potential to drastically improve the landscape of computing education by automatically generating personalized feedback and content. Recent works have studied the capabilities of these models for different programming education scenarios; however, these works considered only text-based programming, in particular, Python programming. Consequently, they leave open the question of how well these models would perform in visual programming domains popularly used for K-8 programming education. The main research question we study is: Do state-of-the-art generative models show advanced capabilities in visual programming on par with their capabilities in text-based Python programming? In our work, we evaluate two models, ChatGPT (based on GPT-3.5) and GPT-4, in visual programming domains for various scenarios and assess performance using expert-based annotations. In particular, we base our evaluation using reference tasks from the domains of Hour of Code: Maze Challenge by Code-dot-org and Karel. Our results show that these models perform poorly and struggle to combine spatial, logical, and programming skills crucial for visual programming. These results also provide exciting directions for future work on developing techniques to improve the performance of generative models in visual programming.

In the domain of Large Language Model (LLM), LLMs demonstrate significant capabilities in natural language understanding and generation. With the growing needs of applying LLMs on various domains, it is a research question that how to efficiently train and build a model that has expertise in different domains but with a low training cost. We propose CCoE architecture, a framework of easily coupling multiple strong domain experts together to fuse into a big LLM, provides a collective way of utilizing the different domain expert LLMs. Besides, training a large collaborative of multiple expert LLMs requires a high requirements on training sources. CCoE bypasses this problem through isolating other experts and train each expert separately. The design of CCoE assembles multiple expert LLMs through the CoE (Collaboration of Experts) layer. Each CoE layer could have one or more expert LLMs. Expert LLMs have different number of layers and have been well-trained for different domain tasks. Each expert is fine-tuned to be able to achieve the comparable results with SOTA domain LLMs. We start from 5 experts in the domain of Code, Math, Law, text-to-SQL and Medical. The results indicate that our CCoE framework can easily and efficiently boost nearly 10%-20% performance on original base model in different domains but using less resources on training, as well as inference.

DBLP is the largest open-access repository of scientific articles on computer science and provides metadata associated with publications, authors, and venues. We retrieved more than 6 million publications from DBLP and extracted pertinent metadata (e.g., abstracts, author affiliations, citations) from the publication texts to create the DBLP Discovery Dataset (D3). D3 can be used to identify trends in research activity, productivity, focus, bias, accessibility, and impact of computer science research. We present an initial analysis focused on the volume of computer science research (e.g., number of papers, authors, research activity), trends in topics of interest, and citation patterns. Our findings show that computer science is a growing research field (approx. 15% annually), with an active and collaborative researcher community. While papers in recent years present more bibliographical entries in comparison to previous decades, the average number of citations has been declining. Investigating papers' abstracts reveals that recent topic trends are clearly reflected in D3. Finally, we list further applications of D3 and pose supplemental research questions. The D3 dataset, our findings, and source code are publicly available for research purposes.

In the rapidly evolving semiconductor industry, where research, design, verification, and manufacturing are intricately linked, the potential of Large Language Models to revolutionize hardware design and security verification is immense. The primary challenge, however, lies in the complexity of hardware specific issues that are not adequately addressed by the natural language or software code knowledge typically acquired during the pretraining stage. Additionally, the scarcity of datasets specific to the hardware domain poses a significant hurdle in developing a foundational model. Addressing these challenges, this paper introduces Hardware Phi 1.5B, an innovative large language model specifically tailored for the hardware domain of the semiconductor industry. We have developed a specialized, tiered dataset comprising small, medium, and large subsets and focused our efforts on pretraining using the medium dataset. This approach harnesses the compact yet efficient architecture of the Phi 1.5B model. The creation of this first pretrained, hardware domain specific large language model marks a significant advancement, offering improved performance in hardware design and verification tasks and illustrating a promising path forward for AI applications in the semiconductor sector.

ChipNeMo aims to explore the applications of large language models (LLMs) for industrial chip design. Instead of directly deploying off-the-shelf commercial or open-source LLMs, we instead adopt the following domain adaptation techniques: custom tokenizers, domain-adaptive continued pretraining, supervised fine-tuning (SFT) with domain-specific instructions, and domain-adapted retrieval models. We evaluate these methods on three selected LLM applications for chip design: an engineering assistant chatbot, EDA script generation, and bug summarization and analysis. Our results show that these domain adaptation techniques enable significant LLM performance improvements over general-purpose base models across the three evaluated applications, enabling up to 5x model size reduction with similar or better performance on a range of design tasks. Our findings also indicate that there's still room for improvement between our current results and ideal outcomes. We believe that further investigation of domain-adapted LLM approaches will help close this gap in the future.

With easier access to powerful compute resources, there is a growing trend in the field of AI for software development to develop larger and larger language models (LLMs) to address a variety of programming tasks. Even LLMs applied to tasks from the high-performance computing (HPC) domain are huge in size (e.g., billions of parameters) and demand expensive compute resources for training. We found this design choice confusing - why do we need large LLMs trained on natural languages and programming languages unrelated to HPC for HPC-specific tasks? In this line of work, we aim to question design choices made by existing LLMs by developing smaller LLMs for specific domains - we call them domain-specific LLMs. Specifically, we start off with HPC as a domain and propose a novel tokenizer named Tokompiler, designed specifically for preprocessing code in HPC and compilation-centric tasks. Tokompiler leverages knowledge of language primitives to generate language-oriented tokens, providing a context-aware understanding of code structure while avoiding human semantics attributed to code structures completely. We applied Tokompiler to pre-train two state-of-the-art models, SPT-Code and Polycoder, for a Fortran code corpus mined from GitHub. We evaluate the performance of these models against the conventional LLMs. Results demonstrate that Tokompiler significantly enhances code completion accuracy and semantic understanding compared to traditional tokenizers in normalized-perplexity tests, down to ~1 perplexity score. This research opens avenues for further advancements in domain-specific LLMs, catering to the unique demands of HPC and compilation tasks.

General-purpose artificial intelligence (AI) systems are built on massive swathes of public web data, assembled into corpora such as C4, RefinedWeb, and Dolma. To our knowledge, we conduct the first, large-scale, longitudinal audit of the consent protocols for the web domains underlying AI training corpora. Our audit of 14,000 web domains provides an expansive view of crawlable web data and how consent preferences to use it are changing over time. We observe a proliferation of AI-specific clauses to limit use, acute differences in restrictions on AI developers, as well as general inconsistencies between websites' expressed intentions in their Terms of Service and their robots.txt. We diagnose these as symptoms of ineffective web protocols, not designed to cope with the widespread re-purposing of the internet for AI. Our longitudinal analyses show that in a single year (2023-2024) there has been a rapid crescendo of data restrictions from web sources, rendering ~5%+ of all tokens in C4, or 28%+ of the most actively maintained, critical sources in C4, fully restricted from use. For Terms of Service crawling restrictions, a full 45% of C4 is now restricted. If respected or enforced, these restrictions are rapidly biasing the diversity, freshness, and scaling laws for general-purpose AI systems. We hope to illustrate the emerging crisis in data consent, foreclosing much of the open web, not only for commercial AI, but non-commercial AI and academic purposes.

Developing domain models is one of the few remaining places that require manual human labor in AI planning. Thus, in order to make planning more accessible, it is desirable to automate the process of domain model generation. To this end, we investigate if large language models (LLMs) can be used to generate planning domain models from simple textual descriptions. Specifically, we introduce a framework for automated evaluation of LLM-generated domains by comparing the sets of plans for domain instances. Finally, we perform an empirical analysis of 7 large language models, including coding and chat models across 9 different planning domains, and under three classes of natural language domain descriptions. Our results indicate that LLMs, particularly those with high parameter counts, exhibit a moderate level of proficiency in generating correct planning domains from natural language descriptions. Our code is available at https://github.com/IBM/NL2PDDL.

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

Large Language Models (LLMs) have demonstrated significant enhancements in instruction-following abilities through instruction tuning, achieving notable performances across various tasks. Previous research has focused on fine-tuning medical domain-specific LLMs using an extensive array of medical-specific data, incorporating millions of pieces of biomedical literature to augment their medical capabilities. However, existing medical instruction-tuned LLMs have been constrained by the limited scope of tasks and instructions available, restricting the efficacy of instruction tuning and adversely affecting performance in the general domain. In this paper, we fine-tune LLaMA-series models using 52k diverse, machine-generated, medical instruction-following data, MedInstruct-52k, resulting in the model AlpaCare. Comprehensive experimental results on both general and medical-specific domain free-form instruction evaluations showcase AlpaCare's strong medical proficiency and generalizability compared to previous instruction-tuned models in both medical and general domains. We provide public access to our MedInstruct-52k dataset and a clinician-crafted free-form instruction test set, MedInstruct-test, along with our codebase, to foster further research and development. Our project page is available at https://github.com/XZhang97666/AlpaCare.

Neural Code Intelligence -- leveraging deep learning to understand, generate, and optimize code -- holds immense potential for transformative impacts on the whole society. Bridging the gap between Natural Language and Programming Language, this domain has drawn significant attention from researchers in both research communities over the past few years. This survey presents a systematic and chronological review of the advancements in code intelligence, encompassing over 50 representative models and their variants, more than 20 categories of tasks, and an extensive coverage of over 680 related works. We follow the historical progression to trace the paradigm shifts across different research phases (e.g., from modeling code with recurrent neural networks to the era of Large Language Models). Concurrently, we highlight the major technical transitions in models, tasks, and evaluations spanning through different stages. For applications, we also observe a co-evolving shift. It spans from initial endeavors to tackling specific scenarios, through exploring a diverse array of tasks during its rapid expansion, to currently focusing on tackling increasingly complex and varied real-world challenges. Building on our examination of the developmental trajectories, we further investigate the emerging synergies between code intelligence and broader machine intelligence, uncovering new cross-domain opportunities and illustrating the substantial influence of code intelligence across various domains. Finally, we delve into both the opportunities and challenges associated with this field, alongside elucidating our insights on the most promising research directions. An ongoing, dynamically updated project and resources associated with this survey have been released at https://github.com/QiushiSun/NCISurvey.

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

With easier access to powerful compute resources, there is a growing trend in AI for software development to develop large language models (LLMs) to address a variety of programming tasks. Even LLMs applied to tasks from the high-performance computing (HPC) domain are huge in size and demand expensive compute resources for training. This is partly because LLMs for HPC tasks are obtained by finetuning existing LLMs that support several natural and/or programming languages. We found this design choice confusing - why do we need LLMs trained on natural languages and programming languages unrelated to HPC for HPC-specific tasks? In this line of work, we aim to question choices made by existing LLMs by developing smaller language models (LMs) for specific domains - we call them domain-specific LMs. Specifically, we start with HPC as a domain and build an HPC-specific LM, named MonoCoder, which is orders of magnitude smaller than existing LMs but delivers better performance on non-HPC and HPC codes. Specifically, we pre-trained MonoCoder on an HPC-specific dataset (named HPCorpus) of C and C++ programs mined from GitHub. We evaluated the performance of MonoCoder against state-of-the-art multi-lingual LLMs. Results demonstrate that MonoCoder, although much smaller than existing LMs, outperforms other LLMs on normalized-perplexity tests (in relation to model size) while also delivering competing CodeBLEU scores for high-performance and parallel code generations. In other words, results suggest that MonoCoder understands HPC code better than state-of-the-art LLMs.

Much is promised in relation to AI-supported software development. However, there has been limited evaluation effort in the research domain aimed at validating the true utility of such techniques, especially when compared to human coding outputs. We bridge this gap, where a benchmark dataset comprising 72 distinct software engineering tasks is used to compare the effectiveness of large language models (LLMs) and human programmers in producing Python software code. GPT-4 is used as a representative LLM, where for the code generated by humans and this LLM, we evaluate code quality and adherence to Python coding standards, code security and vulnerabilities, code complexity and functional correctness. We use various static analysis benchmarks, including Pylint, Radon, Bandit and test cases. Among the notable outcomes, results show that human-generated code recorded higher ratings for adhering to coding standards than GPT-4. We observe security flaws in code generated by both humans and GPT-4, however, code generated by humans shows a greater variety of problems, but GPT-4 code included more severe outliers. Our results show that although GPT-4 is capable of producing coding solutions, it frequently produces more complex code that may need more reworking to ensure maintainability. On the contrary however, our outcomes show that a higher number of test cases passed for code generated by GPT-4 across a range of tasks than code that was generated by humans. That said, GPT-4 frequently struggles with complex problem-solving that involve in-depth domain knowledge. This study highlights the potential utility of LLMs for supporting software development, however, tasks requiring comprehensive, innovative or unconventional solutions, and careful debugging and error correction seem to be better developed by human programmers. We plot an agenda for the software engineering community.

Over the past year, there has been a notable rise in the use of large language models (LLMs) for academic research and industrial practices within the cybersecurity field. However, it remains a lack of comprehensive and publicly accessible benchmarks to evaluate the performance of LLMs on cybersecurity tasks. To address this gap, we introduce CS-Eval, a publicly accessible, comprehensive and bilingual LLM benchmark specifically designed for cybersecurity. CS-Eval synthesizes the research hotspots from academia and practical applications from industry, curating a diverse set of high-quality questions across 42 categories within cybersecurity, systematically organized into three cognitive levels: knowledge, ability, and application. Through an extensive evaluation of a wide range of LLMs using CS-Eval, we have uncovered valuable insights. For instance, while GPT-4 generally excels overall, other models may outperform it in certain specific subcategories. Additionally, by conducting evaluations over several months, we observed significant improvements in many LLMs' abilities to solve cybersecurity tasks. The benchmarks are now publicly available at https://github.com/CS-EVAL/CS-Eval.

Large Language Models (LLMs) have demonstrated the potential to address some issues within the semiconductor industry. However, they are often general-purpose models that lack the specialized knowledge needed to tackle the unique challenges of this sector, such as the intricate physics and chemistry of semiconductor devices and processes. SemiKong, the first industry-specific LLM for the semiconductor domain, provides a foundation that can be used to develop tailored proprietary models. With SemiKong 1.0, we aim to develop a foundational model capable of understanding etching problems at an expert level. Our key contributions include (a) curating a comprehensive corpus of semiconductor-related texts, (b) creating a foundational model with in-depth semiconductor knowledge, and (c) introducing a framework for integrating expert knowledge, thereby advancing the evaluation process of domain-specific AI models. Through fine-tuning a pre-trained LLM using our curated dataset, we have shown that SemiKong outperforms larger, general-purpose LLMs in various semiconductor manufacturing and design tasks. Our extensive experiments underscore the importance of developing domain-specific LLMs as a foundation for company- or tool-specific proprietary models, paving the way for further research and applications in the semiconductor domain. Code and dataset will be available at https://github.com/aitomatic/semikong

Ocean science, which delves into the oceans that are reservoirs of life and biodiversity, is of great significance given that oceans cover over 70% of our planet's surface. Recently, advances in Large Language Models (LLMs) have transformed the paradigm in science. Despite the success in other domains, current LLMs often fall short in catering to the needs of domain experts like oceanographers, and the potential of LLMs for ocean science is under-explored. The intrinsic reasons are the immense and intricate nature of ocean data as well as the necessity for higher granularity and richness in knowledge. To alleviate these issues, we introduce OceanGPT, the first-ever large language model in the ocean domain, which is expert in various ocean science tasks. We also propose OceanGPT, a novel framework to automatically obtain a large volume of ocean domain instruction data, which generates instructions based on multi-agent collaboration. Additionally, we construct the first oceanography benchmark, OceanBench, to evaluate the capabilities of LLMs in the ocean domain. Though comprehensive experiments, OceanGPT not only shows a higher level of knowledge expertise for oceans science tasks but also gains preliminary embodied intelligence capabilities in ocean technology.

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

As the capabilities of code large language models (LLMs) continue to expand, their applications across diverse code intelligence domains are rapidly increasing. However, most existing datasets only evaluate limited application domains. To address this gap, we have developed a comprehensive code evaluation dataset FullStack Bench focusing on full-stack programming, which encompasses a wide range of application domains (e.g., basic programming, data analysis, software engineering, mathematics, and machine learning). Besides, to assess multilingual programming capabilities, in FullStack Bench, we design real-world instructions and corresponding unit test cases from 16 widely-used programming languages to reflect real-world usage scenarios rather than simple translations. Moreover, we also release an effective code sandbox execution tool (i.e., SandboxFusion) supporting various programming languages and packages to evaluate the performance of our FullStack Bench efficiently. Comprehensive experimental results on our FullStack Bench demonstrate the necessity and effectiveness of our FullStack Bench and SandboxFusion.

The impressive performance of ChatGPT and other foundation-model-based products in human language understanding has prompted both academia and industry to explore how these models can be tailored for specific industries and application scenarios. This process, known as the customization of domain-specific foundation models (FMs), addresses the limitations of general-purpose models, which may not fully capture the unique patterns and requirements of domain-specific data. Despite its importance, there is a notable lack of comprehensive overview papers on building domain-specific FMs, while numerous resources exist for general-purpose models. To bridge this gap, this article provides a timely and thorough overview of the methodology for customizing domain-specific FMs. It introduces basic concepts, outlines the general architecture, and surveys key methods for constructing domain-specific models. Furthermore, the article discusses various domains that can benefit from these specialized models and highlights the challenges ahead. Through this overview, we aim to offer valuable guidance and reference for researchers and practitioners from diverse fields to develop their own customized FMs.

Cancer is a complex disease, the understanding and treatment of which are being aided through increases in the volume of collected data and in the scale of deployed computing power. Consequently, there is a growing need for the development of data-driven and, in particular, deep learning methods for various tasks such as cancer diagnosis, detection, prognosis, and prediction. Despite recent successes, however, designing high-performing deep learning models for nonimage and nontext cancer data is a time-consuming, trial-and-error, manual task that requires both cancer domain and deep learning expertise. To that end, we develop a reinforcement-learning-based neural architecture search to automate deep-learning-based predictive model development for a class of representative cancer data. We develop custom building blocks that allow domain experts to incorporate the cancer-data-specific characteristics. We show that our approach discovers deep neural network architectures that have significantly fewer trainable parameters, shorter training time, and accuracy similar to or higher than those of manually designed architectures. We study and demonstrate the scalability of our approach on up to 1,024 Intel Knights Landing nodes of the Theta supercomputer at the Argonne Leadership Computing Facility.

Federated Domain-specific Instruction Tuning (FedDIT) utilizes limited cross-client private data together with server-side public data for instruction augmentation, ultimately boosting model performance within specific domains. To date, the factors affecting FedDIT remain unclear, and existing instruction augmentation methods primarily focus on the centralized setting without considering distributed environments. Our experiments reveal that the cross-client domain coverage, rather than data heterogeneity, drives model performance in FedDIT. In response, we propose FedDCA, which optimizes domain coverage through greedy client center selection and retrieval-based augmentation. For client-side computational efficiency and system scalability, FedDCA^*, the variant of FedDCA, utilizes heterogeneous encoders with server-side feature alignment. Extensive experiments across four distinct domains (code, medical, financial, and mathematical) substantiate the effectiveness of both methods. Additionally, we investigate privacy preservation against memory extraction attacks utilizing various amounts of public data. Results show that there is no significant correlation between the volume of public data and the privacy-preserving capability. However, as the fine-tuning rounds increase, the risk of privacy leakage reduces or converges.

As the complexity of modern software continues to escalate, software engineering has become an increasingly daunting and error-prone endeavor. In recent years, the field of Neural Code Intelligence (NCI) has emerged as a promising solution, leveraging the power of deep learning techniques to tackle analytical tasks on source code with the goal of improving programming efficiency and minimizing human errors within the software industry. Pretrained language models have become a dominant force in NCI research, consistently delivering state-of-the-art results across a wide range of tasks, including code summarization, generation, and translation. In this paper, we present a comprehensive survey of the NCI domain, including a thorough review of pretraining techniques, tasks, datasets, and model architectures. We hope this paper will serve as a bridge between the natural language and programming language communities, offering insights for future research in this rapidly evolving field.

Instruction-tuning can be substantially optimized through enhanced diversity, resulting in models capable of handling a broader spectrum of tasks. However, existing data employed for such tuning often exhibit an inadequate coverage of individual domains, limiting the scope for nuanced comprehension and interactions within these areas. To address this deficiency, we propose Explore-Instruct, a novel approach to enhance the data coverage to be used in domain-specific instruction-tuning through active exploration via Large Language Models (LLMs). Built upon representative domain use cases, Explore-Instruct explores a multitude of variations or possibilities by implementing a search algorithm to obtain diversified and domain-focused instruction-tuning data. Our data-centric analysis validates the effectiveness of this proposed approach in improving domain-specific instruction coverage. Moreover, our model's performance demonstrates considerable advancements over multiple baselines, including those utilizing domain-specific data enhancement. Our findings offer a promising opportunity to improve instruction coverage, especially in domain-specific contexts, thereby advancing the development of adaptable language models. Our code, model weights, and data are public at https://github.com/fanqiwan/Explore-Instruct.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

The integration of knowledge extracted from diverse models, whether described by domain experts or generated by machine learning algorithms, has historically been challenged by the absence of a suitable framework for specifying and integrating structures, learning processes, data transformations, and data models or rules. In this work, we extend algebraic specification methods to address these challenges within such a framework. In our work, we tackle the challenging task of developing a comprehensive framework for defining and analyzing deep learning architectures. We believe that previous efforts have fallen short by failing to establish a clear connection between the constraints a model must adhere to and its actual implementation. Our methodology employs graphical structures that resemble Ehresmann's sketches, interpreted within a universe of fuzzy sets. This approach offers a unified theory that elegantly encompasses both deterministic and non-deterministic neural network designs. Furthermore, we highlight how this theory naturally incorporates fundamental concepts from computer science and automata theory. Our extended algebraic specification framework, grounded in graphical structures akin to Ehresmann's sketches, offers a promising solution for integrating knowledge across disparate models and domains. By bridging the gap between domain-specific expertise and machine-generated insights, we pave the way for more comprehensive, collaborative, and effective approaches to knowledge integration and modeling.

Domain adaptation aims to mitigate distribution shifts among different domains. However, traditional formulations are mostly limited to categorical domains, greatly simplifying nuanced domain relationships in the real world. In this work, we tackle a generalization with taxonomy-structured domains, which formalizes domains with nested, hierarchical similarity structures such as animal species and product catalogs. We build on the classic adversarial framework and introduce a novel taxonomist, which competes with the adversarial discriminator to preserve the taxonomy information. The equilibrium recovers the classic adversarial domain adaptation's solution if given a non-informative domain taxonomy (e.g., a flat taxonomy where all leaf nodes connect to the root node) while yielding non-trivial results with other taxonomies. Empirically, our method achieves state-of-the-art performance on both synthetic and real-world datasets with successful adaptation. Code is available at https://github.com/Wang-ML-Lab/TSDA.

In the field of Computer Science, conference and workshop papers serve as important contributions, carrying substantial weight in research assessment processes, compared to other disciplines. However, a considerable number of these papers are not assigned a Digital Object Identifier (DOI), hence their citations are not reported in widely used citation datasets like OpenCitations and Crossref, raising limitations to citation analysis. While the Microsoft Academic Graph (MAG) previously addressed this issue by providing substantial coverage, its discontinuation has created a void in available data. BIP! NDR aims to alleviate this issue and enhance the research assessment processes within the field of Computer Science. To accomplish this, it leverages a workflow that identifies and retrieves Open Science papers lacking DOIs from the DBLP Corpus, and by performing text analysis, it extracts citation information directly from their full text. The current version of the dataset contains more than 510K citations made by approximately 60K open access Computer Science conference or workshop papers that, according to DBLP, do not have a DOI.

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.

Recent developments show that Large Language Models (LLMs) produce state-of-the-art performance on natural language (NL) to code generation for resource-rich general-purpose languages like C++, Java, and Python. However, their practical usage for structured domain-specific languages (DSLs) such as YAML, JSON is limited due to domain-specific schema, grammar, and customizations generally unseen by LLMs during pre-training. Efforts have been made to mitigate this challenge via in-context learning through relevant examples or by fine-tuning. However, it suffers from problems, such as limited DSL samples and prompt sensitivity but enterprises maintain good documentation of the DSLs. Therefore, we propose DocCGen, a framework that can leverage such rich knowledge by breaking the NL-to-Code generation task for structured code languages into a two-step process. First, it detects the correct libraries using the library documentation that best matches the NL query. Then, it utilizes schema rules extracted from the documentation of these libraries to constrain the decoding. We evaluate our framework for two complex structured languages, Ansible YAML and Bash command, consisting of two settings: Out-of-domain (OOD) and In-domain (ID). Our extensive experiments show that DocCGen consistently improves different-sized language models across all six evaluation metrics, reducing syntactic and semantic errors in structured code. We plan to open-source the datasets and code to motivate research in constrained code generation.

Continual Test-Time Adaptation (CTTA) seeks to adapt source pre-trained models to continually changing, unseen target domains. While existing CTTA methods assume structured domain changes with uniform durations, real-world environments often exhibit dynamic patterns where domains recur with varying frequencies and durations. Current approaches, which adapt the same parameters across different domains, struggle in such dynamic conditions-they face convergence issues with brief domain exposures, risk forgetting previously learned knowledge, or misapplying it to irrelevant domains. To remedy this, we propose DPCore, a method designed for robust performance across diverse domain change patterns while ensuring computational efficiency. DPCore integrates three key components: Visual Prompt Adaptation for efficient domain alignment, a Prompt Coreset for knowledge preservation, and a Dynamic Update mechanism that intelligently adjusts existing prompts for similar domains while creating new ones for substantially different domains. Extensive experiments on four benchmarks demonstrate that DPCore consistently outperforms various CTTA methods, achieving state-of-the-art performance in both structured and dynamic settings while reducing trainable parameters by 99% and computation time by 64% compared to previous approaches.

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a search engine and then manually adapt found examples to their specific context of use. We put forward a vision based on a new breed of developer tools that have the potential to largely automate this process. The key idea is to adapt code autocompletion tools such that they take into account not only the developer's already-written code but also the intent of the task the developer is trying to achieve next, formulated in plain natural language. We call this practice of enriching the code with natural language intent to facilitate its completion natural language-guided programming. To show that this idea is feasible we design, implement and benchmark a tool that solves this problem in the context of a specific domain (data science) and a specific programming language (Python). Central to the tool is the use of language models trained on a large corpus of documented code. Our initial experiments confirm the feasibility of the idea but also make it clear that we have only scratched the surface of what may become possible in the future. We end the paper with a comprehensive research agenda to stimulate additional research in the budding area of natural language-guided programming.

Novel Class Discovery (NCD) is the problem of trying to discover novel classes in an unlabeled set, given a labeled set of different but related classes. The majority of NCD methods proposed so far only deal with image data, despite tabular data being among the most widely used type of data in practical applications. To interpret the results of clustering or NCD algorithms, data scientists need to understand the domain- and application-specific attributes of tabular data. This task is difficult and can often only be performed by a domain expert. Therefore, this interface allows a domain expert to easily run state-of-the-art algorithms for NCD in tabular data. With minimal knowledge in data science, interpretable results can be generated.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Microprocessor architects are increasingly resorting to domain-specific customization in the quest for high-performance and energy-efficiency. As the systems grow in complexity, fine-tuning architectural parameters across multiple sub-systems (e.g., datapath, memory blocks in different hierarchies, interconnects, compiler optimization, etc.) quickly results in a combinatorial explosion of design space. This makes domain-specific customization an extremely challenging task. Prior work explores using reinforcement learning (RL) and other optimization methods to automatically explore the large design space. However, these methods have traditionally relied on single-agent RL/ML formulations. It is unclear how scalable single-agent formulations are as we increase the complexity of the design space (e.g., full stack System-on-Chip design). Therefore, we propose an alternative formulation that leverages Multi-Agent RL (MARL) to tackle this problem. The key idea behind using MARL is an observation that parameters across different sub-systems are more or less independent, thus allowing a decentralized role assigned to each agent. We test this hypothesis by designing domain-specific DRAM memory controller for several workload traces. Our evaluation shows that the MARL formulation consistently outperforms single-agent RL baselines such as Proximal Policy Optimization and Soft Actor-Critic over different target objectives such as low power and latency. To this end, this work opens the pathway for new and promising research in MARL solutions for hardware architecture search.

Recent breakthroughs in large language models (LLMs) exemplified by the impressive mathematical and scientific reasoning capabilities of the o1 model have spotlighted the critical importance of high-quality training data in advancing LLM performance across STEM disciplines. While the mathematics community has benefited from a growing body of curated datasets, the scientific domain at the higher education level has long suffered from a scarcity of comparable resources. To address this gap, we present SCP-116K, a new large-scale dataset of 116,756 high-quality problem-solution pairs, automatically extracted from heterogeneous sources using a streamlined and highly generalizable pipeline. Our approach involves stringent filtering to ensure the scientific rigor and educational level of the extracted materials, while maintaining adaptability for future expansions or domain transfers. By openly releasing both the dataset and the extraction pipeline, we seek to foster research on scientific reasoning, enable comprehensive performance evaluations of new LLMs, and lower the barrier to replicating the successes of advanced models like o1 in the broader science community. We believe SCP-116K will serve as a critical resource, catalyzing progress in high-level scientific reasoning tasks and promoting further innovations in LLM development. The dataset and code are publicly available at https://github.com/AQA6666/SCP-116K-open.

In the landscape of publicly available patent retrieval datasets, the need for explicit indomain and out-of-domain labeling, multi-jurisdiction coverage, balanced query domain representation and manageable sizes that support sub document level experiments on moderate computational resources is often overlooked. To address these gaps, we propose DAPFAM, a new open access domain-aware patent retrieval dataset constructed at the simple-family level. The dataset contains 1,247 domain balanced full text query families and 45,336 full text target families. The dataset is enriched by clear relevance judgments (forward/backward citations as positive links, random negatives), as well as explicit in-domain or out-of-domain relationships via a novel proposed labelling scheme based on via International Patent Classification (IPC) codes, resulting in 49,869 evaluation pairs. The dataset is multi jurisdictional, requires little to no preprocessing for retrieval evaluation, and remains of a size manageable for entities with limited ressources allowing for sub document level retrieval experiments without excessive computational costs. We describe our three-step data-curation pipeline, present comprehensive dataset statistics, and provide baseline experiments using lexical and neural retrieval methods. Our baseline experiments highlight significant challenges in crossdomain patent retrieval. The dataset will be publicly available (for now the access link is this repository: https://osf.io/vbyzd/?view_only=1a40242e0d1941a58aa854af3e50cf6b).

To evaluate code large language models (LLMs), research has relied on a few small manually curated benchmarks, such as HumanEval and MBPP, which represent a narrow part of the real-world software domains. In this work, we introduce round-trip correctness (RTC) as an alternative evaluation method. RTC allows Code LLM evaluation on a broader spectrum of real-world software domains without the need for costly human curation. RTC rests on the idea that we can ask a model to make a prediction (e.g., describe some code using natural language), feed that prediction back (e.g., synthesize code from the predicted description), and check if this round-trip leads to code that is semantically equivalent to the original input. We show how to employ RTC to evaluate code synthesis and editing. We find that RTC strongly correlates with model performance on existing narrow-domain code synthesis benchmarks while allowing us to expand to a much broader set of domains and tasks which was not previously possible without costly human annotations.

Pre-training Large Language Models (LLMs) on high-quality, meticulously curated datasets is widely recognized as critical for enhancing their performance and generalization capabilities. This study explores the untapped potential of Common Crawl as a comprehensive and flexible resource for pre-training LLMs, addressing both general-purpose language understanding and specialized domain knowledge. We introduce RedStone, an innovative and scalable pipeline engineered to extract and process data from Common Crawl, facilitating the creation of extensive and varied pre-training datasets. Unlike traditional datasets, which often require expensive curation and domain-specific expertise, RedStone leverages the breadth of Common Crawl to deliver datasets tailored to a wide array of domains. In this work, we exemplify its capability by constructing pre-training datasets across multiple fields, including general language understanding, code, mathematics, and question-answering tasks. The flexibility of RedStone allows for easy adaptation to other specialized domains, significantly lowering the barrier to creating valuable domain-specific datasets. Our findings demonstrate that Common Crawl, when harnessed through effective pipelines like RedStone, can serve as a rich, renewable source of pre-training data, unlocking new avenues for domain adaptation and knowledge discovery in LLMs. This work also underscores the importance of innovative data acquisition strategies and highlights the role of web-scale data as a powerful resource in the continued evolution of LLMs. RedStone code and data samples will be publicly available at https://aka.ms/redstone.

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while neglecting the scientific domain, largely due to the absence of open, large-scale, high-quality, verifiable scientific reasoning datasets. To bridge this gap, we first present TextbookReasoning, an open dataset featuring truthful reference answers extracted from 12k university-level scientific textbooks, comprising 650k reasoning questions spanning 7 scientific disciplines. We further introduce MegaScience, a large-scale mixture of high-quality open-source datasets totaling 1.25 million instances, developed through systematic ablation studies that evaluate various data selection methodologies to identify the optimal subset for each publicly available scientific dataset. Meanwhile, we build a comprehensive evaluation system covering diverse subjects and question types across 15 benchmarks, incorporating comprehensive answer extraction strategies to ensure accurate evaluation metrics. Our experiments demonstrate that our datasets achieve superior performance and training efficiency with more concise response lengths compared to existing open-source scientific datasets. Furthermore, we train Llama3.1, Qwen2.5, and Qwen3 series base models on MegaScience, which significantly outperform the corresponding official instruct models in average performance. In addition, MegaScience exhibits greater effectiveness for larger and stronger models, suggesting a scaling benefit for scientific tuning. We release our data curation pipeline, evaluation system, datasets, and seven trained models to the community to advance scientific reasoning research.

Large language models (LLMs) have recently demonstrated a remarkable ability to generate code from natural language (NL) prompts. However, in the real world, NL is often too ambiguous to capture the true intent behind programming problems, requiring additional input-output (I/O) specifications. Unfortunately, LLMs can have difficulty aligning their outputs with both the NL prompt and the I/O specification. In this paper, we give a way to mitigate this issue in the context of data science programming, where tasks require explicit I/O specifications for clarity. Specifically, we propose GIFT4Code, a novel approach for the instruction fine-tuning of LLMs with respect to I/O specifications. Our method leverages synthetic data produced by the LLM itself and utilizes execution-derived feedback as a key learning signal. This feedback, in the form of program I/O specifications, is provided to the LLM to facilitate instruction fine-tuning. We evaluated our approach on two challenging data science benchmarks, Arcade and DS-1000. The results demonstrate a significant improvement in the LLM's ability to generate code that is not only executable but also accurately aligned with user specifications, substantially improving the quality of code generation for complex data science tasks.

The recent LLMs like GPT-4 and PaLM-2 have made tremendous progress in solving fundamental math problems like GSM8K by achieving over 90\% accuracy. However, their capabilities to solve more challenging math problems which require domain-specific knowledge (i.e. theorem) have yet to be investigated. In this paper, we introduce TheoremQA, the first theorem-driven question-answering dataset designed to evaluate AI models' capabilities to apply theorems to solve challenging science problems. \dataset is curated by domain experts containing 800 high-quality questions covering 350 theoremse.g. Taylor's theorem, Lagrange's theorem, Huffman coding, Quantum Theorem, Elasticity Theorem, etc from Math, Physics, EE\&CS, and Finance. We evaluate a wide spectrum of 16 large language and code models with different prompting strategies like Chain-of-Thoughts and Program-of-Thoughts. We found that GPT-4's capabilities to solve these problems are unparalleled, achieving an accuracy of 51\% with Program-of-Thoughts Prompting. All the existing open-sourced models are below 15\%, barely surpassing the random-guess baseline. Given the diversity and broad coverage of \dataset, we believe it can be used as a better benchmark to evaluate LLMs' capabilities to solve challenging science problems. The data and code are released in https://github.com/wenhuchen/TheoremQA.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

With the widespread use of AI systems and applications in our everyday lives, it is important to take fairness issues into consideration while designing and engineering these types of systems. Such systems can be used in many sensitive environments to make important and life-changing decisions; thus, it is crucial to ensure that the decisions do not reflect discriminatory behavior toward certain groups or populations. We have recently seen work in machine learning, natural language processing, and deep learning that addresses such challenges in different subdomains. With the commercialization of these systems, researchers are becoming aware of the biases that these applications can contain and have attempted to address them. In this survey we investigated different real-world applications that have shown biases in various ways, and we listed different sources of biases that can affect AI applications. We then created a taxonomy for fairness definitions that machine learning researchers have defined in order to avoid the existing bias in AI systems. In addition to that, we examined different domains and subdomains in AI showing what researchers have observed with regard to unfair outcomes in the state-of-the-art methods and how they have tried to address them. There are still many future directions and solutions that can be taken to mitigate the problem of bias in AI systems. We are hoping that this survey will motivate researchers to tackle these issues in the near future by observing existing work in their respective fields.

The proliferation of open-source scientific software for science and research presents opportunities and challenges. In this paper, we introduce the SciCat dataset -- a comprehensive collection of Free-Libre Open Source Software (FLOSS) projects, designed to address the need for a curated repository of scientific and research software. This collection is crucial for understanding the creation of scientific software and aiding in its development. To ensure extensive coverage, our approach involves selecting projects from a pool of 131 million deforked repositories from the World of Code data source. Subsequently, we analyze README.md files using OpenAI's advanced language models. Our classification focuses on software designed for scientific purposes, research-related projects, and research support software. The SciCat dataset aims to become an invaluable tool for researching science-related software, shedding light on emerging trends, prevalent practices, and challenges in the field of scientific software development. Furthermore, it includes data that can be linked to the World of Code, GitHub, and other platforms, providing a solid foundation for conducting comparative studies between scientific and non-scientific software.

This paper presents LLM4SecHW, a novel framework for hardware debugging that leverages domain specific Large Language Model (LLM). Despite the success of LLMs in automating various software development tasks, their application in the hardware security domain has been limited due to the constraints of commercial LLMs and the scarcity of domain specific data. To address these challenges, we propose a unique approach to compile a dataset of open source hardware design defects and their remediation steps, utilizing version control data. This dataset provides a substantial foundation for training machine learning models for hardware. LLM4SecHW employs fine tuning of medium sized LLMs based on this dataset, enabling the identification and rectification of bugs in hardware designs. This pioneering approach offers a reference workflow for the application of fine tuning domain specific LLMs in other research areas. We evaluate the performance of our proposed system on various open source hardware designs, demonstrating its efficacy in accurately identifying and correcting defects. Our work brings a new perspective on automating the quality control process in hardware design.

As large language models (LLMs) rapidly advance, their role in code generation has expanded significantly. While this offers streamlined development, it also creates concerns in areas like education and job interviews. Consequently, developing robust systems to detect AI-generated code is imperative to maintain academic integrity and ensure fairness in hiring processes. In this study, we introduce MultiAIGCD, a dataset for AI-generated code detection for Python, Java, and Go. From the CodeNet dataset's problem definitions and human-authored codes, we generate several code samples in Java, Python, and Go with six different LLMs and three different prompts. This generation process covered three key usage scenarios: (i) generating code from problem descriptions, (ii) fixing runtime errors in human-written code, and (iii) correcting incorrect outputs. Overall, MultiAIGCD consists of 121,271 AI-generated and 32,148 human-written code snippets. We also benchmark three state-of-the-art AI-generated code detection models and assess their performance in various test scenarios such as cross-model and cross-language. We share our dataset and codes to support research in this field.

While large language models (LLMs) have been widely applied to code generation, they struggle with generating entire deep learning projects, which are characterized by complex structures, longer functions, and stronger reliance on domain knowledge than general-purpose code. An open-domain LLM often lacks coherent contextual guidance and domain expertise for specific projects, making it challenging to produce complete code that fully meets user requirements. In this paper, we propose a novel planning-guided code generation method, DLCodeGen, tailored for generating deep learning projects. DLCodeGen predicts a structured solution plan, offering global guidance for LLMs to generate the project. The generated plan is then leveraged to retrieve semantically analogous code samples and subsequently abstract a code template. To effectively integrate these multiple retrieval-augmented techniques, a comparative learning mechanism is designed to generate the final code. We validate the effectiveness of our approach on a dataset we build for deep learning code generation. Experimental results demonstrate that DLCodeGen outperforms other baselines, achieving improvements of 9.7% in CodeBLEU and 3.6% in human evaluation metrics.

Pre-trained language models like ChatGPT have significantly improved code generation. As these models scale up, there is an increasing need for the output to handle more intricate tasks. Moreover, in bioinformatics, generating functional programs poses additional notable challenges due to the amount of domain knowledge, the need for complicated data operations, and intricate functional dependencies between the operations. Here, we present BioCoder, a benchmark developed to evaluate existing pre-trained models in generating bioinformatics code. In relation to function-code generation, BioCoder covers potential package dependencies, class declarations, and global variables. It incorporates 1026 functions and 1243 methods in Python and Java from GitHub and 253 examples from the Rosalind Project. BioCoder incorporates a fuzz-testing framework for evaluation, and we have applied it to evaluate many models including InCoder, CodeGen, CodeGen2, SantaCoder, StarCoder, StarCoder+, InstructCodeT5+, and ChatGPT. Our detailed analysis of these models emphasizes the importance of domain knowledge, pragmatic code generation, and contextual understanding. Our dataset, benchmark, Docker images, and scripts required for testing are all available at https://github.com/gersteinlab/biocoder.

The rapid advancement of Large Language Models (LLMs) has opened up new opportunities for leveraging artificial intelligence in various domains, including cybersecurity. As the volume and sophistication of cyber threats continue to grow, there is an increasing need for intelligent systems that can automatically detect vulnerabilities, analyze malware, and respond to attacks. In this survey, we conduct a comprehensive review of the literature on the application of LLMs in cybersecurity (LLM4Security). By comprehensively collecting over 30K relevant papers and systematically analyzing 127 papers from top security and software engineering venues, we aim to provide a holistic view of how LLMs are being used to solve diverse problems across the cybersecurity domain. Through our analysis, we identify several key findings. First, we observe that LLMs are being applied to a wide range of cybersecurity tasks, including vulnerability detection, malware analysis, network intrusion detection, and phishing detection. Second, we find that the datasets used for training and evaluating LLMs in these tasks are often limited in size and diversity, highlighting the need for more comprehensive and representative datasets. Third, we identify several promising techniques for adapting LLMs to specific cybersecurity domains, such as fine-tuning, transfer learning, and domain-specific pre-training. Finally, we discuss the main challenges and opportunities for future research in LLM4Security, including the need for more interpretable and explainable models, the importance of addressing data privacy and security concerns, and the potential for leveraging LLMs for proactive defense and threat hunting. Overall, our survey provides a comprehensive overview of the current state-of-the-art in LLM4Security and identifies several promising directions for future research.

Modern deep learning applications require increasingly more compute to train state-of-the-art models. To address this demand, large corporations and institutions use dedicated High-Performance Computing clusters, whose construction and maintenance are both environmentally costly and well beyond the budget of most organizations. As a result, some research directions become the exclusive domain of a few large industrial and even fewer academic actors. To alleviate this disparity, smaller groups may pool their computational resources and run collaborative experiments that benefit all participants. This paradigm, known as grid- or volunteer computing, has seen successful applications in numerous scientific areas. However, using this approach for machine learning is difficult due to high latency, asymmetric bandwidth, and several challenges unique to volunteer computing. In this work, we carefully analyze these constraints and propose a novel algorithmic framework designed specifically for collaborative training. We demonstrate the effectiveness of our approach for SwAV and ALBERT pretraining in realistic conditions and achieve performance comparable to traditional setups at a fraction of the cost. Finally, we provide a detailed report of successful collaborative language model pretraining with 40 participants.

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks, bridging the gap between natural languages (NL) and programming languages (PL). Foundational models such as the Generative Pre-trained Transformer (GPT) and LLaMA series have set strong baseline performances in various NL and PL tasks. Additionally, several models have been fine-tuned specifically for code generation, showing significant improvements in code-related applications. Both foundational and fine-tuned models are increasingly used in education, helping students write, debug, and understand code. We present a comprehensive systematic literature review to examine the impact of LLMs in computer science and computer engineering education. We analyze their effectiveness in enhancing the learning experience, supporting personalized education, and aiding educators in curriculum development. We address five research questions to uncover insights into how LLMs contribute to educational outcomes, identify challenges, and suggest directions for future research.

Despite the substantial success of Information Retrieval (IR) in various NLP tasks, most IR systems predominantly handle queries and corpora in natural language, neglecting the domain of code retrieval. Code retrieval is critically important yet remains under-explored, with existing methods and benchmarks inadequately representing the diversity of code in various domains and tasks. Addressing this gap, we present \name (Code Information Retrieval Benchmark), a robust and comprehensive benchmark specifically designed to assess code retrieval capabilities. \name comprises ten meticulously curated code datasets, spanning eight distinctive retrieval tasks across seven diverse domains. We first discuss the construction of \name and its diverse dataset composition. Further, we evaluate nine widely used retrieval models using \name, uncovering significant difficulties in performing code retrieval tasks even with state-of-the-art systems. To facilitate easy adoption and integration within existing research workflows, \name has been developed as a user-friendly Python framework, readily installable via pip. It shares same data schema as other popular benchmarks like MTEB and BEIR, enabling seamless cross-benchmark evaluations. Through \name, we aim to invigorate research in the code retrieval domain, providing a versatile benchmarking tool that encourages further development and exploration of code retrieval systems\url{ https://github.com/CoIR-team/coir}.

There is a growing interest in applying pre-trained large language models (LLMs) to planning problems. However, methods that use LLMs directly as planners are currently impractical due to several factors, including limited correctness of plans, strong reliance on feedback from interactions with simulators or even the actual environment, and the inefficiency in utilizing human feedback. In this work, we introduce a novel alternative paradigm that constructs an explicit world (domain) model in planning domain definition language (PDDL) and then uses it to plan with sound domain-independent planners. To address the fact that LLMs may not generate a fully functional PDDL model initially, we employ LLMs as an interface between PDDL and sources of corrective feedback, such as PDDL validators and humans. For users who lack a background in PDDL, we show that LLMs can translate PDDL into natural language and effectively encode corrective feedback back to the underlying domain model. Our framework not only enjoys the correctness guarantee offered by the external planners but also reduces human involvement by allowing users to correct domain models at the beginning, rather than inspecting and correcting (through interactive prompting) every generated plan as in previous work. On two IPC domains and a Household domain that is more complicated than commonly used benchmarks such as ALFWorld, we demonstrate that GPT-4 can be leveraged to produce high-quality PDDL models for over 40 actions, and the corrected PDDL models are then used to successfully solve 48 challenging planning tasks. Resources including the source code will be released at: https://guansuns.github.io/pages/llm-dm.

Artificial Intelligence (AI) has made incredible progress recently. On the one hand, advanced foundation models like ChatGPT can offer powerful conversation, in-context learning and code generation abilities on a broad range of open-domain tasks. They can also generate high-level solution outlines for domain-specific tasks based on the common sense knowledge they have acquired. However, they still face difficulties with some specialized tasks because they lack enough domain-specific data during pre-training or they often have errors in their neural network computations on those tasks that need accurate executions. On the other hand, there are also many existing models and systems (symbolic-based or neural-based) that can do some domain-specific tasks very well. However, due to the different implementation or working mechanisms, they are not easily accessible or compatible with foundation models. Therefore, there is a clear and pressing need for a mechanism that can leverage foundation models to propose task solution outlines and then automatically match some of the sub-tasks in the outlines to the off-the-shelf models and systems with special functionalities to complete them. Inspired by this, we introduce TaskMatrix.AI as a new AI ecosystem that connects foundation models with millions of APIs for task completion. Unlike most previous work that aimed to improve a single AI model, TaskMatrix.AI focuses more on using existing foundation models (as a brain-like central system) and APIs of other AI models and systems (as sub-task solvers) to achieve diversified tasks in both digital and physical domains. As a position paper, we will present our vision of how to build such an ecosystem, explain each key component, and use study cases to illustrate both the feasibility of this vision and the main challenges we need to address next.

Since language models (LMs) now outperform average humans on many challenging tasks, it has become increasingly difficult to develop challenging, high-quality, and realistic evaluations. We address this issue by examining LMs' capabilities to generate code for solving real scientific research problems. Incorporating input from scientists and AI researchers in 16 diverse natural science sub-fields, including mathematics, physics, chemistry, biology, and materials science, we created a scientist-curated coding benchmark, SciCode. The problems in SciCode naturally factorize into multiple subproblems, each involving knowledge recall, reasoning, and code synthesis. In total, SciCode contains 338 subproblems decomposed from 80 challenging main problems. It offers optional descriptions specifying useful scientific background information and scientist-annotated gold-standard solutions and test cases for evaluation. Claude3.5-Sonnet, the best-performing model among those tested, can solve only 4.6% of the problems in the most realistic setting. We believe that SciCode demonstrates both contemporary LMs' progress towards becoming helpful scientific assistants and sheds light on the development and evaluation of scientific AI in the future.

Domain generalization is critical for real-world applications of machine learning to microscopy images, including histopathology and fluorescence imaging. Artifacts in these modalities arise through a complex combination of factors relating to tissue collection and laboratory processing, as well as factors intrinsic to patient samples. In fluorescence imaging, these artifacts stem from variations across experimental batches. The complexity and subtlety of these artifacts make the enumeration of data domains intractable. Therefore, augmentation-based methods of domain generalization that require domain identifiers and manual fine-tuning are inadequate in this setting. To overcome this challenge, we introduce ContriMix, a domain generalization technique that learns to generate synthetic images by disentangling and permuting the biological content ("content") and technical variations ("attributes") in microscopy images. ContriMix does not rely on domain identifiers or handcrafted augmentations and makes no assumptions about the input characteristics of images. We assess the performance of ContriMix on two pathology datasets dealing with patch classification and Whole Slide Image label prediction tasks respectively (Camelyon17-WILDS and RCC subtyping), and one fluorescence microscopy dataset (RxRx1-WILDS). Without any access to domain identifiers at train or test time, ContriMix performs similar or better than current state-of-the-art methods in all these datasets, motivating its usage for microscopy image analysis in real-world settings where domain information is hard to come by. The code for ContriMix can be found at https://gitlab.com/huutan86/contrimix

The growing demand for Domain-Specific Architecture (DSA) has driven the development of Agile Hardware Development Methodology (AHDM). Hardware Construction Language (HCL) like Chisel offers high-level abstraction features, making it an ideal language for HCL-Based AHDM. While Large Language Models (LLMs) excel in code generation tasks, they still face challenges with Chisel generation, particularly regarding syntax correctness and design variability. Recent reasoning models have significantly enhanced code generation capabilities through test-time scaling techniques. However, we found that reasoning models without domain adaptation cannot bring substantial benefits to Chisel code generation tasks. This paper presents ChiseLLM, a solution comprising data processing and transformation, prompt-guided reasoning trace synthesis, and domain-adapted model training. We constructed high-quality datasets from public RTL code resources and guided the model to adopt structured thinking patterns through prompt enhancement methods. Experiments demonstrate that our ChiseLLM-7B and ChiseLLM-32B models improved syntax correctness by 18.85% and 26.32% respectively over base models, while increasing variability design ability by 47.58% compared to baseline reasoning models. Our datasets and models are publicly available, providing high-performance, cost-effective models for HCL-Based AHDM, and offering an effective baseline for future research. Github repository: https://github.com/observerw/ChiseLLM

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

Large Language models have demonstrated excellent domain-specific question-answering capabilities when finetuned with a particular dataset of that specific domain. However, fine-tuning the models requires a significant amount of training time and a considerable amount of hardware. In this work, we propose CARE (Customer Assistance and Response Engine), a lightweight model made by fine-tuning Phi3.5-mini on very minimal hardware and data, designed to handle queries primarily across three domains: telecommunications support, medical support, and banking support. For telecommunications and banking, the chatbot addresses issues and problems faced by customers regularly in the above-mentioned domains. In the medical domain, CARE provides preliminary support by offering basic diagnoses and medical suggestions that a user might take before consulting a healthcare professional. Since CARE is built on Phi3.5-mini, it can be used even on mobile devices, increasing its usability. Our research also shows that CARE performs relatively well on various medical benchmarks, indicating that it can be used to make basic medical suggestions.

We introduce TechQA, a domain-adaptation question answering dataset for the technical support domain. The TechQA corpus highlights two real-world issues from the automated customer support domain. First, it contains actual questions posed by users on a technical forum, rather than questions generated specifically for a competition or a task. Second, it has a real-world size -- 600 training, 310 dev, and 490 evaluation question/answer pairs -- thus reflecting the cost of creating large labeled datasets with actual data. Consequently, TechQA is meant to stimulate research in domain adaptation rather than being a resource to build QA systems from scratch. The dataset was obtained by crawling the IBM Developer and IBM DeveloperWorks forums for questions with accepted answers that appear in a published IBM Technote---a technical document that addresses a specific technical issue. We also release a collection of the 801,998 publicly available Technotes as of April 4, 2019 as a companion resource that might be used for pretraining, to learn representations of the IT domain language.

Large language models (LLMs) have been increasingly applied to various domains, which triggers increasing concerns about LLMs' safety on specialized domains, e.g. medicine. However, testing the domain-specific safety of LLMs is challenging due to the lack of domain knowledge-driven attacks in existing benchmarks. To bridge this gap, we propose a new task, knowledge-to-jailbreak, which aims to generate jailbreaks from domain knowledge to evaluate the safety of LLMs when applied to those domains. We collect a large-scale dataset with 12,974 knowledge-jailbreak pairs and fine-tune a large language model as jailbreak-generator, to produce domain knowledge-specific jailbreaks. Experiments on 13 domains and 8 target LLMs demonstrate the effectiveness of jailbreak-generator in generating jailbreaks that are both relevant to the given knowledge and harmful to the target LLMs. We also apply our method to an out-of-domain knowledge base, showing that jailbreak-generator can generate jailbreaks that are comparable in harmfulness to those crafted by human experts. Data and code: https://github.com/THU-KEG/Knowledge-to-Jailbreak/.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

Recent work by (Richardson and Kuhn, 2017a,b; Richardson et al., 2018) looks at semantic parser induction and question answering in the domain of source code libraries and APIs. In this brief note, we formalize the representations being learned in these studies and introduce a simple domain specific language and a systematic translation from this language to first-order logic. By recasting the target representations in terms of classical logic, we aim to broaden the applicability of existing code datasets for investigating more complex natural language understanding and reasoning problems in the software domain.

Recent work shows Large Language Models (LLMs) struggle to understand natural language constraints for various text generation tasks in zero- and few-shot settings. While, in the code domain, there is wide usage of constraints in code format to maintain the integrity of code written in Domain-Specific Languages (DSLs) like JSON and YAML which are widely used for system-level programming tasks in enterprises. Given that LLMs are increasingly used for system-level code tasks, evaluating if they can comprehend these code constraints is crucial. However, no work has been done to evaluate their controllability over code constraints. Hence, we introduce ConCodeEval, a first-of-its-kind benchmark having two novel tasks for code constraints across five representations. Our findings suggest that language models struggle with code constraints. Code languages that perform excellently for normal code tasks do not perform well when the same languages represent fine-grained constraints.

As large language models (LLMs) continue to advance, the need for up-to-date and well-organized benchmarks becomes increasingly critical. However, many existing datasets are scattered, difficult to manage, and make it challenging to perform evaluations tailored to specific needs or domains, despite the growing importance of domain-specific models in areas such as math or code. In this paper, we introduce BenchHub, a dynamic benchmark repository that empowers researchers and developers to evaluate LLMs more effectively. BenchHub aggregates and automatically classifies benchmark datasets from diverse domains, integrating 303K questions across 38 benchmarks. It is designed to support continuous updates and scalable data management, enabling flexible and customizable evaluation tailored to various domains or use cases. Through extensive experiments with various LLM families, we demonstrate that model performance varies significantly across domain-specific subsets, emphasizing the importance of domain-aware benchmarking. We believe BenchHub can encourage better dataset reuse, more transparent model comparisons, and easier identification of underrepresented areas in existing benchmarks, offering a critical infrastructure for advancing LLM evaluation research.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shifts. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure that measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates the superiority of CIL over existing invariance learning methods. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

Code language models have emerged as useful tools for various programming tasks, yet they often struggle when it comes to complex ones. In this paper, we explore the potential of curriculum learning in enhancing the performance of these models. While prior research has suggested that curriculum learning does not necessarily help in improving the performance of language models, our results surprisingly show that this may not be the case for code language models. We demonstrate that a well-designed curriculum learning approach significantly improves the accuracy of small decoder-only code language models on the task of code execution, while its effect on code completion is less significant. To explore the potential of curriculum learning, we train multiple GPT models with 1 million parameters each to predict the next token and evaluate them on code completion and execution tasks. Our contributions include proposing a novel code difficulty assessment metric by combining software code measures, investigating the effectiveness of Curriculum Learning for code language models, and introducing a Novel Curriculum Learning schedule that enhances the performance of small decoder-only language models in code execution tasks. The results of this paper open the door for more research on the use of curriculum learning for code language models.

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

Recent advancements in Chain-of-Thoughts (CoT) and Program-of-Thoughts (PoT) methods have greatly enhanced language models' mathematical reasoning capabilities, facilitating their integration into instruction tuning datasets with LLMs. However, existing methods for large-scale dataset creation require substantial seed data and high computational costs for data synthesis, posing significant challenges for scalability. We introduce InfinityMATH, a scalable instruction tuning dataset for programmatic mathematical reasoning. The construction pipeline emphasizes decoupling numbers from mathematical problems to synthesize number-independent programs, enabling efficient and flexible scaling while minimizing dependency on specific numerical values. Fine-tuning experiments with open-source language and code models, such as Llama2 and CodeLlama, demonstrate the practical benefits of InfinityMATH. These fine-tuned models, showed significant relative improvements on both in-domain and out-of-domain benchmarks, ranging from 184.7% to 514.3% on average. Additionally, these models exhibited high robustness on the GSM8K+ and MATH+ benchmarks, which are enhanced version of test sets with simply the number variations. InfinityMATH ensures that models are more versatile and effective across a broader range of mathematical problems. The data is available at https://huggingface.co/datasets/flagopen/InfinityMATH.

This paper presents a quantitative program verification infrastructure for discrete probabilistic programs. Our infrastructure can be viewed as the probabilistic analogue of Boogie: its central components are an intermediate verification language (IVL) together with a real-valued logic. Our IVL provides a programming-language-style for expressing verification conditions whose validity implies the correctness of a program under investigation. As our focus is on verifying quantitative properties such as bounds on expected outcomes, expected run-times, or termination probabilities, off-the-shelf IVLs based on Boolean first-order logic do not suffice. Instead, a paradigm shift from the standard Boolean to a real-valued domain is required. Our IVL features quantitative generalizations of standard verification constructs such as assume- and assert-statements. Verification conditions are generated by a weakest-precondition-style semantics, based on our real-valued logic. We show that our verification infrastructure supports natural encodings of numerous verification techniques from the literature. With our SMT-based implementation, we automatically verify a variety of benchmarks. To the best of our knowledge, this establishes the first deductive verification infrastructure for expectation-based reasoning about probabilistic programs.

Large language models (LLMs) have demonstrated remarkable capabilities in code-related tasks, such as code understanding and code generation. However, an equally important yet underexplored question is whether LLMs can serve as general-purpose surrogate code executors, to predict the output and behavior of a program without actually running it. To systematically investigate this capability, we introduce SURGE, a comprehensive benchmark covering eight key aspects: multi-language programming tasks, competition-level programming problems, repository-level code analysis, high-cost scientific computing, time-complexity-intensive algorithms, buggy code analysis, programs dependent on specific compilers or execution environments, and formal mathematical proof verification. We evaluate multiple open-source and proprietary LLMs on SURGE and conduct a scaling study to analyze the impact of model size and training data scale on surrogate execution accuracy. Additionally, we categorize model prediction errors and explore potential areas for improvement. Our findings indicate that while LLMs can predict code execution results in certain cases, they exhibit limitations in general-purpose surrogate execution. This study provides empirical insights into the feasibility of using LLMs as surrogate code executors. Code and dataset are released at https://github.com/Imbernoulli/SURGE.

In the evolving landscape of software development, Large Language Models (LLMs) exhibit a unique phenomenon known as emergent abilities, demonstrating adeptness across numerous tasks, from text summarization to code generation. While these abilities open up novel avenues in software design and crafting, their incorporation presents substantial challenges. Developers grapple with decisions surrounding the direct embedding of LLMs within applications versus employing them for code generation. Moreover, effective prompt design becomes a critical concern, given the necessity of data extraction from natural language outputs. To address these intricacies, this paper introduces AskIt, a domain-specific language (DSL) specifically designed for LLMs. AskIt simplifies LLM integration, offering type-guided output control, template-based function definitions, and a unified interface that diminishes the distinction between LLM-based code generation and application integration. Furthermore, through Programming by Example (PBE), AskIt harnesses the power of few-shot learning at the programming language level. Our evaluations underscore AskIt's potency. Across 50 tasks, AskIt generated concise prompts for the given tasks, achieving a 16.14% reduction in prompt length relative to benchmarks. Additionally, by enabling the transition from direct LLM application usage to function generation, AskIt achieved significant speedups, as observed in our GSM8K benchmark experiments. Through these advancements, AskIt streamlines the integration of LLMs in software development, offering a more efficient, versatile approach for leveraging emergent abilities. The implementations of AskIt in TypeScript and Python are available at https://github.com/katsumiok/ts-askit and https://github.com/katsumiok/pyaskit, respectively.

Multimodal large language models (MLLMs) have shown great potential in general domains but perform poorly in some specific domains due to a lack of domain-specific data, such as image-text data or vedio-text data. In some specific domains, there is abundant graphic and textual data scattered around, but lacks standardized arrangement. In the field of medical ultrasound, there are ultrasonic diagnostic books, ultrasonic clinical guidelines, ultrasonic diagnostic reports, and so on. However, these ultrasonic materials are often saved in the forms of PDF, images, etc., and cannot be directly used for the training of MLLMs. This paper proposes a novel image-text reasoning supervised fine-tuning data generation pipeline to create specific domain quadruplets (image, question, thinking trace, and answer) from domain-specific materials. A medical ultrasound domain dataset ReMUD is established, containing over 45,000 reasoning and non-reasoning supervised fine-tuning Question Answering (QA) and Visual Question Answering (VQA) data. The ReMUD-7B model, fine-tuned on Qwen2.5-VL-7B-Instruct, outperforms general-domain MLLMs in medical ultrasound field. To facilitate research, the ReMUD dataset, data generation codebase, and ReMUD-7B parameters will be released at https://github.com/ShiDaizi/ReMUD, addressing the data shortage issue in specific domain MLLMs.

Modern large language models often encode sensitive, harmful, or copyrighted knowledge, raising the need for post-hoc unlearning-the ability to remove specific domains of knowledge from a model without full retraining. A major bottleneck in current unlearning pipelines is constructing effective forget sets-datasets that approximate the target domain and guide the model to forget it. In this work, we introduce a scalable, automated approach to generate high-quality forget sets using language models themselves. Our method synthesizes textbook-style data through a structured prompting pipeline, requiring only a domain name as input. Through experiments on unlearning biosecurity, cybersecurity, and Harry Potter novels, we show that our synthetic datasets consistently outperform the baseline synthetic alternatives and are comparable to the expert-curated ones. Additionally, ablation studies reveal that the multi-step generation pipeline significantly boosts data diversity, which in turn improves unlearning utility. Overall, our findings suggest that synthetic datasets offer a promising path toward practical, scalable unlearning for a wide range of emerging domains without the need for manual intervention. We release our code and dataset at https://github.com/xyzhu123/Synthetic_Textbook.

Recently, there has been growing interest in using Large Language Models (LLMs) for scientific research. Numerous benchmarks have been proposed to evaluate the ability of LLMs for scientific research. However, current benchmarks are mostly based on pre-collected objective questions. This design suffers from data leakage problem and lacks the evaluation of subjective Q/A ability. In this paper, we propose SciEval, a comprehensive and multi-disciplinary evaluation benchmark to address these issues. Based on Bloom's taxonomy, SciEval covers four dimensions to systematically evaluate scientific research ability. In particular, we design a "dynamic" subset based on scientific principles to prevent evaluation from potential data leakage. Both objective and subjective questions are included in SciEval. These characteristics make SciEval a more effective benchmark for scientific research ability evaluation of LLMs. Comprehensive experiments on most advanced LLMs show that, although GPT-4 achieves SOTA performance compared to other LLMs, there is still substantial room for improvement, especially for dynamic questions. The data and codes are now publicly available.

The emerging trend of advancing generalist artificial intelligence, such as GPTv4 and Gemini, has reshaped the landscape of research (academia and industry) in machine learning and many other research areas. However, domain-specific applications of such foundation models (e.g., in medicine) remain untouched or often at their very early stages. It will require an individual set of transfer learning and model adaptation techniques by further expanding and injecting these models with domain knowledge and data. The development of such technologies could be largely accelerated if the bundle of data, algorithms, and pre-trained foundation models were gathered together and open-sourced in an organized manner. In this work, we present OpenMEDLab, an open-source platform for multi-modality foundation models. It encapsulates not only solutions of pioneering attempts in prompting and fine-tuning large language and vision models for frontline clinical and bioinformatic applications but also building domain-specific foundation models with large-scale multi-modal medical data. Importantly, it opens access to a group of pre-trained foundation models for various medical image modalities, clinical text, protein engineering, etc. Inspiring and competitive results are also demonstrated for each collected approach and model in a variety of benchmarks for downstream tasks. We welcome researchers in the field of medical artificial intelligence to continuously contribute cutting-edge methods and models to OpenMEDLab, which can be accessed via https://github.com/openmedlab.

Recently, large language models (LLMs), especially those that are pretrained on code, have demonstrated strong capabilities in generating programs from natural language inputs in a few-shot or even zero-shot manner. Despite promising results, there is a notable lack of a comprehensive evaluation of these models language-to-code generation capabilities. Existing studies often focus on specific tasks, model architectures, or learning paradigms, leading to a fragmented understanding of the overall landscape. In this work, we present L2CEval, a systematic evaluation of the language-to-code generation capabilities of LLMs on 7 tasks across the domain spectrum of semantic parsing, math reasoning and Python programming, analyzing the factors that potentially affect their performance, such as model size, pretraining data, instruction tuning, and different prompting methods. In addition to assessing model performance, we measure confidence calibration for the models and conduct human evaluations of the output programs. This enables us to identify and analyze the typical failure modes across various tasks and models. L2CEval offers a comprehensive understanding of the capabilities and limitations of LLMs in language-to-code generation. We also release the evaluation framework and all model outputs, hoping to lay the groundwork for further future research in this domain.

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.

While large language models (LLMs) are increasingly being used for program synthesis, they lack the global view needed to develop useful abstractions; they generally predict programs one at a time, often repeating the same functionality. Generating redundant code from scratch is both inefficient and error-prone. To address this, we propose Refactoring for Generalizable Abstraction Learning (ReGAL), a gradient-free method for learning a library of reusable functions via code refactorization, i.e. restructuring code without changing its execution output. ReGAL learns from a small set of existing programs, iteratively verifying and refining its abstractions via execution. We find that the shared function libraries discovered by ReGAL make programs easier to predict across diverse domains. On three datasets (LOGO graphics generation, Date reasoning, and TextCraft, a Minecraft-based text game), both open-source and proprietary LLMs improve in accuracy when predicting programs with ReGAL functions. For CodeLlama-13B, ReGAL results in absolute accuracy increases of 11.5% on graphics, 26.1% on date understanding, and 8.1% on TextCraft, outperforming GPT-3.5 in two of three domains. Our analysis reveals ReGAL's abstractions encapsulate frequently-used subroutines as well as environment dynamics.

Intellectual Property (IP) is a unique domain that integrates technical and legal knowledge, making it inherently complex and knowledge-intensive. As large language models (LLMs) continue to advance, they show great potential for processing IP tasks, enabling more efficient analysis, understanding, and generation of IP-related content. However, existing datasets and benchmarks either focus narrowly on patents or cover limited aspects of the IP field, lacking alignment with real-world scenarios. To bridge this gap, we introduce the first comprehensive IP task taxonomy and a large, diverse bilingual benchmark, IPBench, covering 8 IP mechanisms and 20 tasks. This benchmark is designed to evaluate LLMs in real-world intellectual property applications, encompassing both understanding and generation. We benchmark 16 LLMs, ranging from general-purpose to domain-specific models, and find that even the best-performing model achieves only 75.8% accuracy, revealing substantial room for improvement. Notably, open-source IP and law-oriented models lag behind closed-source general-purpose models. We publicly release all data and code of IPBench and will continue to update it with additional IP-related tasks to better reflect real-world challenges in the intellectual property domain.

Creating programs to correctly manipulate data is a difficult task, as the underlying programming languages and APIs can be challenging to learn for many users who are not skilled programmers. Large language models (LLMs) demonstrate remarkable potential for generating code from natural language, but in the data manipulation domain, apart from the natural language (NL) description of the intended task, we also have the dataset on which the task is to be performed, or the "data context". Existing approaches have utilized data context in a limited way by simply adding relevant information from the input data into the prompts sent to the LLM. In this work, we utilize the available input data to execute the candidate programs generated by the LLMs and gather their outputs. We introduce semantic reranking, a technique to rerank the programs generated by LLMs based on three signals coming the program outputs: (a) semantic filtering and well-formedness based score tuning: do programs even generate well-formed outputs, (b) semantic interleaving: how do the outputs from different candidates compare to each other, and (c) output-based score tuning: how do the outputs compare to outputs predicted for the same task. We provide theoretical justification for semantic interleaving. We also introduce temperature mixing, where we combine samples generated by LLMs using both high and low temperatures. We extensively evaluate our approach in three domains, namely databases (SQL), data science (Pandas) and business intelligence (Excel's Power Query M) on a variety of new and existing benchmarks. We observe substantial gains across domains, with improvements of up to 45% in top-1 accuracy and 34% in top-3 accuracy.

Background: The C and C++ languages hold significant importance in Software Engineering research because of their widespread use in practice. Numerous studies have utilized Machine Learning (ML) and Deep Learning (DL) techniques to detect software vulnerabilities (SVs) in the source code written in these languages. However, the application of these techniques in function-level SV assessment has been largely unexplored. SV assessment is increasingly crucial as it provides detailed information on the exploitability, impacts, and severity of security defects, thereby aiding in their prioritization and remediation. Aims: We conduct the first empirical study to investigate and compare the performance of ML and DL models, many of which have been used for SV detection, for function-level SV assessment in C/C++. Method: Using 9,993 vulnerable C/C++ functions, we evaluated the performance of six multi-class ML models and five multi-class DL models for the SV assessment at the function level based on the Common Vulnerability Scoring System (CVSS). We further explore multi-task learning, which can leverage common vulnerable code to predict all SV assessment outputs simultaneously in a single model, and compare the effectiveness and efficiency of this model type with those of the original multi-class models. Results: We show that ML has matching or even better performance compared to the multi-class DL models for function-level SV assessment with significantly less training time. Employing multi-task learning allows the DL models to perform significantly better, with an average of 8-22% increase in Matthews Correlation Coefficient (MCC). Conclusions: We distill the practices of using data-driven techniques for function-level SV assessment in C/C++, including the use of multi-task DL to balance efficiency and effectiveness. This can establish a strong foundation for future work in this area.

The cross-domain text-to-SQL task aims to build a system that can parse user questions into SQL on complete unseen databases, and the single-domain text-to-SQL task evaluates the performance on identical databases. Both of these setups confront unavoidable difficulties in real-world applications. To this end, we introduce the cross-schema text-to-SQL task, where the databases of evaluation data are different from that in the training data but come from the same domain. Furthermore, we present CSS, a large-scale CrosS-Schema Chinese text-to-SQL dataset, to carry on corresponding studies. CSS originally consisted of 4,340 question/SQL pairs across 2 databases. In order to generalize models to different medical systems, we extend CSS and create 19 new databases along with 29,280 corresponding dataset examples. Moreover, CSS is also a large corpus for single-domain Chinese text-to-SQL studies. We present the data collection approach and a series of analyses of the data statistics. To show the potential and usefulness of CSS, benchmarking baselines have been conducted and reported. Our dataset is publicly available at https://huggingface.co/datasets/zhanghanchong/css.

Code generation plays a crucial role in various tasks, such as code auto-completion and mathematical reasoning. Previous work has proposed numerous methods to enhance code generation performance, including integrating feedback from the compiler. Inspired by this, we present ReflectionCoder, a novel approach that effectively leverages reflection sequences constructed by integrating compiler feedback to improve one-off code generation performance. Furthermore, we propose reflection self-distillation and dynamically masked distillation to effectively utilize these reflection sequences. Extensive experiments on three benchmarks, i.e., HumanEval (+), MBPP (+), and MultiPl-E, demonstrate that models fine-tuned with our method achieve state-of-the-art performance. Notably, ReflectionCoder-DeepSeek-Coder-33B reaches pass@1 of 82.9 (76.8) on HumanEval (+) and 84.1 (72.0) on MBPP (+), on par with GPT-3.5-Turbo and Claude-3-opus, and surpasses early GPT-4. Beyond the code domain, we believe this approach can benefit other domains that focus on final results and require long reasoning paths. Code and data are available at https://github.com/SenseLLM/ReflectionCoder.

We present a benchmark for large language models designed to tackle one of the most knowledge-intensive tasks in data science: writing feature engineering code, which requires domain knowledge in addition to a deep understanding of the underlying problem and data structure. The model is provided with a dataset description in a prompt and asked to generate code transforming it. The evaluation score is derived from the improvement achieved by an XGBoost model fit on the modified dataset compared to the original data. By an extensive evaluation of state-of-the-art models and comparison to well-established benchmarks, we demonstrate that the FeatEng of our proposal can cheaply and efficiently assess the broad capabilities of LLMs, in contrast to the existing methods.

Machine learning (ML) has the potential to revolutionize various domains, but its adoption is often hindered by the disconnect between the needs of domain experts and translating these needs into robust and valid ML tools. Despite recent advances in LLM-based co-pilots to democratize ML for non-technical domain experts, these systems remain predominantly focused on model-centric aspects while overlooking critical data-centric challenges. This limitation is problematic in complex real-world settings where raw data often contains complex issues, such as missing values, label noise, and domain-specific nuances requiring tailored handling. To address this we introduce CliMB-DC, a human-guided, data-centric framework for LLM co-pilots that combines advanced data-centric tools with LLM-driven reasoning to enable robust, context-aware data processing. At its core, CliMB-DC introduces a novel, multi-agent reasoning system that combines a strategic coordinator for dynamic planning and adaptation with a specialized worker agent for precise execution. Domain expertise is then systematically incorporated to guide the reasoning process using a human-in-the-loop approach. To guide development, we formalize a taxonomy of key data-centric challenges that co-pilots must address. Thereafter, to address the dimensions of the taxonomy, we integrate state-of-the-art data-centric tools into an extensible, open-source architecture, facilitating the addition of new tools from the research community. Empirically, using real-world healthcare datasets we demonstrate CliMB-DC's ability to transform uncurated datasets into ML-ready formats, significantly outperforming existing co-pilot baselines for handling data-centric challenges. CliMB-DC promises to empower domain experts from diverse domains -- healthcare, finance, social sciences and more -- to actively participate in driving real-world impact using ML.

We present KNOW--the Knowledge Navigator Ontology for the World--the first ontology designed to capture everyday knowledge to augment large language models (LLMs) in real-world generative AI use cases such as personal AI assistants. Our domain is human life, both its everyday concerns and its major milestones. We have limited the initial scope of the modeled concepts to only established human universals: spacetime (places, events) plus social (people, groups, organizations). The inclusion criteria for modeled concepts are pragmatic, beginning with universality and utility. We compare and contrast previous work such as Schema.org and Cyc--as well as attempts at a synthesis of knowledge graphs and language models--noting how LLMs already encode internally much of the commonsense tacit knowledge that took decades to capture in the Cyc project. We also make available code-generated software libraries for the 12 most popular programming languages, enabling the direct use of ontology concepts in software engineering. We emphasize simplicity and developer experience in promoting AI interoperability.

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.

Millions of new pieces of malicious software (i.e., malware) are introduced each year. This poses significant challenges for antivirus vendors, who use machine learning to detect and analyze malware, and must keep up with changes in the distribution while retaining knowledge of older variants. Continual learning (CL) holds the potential to address this challenge by reducing the storage and computational costs of regularly retraining over all the collected data. Prior work, however, shows that CL techniques, which are designed primarily for computer vision tasks, fare poorly when applied to malware classification. To address these issues, we begin with an exploratory analysis of a typical malware dataset, which reveals that malware families are diverse and difficult to characterize, requiring a wide variety of samples to learn a robust representation. Based on these findings, we propose Malware Analysis with Diversity-Aware Replay (MADAR), a CL framework that accounts for the unique properties and challenges of the malware data distribution. Through extensive evaluation on large-scale Windows and Android malware datasets, we show that MADAR significantly outperforms prior work. This highlights the importance of understanding domain characteristics when designing CL techniques and demonstrates a path forward for the malware classification domain.

Computing olympiads contain some of the most challenging problems for humans, requiring complex algorithmic reasoning, puzzle solving, in addition to generating efficient code. However, it has been understudied as a domain to evaluate language models (LMs). In this paper, we introduce the USACO benchmark with 307 problems from the USA Computing Olympiad, along with high-quality unit tests, reference code, and official analyses for each problem. These resources enable us to construct and test a range of LM inference methods for competitive programming for the first time. We find GPT-4 only achieves a 8.7% pass@1 accuracy with zero-shot chain-of-thought prompting, and our best inference method improves it to 20.2% using a combination of self-reflection and retrieval over episodic knowledge. However, this is far from solving the benchmark. To better understand the remaining challenges, we design a novel human-in-the-loop study and surprisingly find that a small number of targeted hints enable GPT-4 to solve 13 out of 15 problems previously unsolvable by any model and method. Our benchmark, baseline methods, quantitative results, and qualitative analysis serve as an initial step toward LMs with grounded, creative, and algorithmic reasoning.

There is burgeoning interest in designing AI-based systems to assist humans in designing computing systems, including tools that automatically generate computer code. The most notable of these comes in the form of the first self-described `AI pair programmer', GitHub Copilot, a language model trained over open-source GitHub code. However, code often contains bugs - and so, given the vast quantity of unvetted code that Copilot has processed, it is certain that the language model will have learned from exploitable, buggy code. This raises concerns on the security of Copilot's code contributions. In this work, we systematically investigate the prevalence and conditions that can cause GitHub Copilot to recommend insecure code. To perform this analysis we prompt Copilot to generate code in scenarios relevant to high-risk CWEs (e.g. those from MITRE's "Top 25" list). We explore Copilot's performance on three distinct code generation axes -- examining how it performs given diversity of weaknesses, diversity of prompts, and diversity of domains. In total, we produce 89 different scenarios for Copilot to complete, producing 1,689 programs. Of these, we found approximately 40% to be vulnerable.

To extend the scope of coding queries to more realistic settings, we propose ODEX, the first Open-Domain EXecution-based natural language (NL) to Python code generation dataset. ODEX has 945 NL-Code pairs spanning 79 diverse libraries, along with 1,707 human-written test cases for execution. Our NL-Code pairs are harvested from StackOverflow forums to encourage natural and practical coding queries. Moreover, ODEX supports four natural languages as intents, in English, Spanish, Japanese, and Russian. ODEX unveils intriguing behavioral differences among top-performing code language models (LM). While CODEX achieves better overall results, CODEGEN improves effectively via scaling -- CODEGEN 6.1B performs comparably with CODEX 12B. Both models show substantial gaps between open and closed domains, but CODEGEN gaps tend to decrease with model size while CODEX gaps increase. We release ODEX to facilitate research into open-domain problems for the code generation community.

In recent years, Wi-Fi sensing has garnered significant attention due to its numerous benefits, such as privacy protection, low cost, and penetration ability. Extensive research has been conducted in this field, focusing on areas such as gesture recognition, people identification, and fall detection. However, many data-driven methods encounter challenges related to domain shift, where the model fails to perform well in environments different from the training data. One major factor contributing to this issue is the limited availability of Wi-Fi sensing datasets, which makes models learn excessive irrelevant information and over-fit to the training set. Unfortunately, collecting large-scale Wi-Fi sensing datasets across diverse scenarios is a challenging task. To address this problem, we propose CrossFi, a siamese network-based approach that excels in both in-domain scenario and cross-domain scenario, including few-shot, zero-shot scenarios, and even works in few-shot new-class scenario where testing set contains new categories. The core component of CrossFi is a sample-similarity calculation network called CSi-Net, which improves the structure of the siamese network by using an attention mechanism to capture similarity information, instead of simply calculating the distance or cosine similarity. Based on it, we develop an extra Weight-Net that can generate a template for each class, so that our CrossFi can work in different scenarios. Experimental results demonstrate that our CrossFi achieves state-of-the-art performance across various scenarios. In gesture recognition task, our CrossFi achieves an accuracy of 98.17% in in-domain scenario, 91.72% in one-shot cross-domain scenario, 64.81% in zero-shot cross-domain scenario, and 84.75% in one-shot new-class scenario. The code for our model is publicly available at https://github.com/RS2002/CrossFi.

This paper proposes a novel column generation framework for combinatorial software testing. In particular, it combines Mathematical Programming and Constraint Programming in a hybrid decomposition to generate covering arrays. The approach allows generating parameterized test cases with coverage guarantees between parameter interactions of a given application. Compared to exhaustive testing, combinatorial test case generation reduces the number of tests to run significantly. Our column generation algorithm is generic and can accommodate mixed coverage arrays over heterogeneous alphabets. The algorithm is realized in practice as a cloud service and recognized as one of the five winners of the company-wide cloud application challenge at Oracle. The service is currently helping software developers from a range of different product teams in their testing efforts while exposing declarative constraint models and hybrid optimization techniques to a broader audience.

This study explores the performance of large language models (LLMs) in solving competitive programming problems from the Romanian Informatics Olympiad at the county level. Romania, a leading nation in computer science competitions, provides an ideal environment for evaluating LLM capabilities due to its rich history and stringent competition standards. We collected and analyzed a dataset comprising 304 challenges from 2002 to 2023, focusing on solutions written by LLMs in C++ and Python for these problems. Our primary goal is to understand why LLMs perform well or poorly on different tasks. We evaluated various models, including closed-source models like GPT-4 and open-weight models such as CodeLlama and RoMistral, using a standardized process involving multiple attempts and feedback rounds. The analysis revealed significant variations in LLM performance across different grades and problem types. Notably, GPT-4 showed strong performance, indicating its potential use as an educational tool for middle school students. We also observed differences in code quality and style across various LLMs

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Evaluating Large Language Models (LLMs) is crucial for understanding their capabilities and limitations across various applications, including natural language processing and code generation. Existing benchmarks like MMLU, C-Eval, and HumanEval assess general LLM performance but lack focus on specific expert domains such as cybersecurity. Previous attempts to create cybersecurity datasets have faced limitations, including insufficient data volume and a reliance on multiple-choice questions (MCQs). To address these gaps, we propose SecBench, a multi-dimensional benchmarking dataset designed to evaluate LLMs in the cybersecurity domain. SecBench includes questions in various formats (MCQs and short-answer questions (SAQs)), at different capability levels (Knowledge Retention and Logical Reasoning), in multiple languages (Chinese and English), and across various sub-domains. The dataset was constructed by collecting high-quality data from open sources and organizing a Cybersecurity Question Design Contest, resulting in 44,823 MCQs and 3,087 SAQs. Particularly, we used the powerful while cost-effective LLMs to (1). label the data and (2). constructing a grading agent for automatic evaluation of SAQs. Benchmarking results on 16 SOTA LLMs demonstrate the usability of SecBench, which is arguably the largest and most comprehensive benchmark dataset for LLMs in cybersecurity. More information about SecBench can be found at our website, and the dataset can be accessed via the artifact link.

This study evaluates the effectiveness of various large language models (LLMs) in performing tasks common among undergraduate computer science students. Although a number of research studies in the computing education community have explored the possibility of using LLMs for a variety of tasks, there is a lack of comprehensive research comparing different LLMs and evaluating which LLMs are most effective for different tasks. Our research systematically assesses some of the publicly available LLMs such as Google Bard, ChatGPT(3.5), GitHub Copilot Chat, and Microsoft Copilot across diverse tasks commonly encountered by undergraduate computer science students in India. These tasks include code explanation and documentation, solving class assignments, technical interview preparation, learning new concepts and frameworks, and email writing. Evaluation for these tasks was carried out by pre-final year and final year undergraduate computer science students and provides insights into the models' strengths and limitations. This study aims to guide students as well as instructors in selecting suitable LLMs for any specific task and offers valuable insights on how LLMs can be used constructively by students and instructors.

The game of chess is the most widely-studied domain in the history of artificial intelligence. The strongest programs are based on a combination of sophisticated search techniques, domain-specific adaptations, and handcrafted evaluation functions that have been refined by human experts over several decades. In contrast, the AlphaGo Zero program recently achieved superhuman performance in the game of Go, by tabula rasa reinforcement learning from games of self-play. In this paper, we generalise this approach into a single AlphaZero algorithm that can achieve, tabula rasa, superhuman performance in many challenging domains. Starting from random play, and given no domain knowledge except the game rules, AlphaZero achieved within 24 hours a superhuman level of play in the games of chess and shogi (Japanese chess) as well as Go, and convincingly defeated a world-champion program in each case.

We curate a comprehensive dataset of 4,550 questions and solutions from problem sets, midterm exams, and final exams across all MIT Mathematics and Electrical Engineering and Computer Science (EECS) courses required for obtaining a degree. We evaluate the ability of large language models to fulfill the graduation requirements for any MIT major in Mathematics and EECS. Our results demonstrate that GPT-3.5 successfully solves a third of the entire MIT curriculum, while GPT-4, with prompt engineering, achieves a perfect solve rate on a test set excluding questions based on images. We fine-tune an open-source large language model on this dataset. We employ GPT-4 to automatically grade model responses, providing a detailed performance breakdown by course, question, and answer type. By embedding questions in a low-dimensional space, we explore the relationships between questions, topics, and classes and discover which questions and classes are required for solving other questions and classes through few-shot learning. Our analysis offers valuable insights into course prerequisites and curriculum design, highlighting language models' potential for learning and improving Mathematics and EECS education.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

The imperative need to scale computation across numerous nodes highlights the significance of efficient parallel computing, particularly in the realm of Message Passing Interface (MPI) integration. The challenging parallel programming task of generating MPI-based parallel programs has remained unexplored. This study first investigates the performance of state-of-the-art language models in generating MPI-based parallel programs. Findings reveal that widely used models such as GPT-3.5 and PolyCoder (specialized multi-lingual code models) exhibit notable performance degradation, when generating MPI-based programs compared to general-purpose programs. In contrast, domain-specific models such as MonoCoder, which are pretrained on MPI-related programming languages of C and C++, outperform larger models. Subsequently, we introduce a dedicated downstream task of MPI-based program generation by fine-tuning MonoCoder on HPCorpusMPI. We call the resulting model as MPIrigen. We propose an innovative preprocessing for completion only after observing the whole code, thus enabling better completion with a wider context. Comparative analysis against GPT-3.5 zero-shot performance, using a novel HPC-oriented evaluation method, demonstrates that MPIrigen excels in generating accurate MPI functions up to 0.8 accuracy in location and function predictions, and with more than 0.9 accuracy for argument predictions. The success of this tailored solution underscores the importance of domain-specific fine-tuning in optimizing language models for parallel computing code generation, paving the way for a new generation of automatic parallelization tools. The sources of this work are available at our GitHub MPIrigen repository: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rigen

The increasing deployment of large language models (LLMs) in the cybersecurity domain underscores the need for effective model selection and evaluation. However, traditional evaluation methods often overlook specific cybersecurity knowledge gaps that contribute to performance limitations. To address this, we develop CSEBenchmark, a fine-grained cybersecurity evaluation framework based on 345 knowledge points expected of cybersecurity experts. Drawing from cognitive science, these points are categorized into factual, conceptual, and procedural types, enabling the design of 11,050 tailored multiple-choice questions. We evaluate 12 popular LLMs on CSEBenchmark and find that even the best-performing model achieves only 85.42% overall accuracy, with particular knowledge gaps in the use of specialized tools and uncommon commands. Different LLMs have unique knowledge gaps. Even large models from the same family may perform poorly on knowledge points where smaller models excel. By identifying and addressing specific knowledge gaps in each LLM, we achieve up to an 84% improvement in correcting previously incorrect predictions across three existing benchmarks for two cybersecurity tasks. Furthermore, our assessment of each LLM's knowledge alignment with specific cybersecurity roles reveals that different models align better with different roles, such as GPT-4o for the Google Senior Intelligence Analyst and Deepseek-V3 for the Amazon Privacy Engineer. These findings underscore the importance of aligning LLM selection with the specific knowledge requirements of different cybersecurity roles for optimal performance.

With the continuous and vast increase in the amount of data in our digital world, it has been acknowledged that the number of knowledgeable data scientists can not scale to address these challenges. Thus, there was a crucial need for automating the process of building good machine learning models. In the last few years, several techniques and frameworks have been introduced to tackle the challenge of automating the process of Combined Algorithm Selection and Hyper-parameter tuning (CASH) in the machine learning domain. The main aim of these techniques is to reduce the role of the human in the loop and fill the gap for non-expert machine learning users by playing the role of the domain expert. In this paper, we present a comprehensive survey for the state-of-the-art efforts in tackling the CASH problem. In addition, we highlight the research work of automating the other steps of the full complex machine learning pipeline (AutoML) from data understanding till model deployment. Furthermore, we provide comprehensive coverage for the various tools and frameworks that have been introduced in this domain. Finally, we discuss some of the research directions and open challenges that need to be addressed in order to achieve the vision and goals of the AutoML process.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

In recent years, researchers have proposed numerous benchmarks to evaluate the impressive coding capabilities of large language models (LLMs). However, existing benchmarks primarily focus on assessing the correctness of code generated by LLMs, while neglecting other critical dimensions that also significantly impact code quality. Therefore, this paper proposes the RACE benchmark, which comprehensively evaluates the quality of code generated by LLMs across 4 dimensions: Readability, mAintainability, Correctness, and Efficiency. Specifically, considering the demand-dependent nature of dimensions beyond correctness, we design various types of user requirements for each dimension to assess the model's ability to generate correct code that also meets user demands. We evaluate 18 representative LLMs on RACE and find that: 1) the current LLMs' ability to generate high-quality code on demand does not yet meet the requirements of software development; 2) readability serves as a critical indicator of the overall quality of generated code; 3) most LLMs exhibit an inherent preference for specific coding style. These findings can help researchers gain a deeper understanding of the coding capabilities of current LLMs and shed light on future directions for model improvement.

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

Recent work demonstrates that, after being fine-tuned on a high-quality instruction dataset, the resulting model can obtain impressive capabilities to address a wide range of tasks. However, existing methods for instruction data generation often produce duplicate data and are not controllable enough on data quality. In this paper, we extend the generalization of instruction tuning by classifying the instruction data to 4 code-related tasks and propose a LLM-based Generator-Discriminator data process framework to generate diverse, high-quality instruction data from open source code. Hence, we introduce CodeOcean, a dataset comprising 20,000 instruction instances across 4 universal code-related tasks,which is aimed at augmenting the effectiveness of instruction tuning and improving the generalization ability of fine-tuned model. Subsequently, we present WaveCoder, a fine-tuned Code LLM with Widespread And Versatile Enhanced instruction tuning. This model is specifically designed for enhancing instruction tuning of Code Language Models (LLMs). Our experiments demonstrate that Wavecoder models outperform other open-source models in terms of generalization ability across different code-related tasks at the same level of fine-tuning scale. Moreover, Wavecoder exhibits high efficiency in previous code generation tasks. This paper thus offers a significant contribution to the field of instruction data generation and fine-tuning models, providing new insights and tools for enhancing performance in code-related tasks.

Large Language Models (LLMs) have garnered remarkable advancements across diverse code-related tasks, known as Code LLMs, particularly in code generation that generates source code with LLM from natural language descriptions. This burgeoning field has captured significant interest from both academic researchers and industry professionals due to its practical significance in software development, e.g., GitHub Copilot. Despite the active exploration of LLMs for a variety of code tasks, either from the perspective of natural language processing (NLP) or software engineering (SE) or both, there is a noticeable absence of a comprehensive and up-to-date literature review dedicated to LLM for code generation. In this survey, we aim to bridge this gap by providing a systematic literature review that serves as a valuable reference for researchers investigating the cutting-edge progress in LLMs for code generation. We introduce a taxonomy to categorize and discuss the recent developments in LLMs for code generation, covering aspects such as data curation, latest advances, performance evaluation, and real-world applications. In addition, we present a historical overview of the evolution of LLMs for code generation and offer an empirical comparison using the widely recognized HumanEval and MBPP benchmarks to highlight the progressive enhancements in LLM capabilities for code generation. We identify critical challenges and promising opportunities regarding the gap between academia and practical development. Furthermore, we have established a dedicated resource website (https://codellm.github.io) to continuously document and disseminate the most recent advances in the field.

Large Language Models (LLMs) have shown remarkable advancements in specialized fields such as finance, law, and medicine. However, in cybersecurity, we have noticed a lack of open-source datasets, with a particular lack of high-quality cybersecurity pretraining corpora, even though much research indicates that LLMs acquire their knowledge during pretraining. To address this, we present a comprehensive suite of datasets covering all major training stages, including pretraining, instruction fine-tuning, and reasoning distillation with cybersecurity-specific self-reflection data. Extensive ablation studies demonstrate their effectiveness on public cybersecurity benchmarks. In particular, continual pre-training on our dataset yields a 15.88% improvement in the aggregate score, while reasoning distillation leads to a 10% gain in security certification (CISSP). We will release all datasets and trained cybersecurity LLMs under the ODC-BY and MIT licenses to encourage further research in the community. For access to all datasets and model weights, please refer to https://huggingface.co/collections/trendmicro-ailab/primus-67b1fd27052b802b4af9d243.

Programming is a powerful and ubiquitous problem-solving tool. Developing systems that can assist programmers or even generate programs independently could make programming more productive and accessible, yet so far incorporating innovations in AI has proven challenging. Recent large-scale language models have demonstrated an impressive ability to generate code, and are now able to complete simple programming tasks. However, these models still perform poorly when evaluated on more complex, unseen problems that require problem-solving skills beyond simply translating instructions into code. For example, competitive programming problems which require an understanding of algorithms and complex natural language remain extremely challenging. To address this gap, we introduce AlphaCode, a system for code generation that can create novel solutions to these problems that require deeper reasoning. In simulated evaluations on recent programming competitions on the Codeforces platform, AlphaCode achieved on average a ranking of top 54.3% in competitions with more than 5,000 participants. We found that three key components were critical to achieve good and reliable performance: (1) an extensive and clean competitive programming dataset for training and evaluation, (2) large and efficient-to-sample transformer-based architectures, and (3) large-scale model sampling to explore the search space, followed by filtering based on program behavior to a small set of submissions.

We present QuantumLLMInstruct (QLMMI), an innovative dataset featuring over 500,000 meticulously curated instruction-following problem-solution pairs designed specifically for quantum computing - the largest and most comprehensive dataset of its kind. Originating from over 90 primary seed domains and encompassing hundreds of subdomains autonomously generated by LLMs, QLMMI marks a transformative step in the diversity and richness of quantum computing datasets. Designed for instruction fine-tuning, QLMMI seeks to significantly improve LLM performance in addressing complex quantum computing challenges across a wide range of quantum physics topics. While Large Language Models (LLMs) have propelled advancements in computational science with datasets like Omni-MATH and OpenMathInstruct, these primarily target Olympiad-level mathematics, leaving quantum computing largely unexplored. The creation of QLMMI follows a rigorous four-stage methodology. Initially, foundational problems are developed using predefined templates, focusing on critical areas such as synthetic Hamiltonians, QASM code generation, Jordan-Wigner transformations, and Trotter-Suzuki quantum circuit decompositions. Next, detailed and domain-specific solutions are crafted to ensure accuracy and relevance. In the third stage, the dataset is enriched through advanced reasoning techniques, including Chain-of-Thought (CoT) and Task-Oriented Reasoning and Action (ToRA), which enhance problem-solution diversity while adhering to strict mathematical standards. Lastly, a zero-shot Judge LLM performs self-assessments to validate the dataset's quality and reliability, minimizing human oversight requirements.

This paper presents NT-Java-1.1B, an open-source specialized code language model built on StarCoderBase-1.1B, designed for coding tasks in Java programming. NT-Java-1.1B achieves state-of-the-art performance, surpassing its base model and majority of other models of similar size on MultiPL-E Java code benchmark. While there have been studies on extending large, generic pre-trained models to improve proficiency in specific programming languages like Python, similar investigations on small code models for other programming languages are lacking. Large code models require specialized hardware like GPUs for inference, highlighting the need for research into building small code models that can be deployed on developer desktops. This paper addresses this research gap by focusing on the development of a small Java code model, NT-Java-1.1B, and its quantized versions, which performs comparably to open models around 1.1B on MultiPL-E Java code benchmarks, making them ideal for desktop deployment. This paper establishes the foundation for specialized models across languages and sizes for a family of NT Models.

Scientific problem-solving involves synthesizing information while applying expert knowledge. We introduce CURIE, a scientific long-Context Understanding,Reasoning and Information Extraction benchmark to measure the potential of Large Language Models (LLMs) in scientific problem-solving and assisting scientists in realistic workflows. This benchmark introduces ten challenging tasks with a total of 580 problems and solution pairs curated by experts in six disciplines - materials science, condensed matter physics, quantum computing, geospatial analysis, biodiversity, and proteins - covering both experimental and theoretical work-flows in science. We evaluate a range of closed and open LLMs on tasks in CURIE which requires domain expertise, comprehension of long in-context information,and multi-step reasoning. While Gemini Flash 2.0 and Claude-3 show consistent high comprehension across domains, the popular GPT-4o and command-R+ fail dramatically on protein sequencing tasks. With the best performance at 32% there is much room for improvement for all models. We hope that insights gained from CURIE can guide the future development of LLMs in sciences. Evaluation code and data are in https://github.com/google/curie

We introduce CASS, the first large-scale dataset and model suite for cross-architecture GPU code transpilation, targeting both source-level (CUDA leftrightarrow HIP) and assembly-level (Nvidia SASS leftrightarrow AMD RDNA3) translation. The dataset comprises 70k verified code pairs across host and device, addressing a critical gap in low-level GPU code portability. Leveraging this resource, we train the CASS family of domain-specific language models, achieving 95% source translation accuracy and 37.5% assembly translation accuracy, substantially outperforming commercial baselines such as GPT-4o, Claude, and Hipify. Our generated code matches native performance in over 85% of test cases, preserving runtime and memory behavior. To support rigorous evaluation, we introduce CASS-Bench, a curated benchmark spanning 16 GPU domains with ground-truth execution. All data, models, and evaluation tools are released as open source to foster progress in GPU compiler tooling, binary compatibility, and LLM-guided hardware translation. Dataset and benchmark are on https://huggingface.co/datasets/MBZUAI/cass{blue{HuggingFace}}, with code at https://github.com/GustavoStahl/CASS{blue{GitHub}}.

Despite the remarkable performance that modern deep neural networks have achieved on independent and identically distributed (I.I.D.) data, they can crash under distribution shifts. Most current evaluation methods for domain generalization (DG) adopt the leave-one-out strategy as a compromise on the limited number of domains. We propose a large-scale benchmark with extensive labeled domains named NICO++ along with more rational evaluation methods for comprehensively evaluating DG algorithms. To evaluate DG datasets, we propose two metrics to quantify covariate shift and concept shift, respectively. Two novel generalization bounds from the perspective of data construction are proposed to prove that limited concept shift and significant covariate shift favor the evaluation capability for generalization. Through extensive experiments, NICO++ shows its superior evaluation capability compared with current DG datasets and its contribution in alleviating unfairness caused by the leak of oracle knowledge in model selection.

Competitive programming benchmarks are widely used in scenarios such as programming contests and large language model assessments. However, the growing presence of duplicate or highly similar problems raises concerns not only about competition fairness, but also about the validity of competitive programming as a benchmark for model evaluation. In this paper, we propose a new problem -- similar question retrieval -- to address this issue. Due to the lack of both data and models, solving this problem is challenging. To this end, we introduce CPRet, a retrieval-oriented benchmark suite for competitive programming, covering four retrieval tasks: two code-centric (i.e., Text-to-Code and Code-to-Code) and two newly proposed problem-centric tasks (i.e., Problem-to-Duplicate and Simplified-to-Full), built from a combination of automatically crawled problem-solution data and manually curated annotations. Our contribution includes both high-quality training data and temporally separated test sets for reliable evaluation. In addition, we develop two task-specialized retrievers based on this dataset: CPRetriever-Code, trained with a novel Group-InfoNCE loss for problem-code alignment, and CPRetriever-Prob, fine-tuned for identifying problem-level similarity. Both models achieve strong results and are open-sourced for local use. Finally, we analyze LiveCodeBench and find that high-similarity problems inflate model pass rates and reduce differentiation, underscoring the need for similarity-aware evaluation in future benchmarks. Code and data are available at: https://github.com/coldchair/CPRet

In the last few decades, companies are interested to adopt an online automated recruitment process in an international recruitment environment. The problem is that the recruitment of employees through the manual procedure is a time and money consuming process. As a result, processing a significant number of applications through conventional methods can lead to the recruitment of clumsy individuals. Different JD/Resume matching model architectures have been proposed and reveal a high accuracy level in selecting relevant candidatesfor the required job positions. However, the development of an automatic recruitment system is still one of the main challenges. The reason is that the development of a fully automated recruitment system is a difficult task and poses different challenges. For example, providing a detailed matching explanation for the targeted stakeholders is needed to ensure a transparent recommendation. There are several knowledge bases that represent skills and competencies (e.g, ESCO, O*NET) that are used to identify the candidate and the required job skills for a matching purpose. Besides, modernpre-trained language models are fine-tuned for this context such as identifying lines where a specific feature was introduced. Typically, pre-trained language models use transfer-based machine learning models to be fine-tuned for a specific field. In this proposal, our aim is to explore how modern language models (based on transformers) can be combined with knowledge bases and ontologies to enhance the JD/Resume matching process. Our system aims at using knowledge bases and features to support the explainability of the JD/Resume matching. Finally, given that multiple software components, datasets, ontology, andmachine learning models will be explored, we aim at proposing a fair, ex-plainable, and traceable architecture for a Resume/JD matching purpose.

We introduce CPP-UT-Bench, a benchmark dataset to measure C++ unit test generation capability of a large language model (LLM). CPP-UT-Bench aims to reflect a broad and diverse set of C++ codebases found in the real world. The dataset includes 2,653 {code, unit test} pairs drawn from 14 different opensource C++ codebases spanned across nine diverse domains including machine learning, software testing, parsing, standard input-output, data engineering, logging, complete expression evaluation, key value storage, and server protocols. We demonstrated the effectiveness of CPP-UT-Bench as a benchmark dataset through extensive experiments in in-context learning, parameter-efficient fine-tuning (PEFT), and full-parameter fine-tuning. We also discussed the challenges of the dataset compilation and insights we learned from in-context learning and fine-tuning experiments. Besides the CPP-UT-Bench dataset and data compilation code, we are also offering the fine-tuned model weights for further research. For nine out of ten experiments, our fine-tuned LLMs outperformed the corresponding base models by an average of more than 70%.

In the evolving landscape of large language models (LLMs) tailored for software engineering, the need for benchmarks that accurately reflect real-world development scenarios is paramount. Current benchmarks are either too simplistic or fail to capture the multi-tasking nature of software development. To address this, we introduce CoderUJB, a new benchmark designed to evaluate LLMs across diverse Java programming tasks that are executable and reflective of actual development scenarios, acknowledging Java's prevalence in real-world software production. CoderUJB comprises 2,239 programming questions derived from 17 real open-source Java projects and spans five practical programming tasks. Our empirical study on this benchmark investigates the coding abilities of various open-source and closed-source LLMs, examining the effects of continued pre-training in specific programming languages code and instruction fine-tuning on their performance. The findings indicate that while LLMs exhibit strong potential, challenges remain, particularly in non-functional code generation (e.g., test generation and defect detection). Importantly, our results advise caution in the specific programming languages continued pre-training and instruction fine-tuning, as these techniques could hinder model performance on certain tasks, suggesting the need for more nuanced strategies. CoderUJB thus marks a significant step towards more realistic evaluations of programming capabilities in LLMs, and our study provides valuable insights for the future development of these models in software engineering.

Using Large Language Models (LLMs) has gained popularity among software developers for generating source code. However, the use of LLM-generated code can introduce risks of adding suboptimal, defective, and vulnerable code. This makes it necessary to devise methods for the accurate detection of LLM-generated code. Toward this goal, we perform a case study of Claude 3 Haiku (or Claude 3 for brevity) on CodeSearchNet dataset. We divide our analyses into two parts: function-level and class-level. We extract 22 software metric features, such as Code Lines and Cyclomatic Complexity, for each level of granularity. We then analyze code snippets generated by Claude 3 and their human-authored counterparts using the extracted features to understand how unique the code generated by Claude 3 is. In the following step, we use the unique characteristics of Claude 3-generated code to build Machine Learning (ML) models and identify which features of the code snippets make them more detectable by ML models. Our results indicate that Claude 3 tends to generate longer functions, but shorter classes than humans, and this characteristic can be used to detect Claude 3-generated code with ML models with 82% and 66% accuracies for function-level and class-level snippets, respectively.

With the rapid advancement of Large Language Models (LLMs), the demand for robust instruction-following capabilities in code generation tasks has grown significantly. Code generation not only facilitates faster prototyping and automated testing, but also augments developer efficiency through improved maintainability and reusability of code. In this paper, we introduce CodeIF, the first benchmark specifically designed to assess the abilities of LLMs to adhere to task-oriented instructions within diverse code generation scenarios. CodeIF encompasses a broad range of tasks, including function synthesis, error debugging, algorithmic refactoring, and code explanation, thereby providing a comprehensive suite to evaluate model performance across varying complexity levels and programming domains. We conduct extensive experiments with LLMs, analyzing their strengths and limitations in meeting the demands of these tasks. The experimental results offer valuable insights into how well current models align with human instructions, as well as the extent to which they can generate consistent, maintainable, and contextually relevant code. Our findings not only underscore the critical role that instruction-following LLMs can play in modern software development, but also illuminate pathways for future research aimed at enhancing their adaptability, reliability, and overall effectiveness in automated code generation.

Computational pathology can lead to saving human lives, but models are annotation hungry and pathology images are notoriously expensive to annotate. Self-supervised learning has shown to be an effective method for utilizing unlabeled data, and its application to pathology could greatly benefit its downstream tasks. Yet, there are no principled studies that compare SSL methods and discuss how to adapt them for pathology. To address this need, we execute the largest-scale study of SSL pre-training on pathology image data, to date. Our study is conducted using 4 representative SSL methods on diverse downstream tasks. We establish that large-scale domain-aligned pre-training in pathology consistently out-performs ImageNet pre-training in standard SSL settings such as linear and fine-tuning evaluations, as well as in low-label regimes. Moreover, we propose a set of domain-specific techniques that we experimentally show leads to a performance boost. Lastly, for the first time, we apply SSL to the challenging task of nuclei instance segmentation and show large and consistent performance improvements under diverse settings.

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.

The recent improvement in code generation capabilities due to the use of large language models has mainly benefited general purpose programming languages. Domain specific languages, such as the ones used for IT Automation, have received far less attention, despite involving many active developers and being an essential component of modern cloud platforms. This work focuses on the generation of Ansible-YAML, a widely used markup language for IT Automation. We present Ansible Wisdom, a natural-language to Ansible-YAML code generation tool, aimed at improving IT automation productivity. Ansible Wisdom is a transformer-based model, extended by training with a new dataset containing Ansible-YAML. We also develop two novel performance metrics for YAML and Ansible to capture the specific characteristics of this domain. Results show that Ansible Wisdom can accurately generate Ansible script from natural language prompts with performance comparable or better than existing state of the art code generation models.

Language models can serve as a valuable tool for software developers to increase productivity. Large generative models can be used for code generation and code completion, while smaller encoder-only models are capable of performing code search tasks using natural language queries.These capabilities are heavily influenced by the quality and diversity of the available training data. Source code datasets used for training usually focus on the most popular languages and testing is mostly conducted on the same distributions, often overlooking low-resource programming languages. Motivated by the NLP generalization taxonomy proposed by Hupkes et.\,al., we propose a new benchmark dataset called GenCodeSearchNet (GeCS) which builds upon existing natural language code search datasets to systemically evaluate the programming language understanding generalization capabilities of language models. As part of the full dataset, we introduce a new, manually curated subset StatCodeSearch that focuses on R, a popular but so far underrepresented programming language that is often used by researchers outside the field of computer science. For evaluation and comparison, we collect several baseline results using fine-tuned BERT-style models and GPT-style large language models in a zero-shot setting.

This paper provides a taxonomy for the licensing of data in the fields of artificial intelligence and machine learning. The paper's goal is to build towards a common framework for data licensing akin to the licensing of open source software. Increased transparency and resolving conceptual ambiguities in existing licensing language are two noted benefits of the approach proposed in the paper. In parallel, such benefits may help foster fairer and more efficient markets for data through bringing about clearer tools and concepts that better define how data can be used in the fields of AI and ML. The paper's approach is summarized in a new family of data license language - the Montreal Data License (MDL). Alongside this new license, the authors and their collaborators have developed a web-based tool to generate license language espousing the taxonomies articulated in this paper.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

Large Language Models (LLMs) have achieved remarkable success in software engineering tasks when trained with executable runtime environments, particularly in resolving GitHub issues. However, such runtime environments are often unavailable in other domains, especially cybersecurity, where challenge configurations and execution contexts are ephemeral or restricted. We present Cyber-Zero, the first runtime-free framework for synthesizing high-quality agent trajectories to train cybersecurity LLMs. Cyber-Zero leverages publicly available CTF writeups and employs persona-driven LLM simulation to reverse-engineer runtime behaviors and generate realistic, long-horizon interaction sequences without actual environments. Using trajectories synthesized by Cyber-Zero, we train LLM-based agents that achieve up to 13.1% absolute performance gains over baseline models on three prominent CTF benchmarks: InterCode-CTF, NYU CTF Bench, and Cybench. Our best model, Cyber-Zero-32B, establishes new state-of-the-art performance among open-weight models, matching the capabilities of proprietary systems like DeepSeek-V3-0324 and Claude-3.5-Sonnet while offering superior cost-effectiveness, and demonstrating that runtime-free trajectory synthesis can effectively democratize the development of state-of-the-art cybersecurity agents.

The utilization of large language models (LLMs) in the Healthcare domain has generated both excitement and concern due to their ability to effectively respond to freetext queries with certain professional knowledge. This survey outlines the capabilities of the currently developed LLMs for Healthcare and explicates their development process, with the aim of providing an overview of the development roadmap from traditional Pretrained Language Models (PLMs) to LLMs. Specifically, we first explore the potential of LLMs to enhance the efficiency and effectiveness of various Healthcare applications highlighting both the strengths and limitations. Secondly, we conduct a comparison between the previous PLMs and the latest LLMs, as well as comparing various LLMs with each other. Then we summarize related Healthcare training data, training methods, optimization strategies, and usage. Finally, the unique concerns associated with deploying LLMs in Healthcare settings are investigated, particularly regarding fairness, accountability, transparency and ethics. Our survey provide a comprehensive investigation from perspectives of both computer science and Healthcare specialty. Besides the discussion about Healthcare concerns, we supports the computer science community by compiling a collection of open source resources, such as accessible datasets, the latest methodologies, code implementations, and evaluation benchmarks in the Github. Summarily, we contend that a significant paradigm shift is underway, transitioning from PLMs to LLMs. This shift encompasses a move from discriminative AI approaches to generative AI approaches, as well as a shift from model-centered methodologies to datacentered methodologies.

This paper proposes a new large-scale dataset called "ToyADMOS2" for anomaly detection in machine operating sounds (ADMOS). As did for our previous ToyADMOS dataset, we collected a large number of operating sounds of miniature machines (toys) under normal and anomaly conditions by deliberately damaging them but extended with providing controlled depth of damages in anomaly samples. Since typical application scenarios of ADMOS often require robust performance under domain-shift conditions, the ToyADMOS2 dataset is designed for evaluating systems under such conditions. The released dataset consists of two sub-datasets for machine-condition inspection: fault diagnosis of machines with geometrically fixed tasks and fault diagnosis of machines with moving tasks. Domain shifts are represented by introducing several differences in operating conditions, such as the use of the same machine type but with different machine models and parts configurations, different operating speeds, microphone arrangements, etc. Each sub-dataset contains over 27 k samples of normal machine-operating sounds and over 8 k samples of anomalous sounds recorded with five to eight microphones. The dataset is freely available for download at https://github.com/nttcslab/ToyADMOS2-dataset and https://doi.org/10.5281/zenodo.4580270.

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works have focused on modifying the initial version of the code to improve its efficiency. However, such refinements are limited by the algorithmic design and overall logic of the initial code, resulting in only incremental improvements. In contrast, when human developers write high-quality code, they typically begin by designing several potential solutions at the logical level, evaluating various algorithms and their complexities, and then proceeding to implement and optimize the solution. In this study, we introduce \tool: Large Language Model for Code Efficiency, a novel framework that enables LLMs to generate code that balances both efficiency and correctness. Specifically, \tool divides the efficiency optimization process into two domains: algorithmic exploration in the logic domain and implementation optimization in the code domain. The correctness of the code is then guaranteed through a synthetic test case refinement process. This approach, which prioritizes efficiency before ensuring correctness, offers a new paradigm for efficient code generation. Experiments demonstrate that \tool consistently improves both efficiency and correctness, achieving new state-of-the-art performance in code efficiency benchmarks across various LLM backbones.

Task-specific deep learning models in histopathology offer promising opportunities for improving diagnosis, clinical research, and precision medicine. However, development of such models is often limited by availability of high-quality data. Foundation models in histopathology that learn general representations across a wide range of tissue types, diagnoses, and magnifications offer the potential to reduce the data, compute, and technical expertise necessary to develop task-specific deep learning models with the required level of model performance. In this work, we describe the development and evaluation of foundation models for histopathology via self-supervised learning (SSL). We first establish a diverse set of benchmark tasks involving 17 unique tissue types and 12 unique cancer types and spanning different optimal magnifications and task types. Next, we use this benchmark to explore and evaluate histopathology-specific SSL methods followed by further evaluation on held out patch-level and weakly supervised tasks. We found that standard SSL methods thoughtfully applied to histopathology images are performant across our benchmark tasks and that domain-specific methodological improvements can further increase performance. Our findings reinforce the value of using domain-specific SSL methods in pathology, and establish a set of high quality foundation models to enable further research across diverse applications.

Code generation is a core capability of large language models (LLMs), yet mainstream benchmarks (e.g., APPs and LiveCodeBench) contain questions with medium-level difficulty and pose no challenge to advanced LLMs. To better reflected the advanced reasoning and code generation ability, We introduce Humanity's Last Code Exam (HLCE), comprising 235 most challenging problems from the International Collegiate Programming Contest (ICPC World Finals) and the International Olympiad in Informatics (IOI) spanning 2010 - 2024. As part of HLCE, we design a harmonized online-offline sandbox that guarantees fully reproducible evaluation. Through our comprehensive evaluation, we observe that even the strongest reasoning LLMs: o4-mini(high) and Gemini-2.5 Pro, achieve pass@1 rates of only 15.9% and 11.4%, respectively. Meanwhile, we propose a novel "self-recognition" task to measure LLMs' awareness of their own capabilities. Results indicate that LLMs' self-recognition abilities are not proportionally correlated with their code generation performance. Finally, our empirical validation of test-time scaling laws reveals that current advanced LLMs have substantial room for improvement on complex programming tasks. We expect HLCE to become a milestone challenge for code generation and to catalyze advances in high-performance reasoning and human-AI collaborative programming. Our code and dataset are also public available(https://github.com/Humanity-s-Last-Code-Exam/HLCE).

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

This work proposes a new pipeline for leveraging data collected on the Stack Overflow website for pre-training a multimodal model for searching duplicates on question answering websites. Our multimodal model is trained on question descriptions and source codes in multiple programming languages. We design two new learning objectives to improve duplicate detection capabilities. The result of this work is a mature, fine-tuned Multimodal Question Duplicity Detection (MQDD) model, ready to be integrated into a Stack Overflow search system, where it can help users find answers for already answered questions. Alongside the MQDD model, we release two datasets related to the software engineering domain. The first Stack Overflow Dataset (SOD) represents a massive corpus of paired questions and answers. The second Stack Overflow Duplicity Dataset (SODD) contains data for training duplicate detection models.

While a large number of pre-trained models of source code have been successfully developed and applied to a variety of software engineering (SE) tasks in recent years, our understanding of these pre-trained models is arguably fairly limited. With the goal of advancing our understanding of these models, we perform the first systematic empirical comparison of 19 recently-developed pre-trained models of source code on 13 SE tasks. To gain additional insights into these models, we adopt a recently-developed 4-dimensional categorization of pre-trained models, and subsequently investigate whether there are correlations between different categories of pre-trained models and their performances on different SE tasks.

Given the importance of remote sensing, surprisingly little attention has been paid to it by the representation learning community. To address it and to establish baselines and a common evaluation protocol in this domain, we provide simplified access to 5 diverse remote sensing datasets in a standardized form. Specifically, we investigate in-domain representation learning to develop generic remote sensing representations and explore which characteristics are important for a dataset to be a good source for remote sensing representation learning. The established baselines achieve state-of-the-art performance on these datasets.

Large Language Models (LLMs) have demonstrated remarkable performance on coding related tasks, particularly on assisting humans in programming and facilitating programming automation. However, existing benchmarks for evaluating the code understanding and generation capacities of LLMs suffer from severe limitations. First, most benchmarks are deficient as they focus on a narrow range of popular programming languages and specific tasks, whereas the real-world software development scenarios show dire need to implement systems with multilingual programming environments to satisfy diverse requirements. Practical programming practices also strongly expect multi-task settings for testing coding capabilities of LLMs comprehensively and robustly. Second, most benchmarks also fail to consider the actual executability and the consistency of execution results of the generated code. To bridge these gaps between existing benchmarks and expectations from practical applications, we introduce CodeScope, an execution-based, multilingual, multi-task, multi-dimensional evaluation benchmark for comprehensively gauging LLM capabilities on coding tasks. CodeScope covers 43 programming languages and 8 coding tasks. It evaluates the coding performance of LLMs from three dimensions (perspectives): difficulty, efficiency, and length. To facilitate execution-based evaluations of code generation, we develop MultiCodeEngine, an automated code execution engine that supports 14 programming languages. Finally, we systematically evaluate and analyze 8 mainstream LLMs on CodeScope tasks and demonstrate the superior breadth and challenges of CodeScope for evaluating LLMs on code understanding and generation tasks compared to other benchmarks. The CodeScope benchmark and datasets are publicly available at https://github.com/WeixiangYAN/CodeScope.

Semantic code search is the task of retrieving relevant code given a natural language query. While related to other information retrieval tasks, it requires bridging the gap between the language used in code (often abbreviated and highly technical) and natural language more suitable to describe vague concepts and ideas. To enable evaluation of progress on code search, we are releasing the CodeSearchNet Corpus and are presenting the CodeSearchNet Challenge, which consists of 99 natural language queries with about 4k expert relevance annotations of likely results from CodeSearchNet Corpus. The corpus contains about 6 million functions from open-source code spanning six programming languages (Go, Java, JavaScript, PHP, Python, and Ruby). The CodeSearchNet Corpus also contains automatically generated query-like natural language for 2 million functions, obtained from mechanically scraping and preprocessing associated function documentation. In this article, we describe the methodology used to obtain the corpus and expert labels, as well as a number of simple baseline solutions for the task. We hope that CodeSearchNet Challenge encourages researchers and practitioners to study this interesting task further and will host a competition and leaderboard to track the progress on the challenge. We are also keen on extending CodeSearchNet Challenge to more queries and programming languages in the future.

Seed science is essential for modern agriculture, directly influencing crop yields and global food security. However, challenges such as interdisciplinary complexity and high costs with limited returns hinder progress, leading to a shortage of experts and insufficient technological support. While large language models (LLMs) have shown promise across various fields, their application in seed science remains limited due to the scarcity of digital resources, complex gene-trait relationships, and the lack of standardized benchmarks. To address this gap, we introduce SeedBench -- the first multi-task benchmark specifically designed for seed science. Developed in collaboration with domain experts, SeedBench focuses on seed breeding and simulates key aspects of modern breeding processes. We conduct a comprehensive evaluation of 26 leading LLMs, encompassing proprietary, open-source, and domain-specific fine-tuned models. Our findings not only highlight the substantial gaps between the power of LLMs and the real-world seed science problems, but also make a foundational step for research on LLMs for seed design.

Nowadays, developers increasingly rely on solutions powered by Large Language Models (LLM) to assist them with their coding tasks. This makes it crucial to align these tools with human values to prevent malicious misuse. In this paper, we propose a comprehensive framework for assessing the potential harmfulness of LLMs within the software engineering domain. We begin by developing a taxonomy of potentially harmful software engineering scenarios and subsequently, create a dataset of prompts based on this taxonomy. To systematically assess the responses, we design and validate an automatic evaluator that classifies the outputs of a variety of LLMs both open-source and closed-source models, as well as general-purpose and code-specific LLMs. Furthermore, we investigate the impact of models size, architecture family, and alignment strategies on their tendency to generate harmful content. The results show significant disparities in the alignment of various LLMs for harmlessness. We find that some models and model families, such as Openhermes, are more harmful than others and that code-specific models do not perform better than their general-purpose counterparts. Notably, some fine-tuned models perform significantly worse than their base-models due to their design choices. On the other side, we find that larger models tend to be more helpful and are less likely to respond with harmful information. These results highlight the importance of targeted alignment strategies tailored to the unique challenges of software engineering tasks and provide a foundation for future work in this critical area.

AI coding assistants like GitHub Copilot are rapidly transforming software development, but their safety remains deeply uncertain-especially in high-stakes domains like cybersecurity. Current red-teaming tools often rely on fixed benchmarks or unrealistic prompts, missing many real-world vulnerabilities. We present ASTRA, an automated agent system designed to systematically uncover safety flaws in AI-driven code generation and security guidance systems. ASTRA works in three stages: (1) it builds structured domain-specific knowledge graphs that model complex software tasks and known weaknesses; (2) it performs online vulnerability exploration of each target model by adaptively probing both its input space, i.e., the spatial exploration, and its reasoning processes, i.e., the temporal exploration, guided by the knowledge graphs; and (3) it generates high-quality violation-inducing cases to improve model alignment. Unlike prior methods, ASTRA focuses on realistic inputs-requests that developers might actually ask-and uses both offline abstraction guided domain modeling and online domain knowledge graph adaptation to surface corner-case vulnerabilities. Across two major evaluation domains, ASTRA finds 11-66% more issues than existing techniques and produces test cases that lead to 17% more effective alignment training, showing its practical value for building safer AI systems.

Planning remains one of the last standing bastions for large language models (LLMs), which now turn their attention to search. Most of the literature uses the language models as world models to define the search space, forgoing soundness for the sake of flexibility. A recent work, Thought of Search (ToS), proposed defining the search space with code, having the language models produce that code. ToS requires a human in the loop, collaboratively producing a sound successor function and goal test. The result, however, is worth the effort: all the tested datasets were solved with 100% accuracy. At the same time LLMs have demonstrated significant progress in code generation and refinement for complex reasoning tasks. In this work, we automate ToS (AutoToS), completely taking the human out of the loop of solving planning problems. AutoToS guides the language model step by step towards the generation of sound and complete search components, through feedback from both generic and domain specific unit tests. We achieve 100% accuracy, with minimal feedback iterations, using LLMs of various sizes on all evaluated domains.

Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.

This paper presents our approach to accelerate computer architecture simulation by leveraging machine learning techniques. Traditional computer architecture simulations are time-consuming, making it challenging to explore different design choices efficiently. Our proposed model utilizes a combination of application features and micro-architectural features to predict the performance of an application. These features are derived from simulations of a small portion of the application. We demonstrate the effectiveness of our approach by building and evaluating a machine learning model that offers significant speedup in architectural exploration. This model demonstrates the ability to predict IPC values for the testing data with a root mean square error of less than 0.1.

This paper explores the limits of the current generation of large language models for program synthesis in general purpose programming languages. We evaluate a collection of such models (with between 244M and 137B parameters) on two new benchmarks, MBPP and MathQA-Python, in both the few-shot and fine-tuning regimes. Our benchmarks are designed to measure the ability of these models to synthesize short Python programs from natural language descriptions. The Mostly Basic Programming Problems (MBPP) dataset contains 974 programming tasks, designed to be solvable by entry-level programmers. The MathQA-Python dataset, a Python version of the MathQA benchmark, contains 23914 problems that evaluate the ability of the models to synthesize code from more complex text. On both datasets, we find that synthesis performance scales log-linearly with model size. Our largest models, even without finetuning on a code dataset, can synthesize solutions to 59.6 percent of the problems from MBPP using few-shot learning with a well-designed prompt. Fine-tuning on a held-out portion of the dataset improves performance by about 10 percentage points across most model sizes. On the MathQA-Python dataset, the largest fine-tuned model achieves 83.8 percent accuracy. Going further, we study the model's ability to engage in dialog about code, incorporating human feedback to improve its solutions. We find that natural language feedback from a human halves the error rate compared to the model's initial prediction. Additionally, we conduct an error analysis to shed light on where these models fall short and what types of programs are most difficult to generate. Finally, we explore the semantic grounding of these models by fine-tuning them to predict the results of program execution. We find that even our best models are generally unable to predict the output of a program given a specific input.

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

Effective code optimization in compilers plays a central role in computer and software engineering. While compilers can be made to automatically search the optimization space without the need for user interventions, this is not a standard practice since the search is slow and cumbersome. Here we present CodeZero, an artificial intelligence agent trained extensively on large data to produce effective optimization strategies instantly for each program in a single trial of the agent. To overcome the huge range of possible test programs, we prepare a large dataset of training programs that emphasize quality, naturalness, and diversity. To tackle the vast space of possible optimizations, we adapt deep reinforcement learning to train the agent in a sample-efficient manner through interacting with a world model of the compiler environment. Evaluation on both benchmark suites and production-level code optimization problems demonstrates our agent's supercompiler performances and zero-shot generalization abilities, outperforming built-in optimization options designed by compiler experts. Our methodology kindles the great potential of artificial intelligence for engineering and paves the way for scaling machine learning techniques in the realm of code optimization.

Complex reasoning is an impressive ability shown by large language models (LLMs). Most LLMs are skilled in deductive reasoning, such as chain-of-thought prompting or iterative tool-using to solve challenging tasks step-by-step. In this paper, we hope to focus on evaluating and teaching LLMs to conduct inductive reasoning, that is, LLMs are supposed to infer underlying rules by observing examples or sequential transformations. However, collecting large-scale and diverse human-generated inductive data is challenging. We focus on data synthesis in the code domain and propose a Case2Code task by exploiting the expressiveness and correctness of programs. Specifically, we collect a diverse set of executable programs, synthesize input-output transformations for each program, and force LLMs to infer the underlying code implementations based on the synthetic I/O cases. We first evaluate representative LLMs on the synthesized Case2Code task and demonstrate that the Case-to-code induction is challenging for LLMs. Then, we synthesize large-scale Case2Code training samples to train LLMs to perform inductive reasoning. Experimental results show that such induction training benefits not only in distribution Case2Code performance but also enhances various coding abilities of trained LLMs, demonstrating the great potential of learning inductive reasoning via synthetic data.

We consider the task of mapping pseudocode to long programs that are functionally correct. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that passes the validation. However, without proper credit assignment to localize the sources of program failures, it is difficult to guide search toward more promising programs. We propose to perform credit assignment based on signals from compilation errors, which constitute 88.7% of program failures. Concretely, we treat the translation of each pseudocode line as a discrete portion of the program, and whenever a synthesized program fails to compile, an error localization method tries to identify the portion of the program responsible for the failure. We then focus search over alternative translations of the pseudocode for those portions. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.

Following its success for vision and text, the "foundation model" (FM) paradigm -- pretraining large models on massive data, then fine-tuning on target tasks -- has rapidly expanded to domains in the sciences, engineering, healthcare, and beyond. Has this achieved what the original FMs accomplished, i.e. the supplanting of traditional supervised learning in their domains? To answer we look at three modalities -- genomics, satellite imaging, and time series -- with multiple recent FMs and compare them to a standard supervised learning workflow: model development, hyperparameter tuning, and training, all using only data from the target task. Across these three specialized domains, we find that it is consistently possible to train simple supervised models -- no more complicated than a lightly modified wide ResNet or UNet -- that match or even outperform the latest foundation models. Our work demonstrates that the benefits of large-scale pretraining have yet to be realized in many specialized areas, reinforces the need to compare new FMs to strong, well-tuned baselines, and introduces two new, easy-to-use, open-source, and automated workflows for doing so.

The increasing complexity of computer science research projects demands more effective tools for deploying code repositories. Large Language Models (LLMs), such as Anthropic Claude and Meta Llama, have demonstrated significant advancements across various fields of computer science research, including the automation of diverse software engineering tasks. To evaluate the effectiveness of LLMs in handling complex code development tasks of research projects, particularly for NLP/CV/AI/ML/DM topics, we introduce CSR-Bench, a benchmark for Computer Science Research projects. This benchmark assesses LLMs from various aspects including accuracy, efficiency, and deployment script quality, aiming to explore their potential in conducting computer science research autonomously. We also introduce a novel framework, CSR-Agents, that utilizes multiple LLM agents to automate the deployment of GitHub code repositories of computer science research projects. Specifically, by checking instructions from markdown files and interpreting repository structures, the model generates and iteratively improves bash commands that set up the experimental environments and deploy the code to conduct research tasks. Preliminary results from CSR-Bench indicate that LLM agents can significantly enhance the workflow of repository deployment, thereby boosting developer productivity and improving the management of developmental workflows.

Recent advances have demonstrated the promising capabilities of large language models (LLMs) in generating register-transfer level (RTL) code, such as Verilog. However, existing LLM-based frameworks still face significant challenges in accurately handling the complexity of real-world RTL designs, particularly those that are large-scale and involve multi-level module instantiations. To address this issue, we present ComplexVCoder, an open-source LLM-driven framework that enhances both the generation quality and efficiency of complex Verilog code. Specifically, we introduce a two-stage generation mechanism, which leverages an intermediate representation to enable a more accurate and structured transition from natural language descriptions to intricate Verilog designs. In addition, we introduce a rule-based alignment method and a domain-specific retrieval-augmented generation (RAG) to further improve the correctness of the synthesized code by incorporating relevant design knowledge during generation. To evaluate our approach, we construct a comprehensive dataset comprising 55 complex Verilog designs derived from real-world implementations. We also release an open-source benchmark suite for systematically assessing the quality of auto-generated RTL code together with the ComplexVCoder framework. Experimental results show that ComplexVCoder outperforms SOTA frameworks such as CodeV and RTLCoder by 14.6% and 22.2%, respectively, in terms of function correctness on complex Verilog benchmarks. Furthermore, ComplexVcoder achieves comparable generation performances in terms of functionality correctness using a lightweight 32B model (Qwen2.5), rivaling larger-scale models such as GPT-3.5 and DeepSeek-V3.

Learning code representations has been the core prerequisite of many software engineering tasks such as code clone detection and code generation. State-of-the-art program representation techniques mainly utilize pre-trained language models (PLMs) such as CodeBERT. A Transformer encoder is firstly pre-trained on a large-scale code corpus to acquire general knowledge about source code. The pre-trained model is then fine-tuned on specific tasks using an amount of labeled data. However, gathering training samples for the downstream tasks can be prohibitively expensive and impractical for domain-specific languages or project-specific tasks. Besides, pre-training and downstream tasks are usually heterogeneous, which makes it difficult to fully explore the knowledge learned during pre-training. In this paper, we propose Zecoler, a zero-shot approach for learning code representations. Zecoler is built upon a pre-trained programming language model. In order to elicit knowledge from the PLMs efficiently, Zecoler casts the downstream tasks to the same form of pre-training objectives by inserting train-able prompts into the original input. These prompts can guide PLMs on how to generate better results. Subsequently, we employ the prompt tuning technique to search for the optimal prompts for PLMs automatically. This enables the representation model to efficiently fit the downstream tasks through fine-tuning on the dataset in source language domain and then reuse the pre-trained knowledge for the target domain in a zero-shot style. We evaluate Zecoler in five code intelligence tasks including code clone detection, code search, method name prediction, code summarization, and code generation. The results show that our approach significantly outperforms baseline models under the zero-shot setting.

Verifying scientific claims presents a significantly greater challenge than verifying political or news-related claims. Unlike the relatively broad audience for political claims, the users of scientific claim verification systems can vary widely, ranging from researchers testing specific hypotheses to everyday users seeking information on a medication. Additionally, the evidence for scientific claims is often highly complex, involving technical terminology and intricate domain-specific concepts that require specialized models for accurate verification. Despite considerable interest from the research community, there is a noticeable lack of large-scale scientific claim verification datasets to benchmark and train effective models. To bridge this gap, we introduce two large-scale datasets, SciClaimHunt and SciClaimHunt_Num, derived from scientific research papers. We propose several baseline models tailored for scientific claim verification to assess the effectiveness of these datasets. Additionally, we evaluate models trained on SciClaimHunt and SciClaimHunt_Num against existing scientific claim verification datasets to gauge their quality and reliability. Furthermore, we conduct human evaluations of the claims in proposed datasets and perform error analysis to assess the effectiveness of the proposed baseline models. Our findings indicate that SciClaimHunt and SciClaimHunt_Num serve as highly reliable resources for training models in scientific claim verification.

Predictive process monitoring is a process mining task aimed at forecasting information about a running process trace, such as the most correct next activity to be executed. In medical domains, predictive process monitoring can provide valuable decision support in atypical and nontrivial situations. Decision support and quality assessment in medicine cannot ignore domain knowledge, in order to be grounded on all the available information (which is not limited to data) and to be really acceptable by end users. In this paper, we propose a predictive process monitoring approach relying on the use of a {\em transformer}, a deep learning architecture based on the attention mechanism. A major contribution of our work lies in the incorporation of ontological domain-specific knowledge, carried out through a graph positional encoding technique. The paper presents and discusses the encouraging experimental result we are collecting in the domain of stroke management.

As computational work becomes more and more integral to many aspects of scientific research, computational reproducibility has become an issue of increasing importance to computer systems researchers and domain scientists alike. Though computational reproducibility seems more straight forward than replicating physical experiments, the complex and rapidly changing nature of computer environments makes being able to reproduce and extend such work a serious challenge. In this paper, I explore common reasons that code developed for one research project cannot be successfully executed or extended by subsequent researchers. I review current approaches to these issues, including virtual machines and workflow systems, and their limitations. I then examine how the popular emerging technology Docker combines several areas from systems research - such as operating system virtualization, cross-platform portability, modular re-usable elements, versioning, and a `DevOps' philosophy, to address these challenges. I illustrate this with several examples of Docker use with a focus on the R statistical environment.

AI-powered coding assistants such as GitHub Copilot and OpenAI ChatGPT have achieved notable success in automating code generation. However, these tools rely on pre-trained Large Language Models (LLMs) that are typically trained on human-written code sourced from open-source project hosting sites like GitHub, which often contains inherent security vulnerabilities. These vulnerabilities may then be mirrored in the code generated by these LLMs, a critical risk revealed and highlighted by recent empirical studies. In this work, we present an exploratory study on whether fine-tuning pre-trained LLMs on datasets of vulnerability-fixing commits can promote secure code generation. We explored two parameter-efficient fine-tuning techniques (LoRa and IA3) on two pre-trained LLMs for code generation. We crawled a fine-tuning dataset (14,622 C and C++ files) for secure code generation by collecting code fixes of confirmed vulnerabilities from open-source repositories. Our evaluation dataset comprises 52 vulnerability scenarios designed to cover the top most dangerous C and C++ Common Weakness Enumerations (CWEs). Each scenario is a prompt that may induce LLMs to generate vulnerable code. Our exploration reveals that fine-tuning LLMs can improve secure code generation by 6.4% in C language and 5.4% in C++ language. We further experimented with fine-tuning LLMs using different versions of the collected secure code dataset (block, function, and line). We found that fine-tuning with function-level and block-level datasets achieves the best secure code generation performance, compared to the alternatives (file-level and line-level).

Training new engineers in digital design is a challenge, particularly when it comes to teaching the complex electronic design automation (EDA) tooling used in this domain. Learners will typically deploy designs in the Verilog and VHDL hardware description languages to Field Programmable Gate Arrays (FPGAs) from Altera (Intel) and Xilinx (AMD) via proprietary closed-source toolchains (Quartus Prime and Vivado, respectively). These tools are complex and difficult to use -- yet, as they are the tools used in industry, they are an essential first step in this space. In this work, we examine how recent advances in artificial intelligence may be leveraged to address aspects of this challenge. Specifically, we investigate if Large Language Models (LLMs), which have demonstrated text comprehension and question-answering capabilities, can be used to generate novice-friendly explanations of compile-time synthesis error messages from Quartus Prime and Vivado. To perform this study we generate 936 error message explanations using three OpenAI LLMs over 21 different buggy code samples. These are then graded for relevance and correctness, and we find that in approximately 71% of cases the LLMs give correct & complete explanations suitable for novice learners.

A growing number of papers are published in the area of superconducting materials science. However, novel text and data mining (TDM) processes are still needed to efficiently access and exploit this accumulated knowledge, paving the way towards data-driven materials design. Herein, we present SuperMat (Superconductor Materials), an annotated corpus of linked data derived from scientific publications on superconductors, which comprises 142 articles, 16052 entities, and 1398 links that are characterised into six categories: the names, classes, and properties of materials; links to their respective superconducting critical temperature (Tc); and parametric conditions such as applied pressure or measurement methods. The construction of SuperMat resulted from a fruitful collaboration between computer scientists and material scientists, and its high quality is ensured through validation by domain experts. The quality of the annotation guidelines was ensured by satisfactory Inter Annotator Agreement (IAA) between the annotators and the domain experts. SuperMat includes the dataset, annotation guidelines, and annotation support tools that use automatic suggestions to help minimise human errors.

Patent examiners need to solve a complex information retrieval task when they assess the novelty and inventive step of claims made in a patent application. Given a claim, they search for prior art, which comprises all relevant publicly available information. This time-consuming task requires a deep understanding of the respective technical domain and the patent-domain-specific language. For these reasons, we address the computer-assisted search for prior art by creating a training dataset for supervised machine learning called PatentMatch. It contains pairs of claims from patent applications and semantically corresponding text passages of different degrees from cited patent documents. Each pair has been labeled by technically-skilled patent examiners from the European Patent Office. Accordingly, the label indicates the degree of semantic correspondence (matching), i.e., whether the text passage is prejudicial to the novelty of the claimed invention or not. Preliminary experiments using a baseline system show that PatentMatch can indeed be used for training a binary text pair classifier on this challenging information retrieval task. The dataset is available online: https://hpi.de/naumann/s/patentmatch.

Expert problem-solving is driven by powerful languages for thinking about problems and their solutions. Acquiring expertise means learning these languages -- systems of concepts, alongside the skills to use them. We present DreamCoder, a system that learns to solve problems by writing programs. It builds expertise by creating programming languages for expressing domain concepts, together with neural networks to guide the search for programs within these languages. A ``wake-sleep'' learning algorithm alternately extends the language with new symbolic abstractions and trains the neural network on imagined and replayed problems. DreamCoder solves both classic inductive programming tasks and creative tasks such as drawing pictures and building scenes. It rediscovers the basics of modern functional programming, vector algebra and classical physics, including Newton's and Coulomb's laws. Concepts are built compositionally from those learned earlier, yielding multi-layered symbolic representations that are interpretable and transferrable to new tasks, while still growing scalably and flexibly with experience.

The recent rise in the popularity of large language models has spurred the development of extensive code datasets needed to train them. This has left limited code available for collection and use in the downstream investigation of specific behaviors, or evaluation of large language models without suffering from data contamination. To address this problem, we release The Heap, a large multilingual dataset covering 57 programming languages that has been deduplicated with respect to other open datasets of code, enabling researchers to conduct fair evaluations of large language models without significant data cleaning overhead.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy. Our code can be found at https://github.com/plai-group/gsdm.

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.

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

Advances in natural language processing have resulted in large language models (LLMs) that are capable of generating understandable and sensible written text. Recent versions of these models, such as OpenAI Codex and GPT-3, can generate code and code explanations. However, it is unclear whether and how students might engage with such explanations. In this paper, we report on our experiences generating multiple code explanation types using LLMs and integrating them into an interactive e-book on web software development. We modified the e-book to make LLM-generated code explanations accessible through buttons next to code snippets in the materials, which allowed us to track the use of the explanations as well as to ask for feedback on their utility. Three different types of explanations were available for students for each explainable code snippet; a line-by-line explanation, a list of important concepts, and a high-level summary of the code. Our preliminary results show that all varieties of explanations were viewed by students and that the majority of students perceived the code explanations as helpful to them. However, student engagement appeared to vary by code snippet complexity, explanation type, and code snippet length. Drawing on our experiences, we discuss future directions for integrating explanations generated by LLMs into existing computer science classrooms.

Large Language Models, such as the GPT series, have driven significant industrial applications, leading to economic and societal transformations. However, a comprehensive understanding of their real-world applications remains limited. To address this, we introduce REALM, a dataset of over 94,000 LLM use cases collected from Reddit and news articles. REALM captures two key dimensions: the diverse applications of LLMs and the demographics of their users. It categorizes LLM applications and explores how users' occupations relate to the types of applications they use. By integrating real-world data, REALM offers insights into LLM adoption across different domains, providing a foundation for future research on their evolving societal roles. A dedicated dashboard https://realm-e7682.web.app/ presents the data.

Code Language Models have been trained to generate accurate solutions, typically with no regard for runtime. On the other hand, previous works that explored execution optimisation have observed corresponding drops in functional correctness. To that end, we introduce Code-Optimise, a framework that incorporates both correctness (passed, failed) and runtime (quick, slow) as learning signals via self-generated preference data. Our framework is both lightweight and robust as it dynamically selects solutions to reduce overfitting while avoiding a reliance on larger models for learning signals. Code-Optimise achieves significant improvements in pass@k while decreasing the competitive baseline runtimes by an additional 6% for in-domain data and up to 3% for out-of-domain data. As a byproduct, the average length of the generated solutions is reduced by up to 48% on MBPP and 23% on HumanEval, resulting in faster and cheaper inference. The generated data and codebase will be open-sourced at www.open-source.link.

Being predominant in digital entertainment for decades, video games have been recognized as valuable software artifacts by the software engineering (SE) community just recently. Such an acknowledgment has unveiled several research opportunities, spanning from empirical studies to the application of AI techniques for classification tasks. In this respect, several curated game datasets have been disclosed for research purposes even though the collected data are insufficient to support the application of advanced models or to enable interdisciplinary studies. Moreover, the majority of those are limited to PC games, thus excluding notorious gaming platforms, e.g., PlayStation, Xbox, and Nintendo. In this paper, we propose PlayMyData, a curated dataset composed of 99,864 multi-platform games gathered by IGDB website. By exploiting a dedicated API, we collect relevant metadata for each game, e.g., description, genre, rating, gameplay video URLs, and screenshots. Furthermore, we enrich PlayMyData with the timing needed to complete each game by mining the HLTB website. To the best of our knowledge, this is the most comprehensive dataset in the domain that can be used to support different automated tasks in SE. More importantly, PlayMyData can be used to foster cross-domain investigations built on top of the provided multimedia data.

Given the dynamic nature of toxic language use, automated methods for detecting toxic spans are likely to encounter distributional shift. To explore this phenomenon, we evaluate three approaches for detecting toxic spans under cross-domain conditions: lexicon-based, rationale extraction, and fine-tuned language models. Our findings indicate that a simple method using off-the-shelf lexicons performs best in the cross-domain setup. The cross-domain error analysis suggests that (1) rationale extraction methods are prone to false negatives, while (2) language models, despite performing best for the in-domain case, recall fewer explicitly toxic words than lexicons and are prone to certain types of false positives. Our code is publicly available at: https://github.com/sfschouten/toxic-cross-domain.

Information extraction and textual comprehension from materials literature are vital for developing an exhaustive knowledge base that enables accelerated materials discovery. Language models have demonstrated their capability to answer domain-specific questions and retrieve information from knowledge bases. However, there are no benchmark datasets in the materials domain that can evaluate the understanding of the key concepts by these language models. In this work, we curate a dataset of 650 challenging questions from the materials domain that require the knowledge and skills of a materials student who has cleared their undergraduate degree. We classify these questions based on their structure and the materials science domain-based subcategories. Further, we evaluate the performance of GPT-3.5 and GPT-4 models on solving these questions via zero-shot and chain of thought prompting. It is observed that GPT-4 gives the best performance (~62% accuracy) as compared to GPT-3.5. Interestingly, in contrast to the general observation, no significant improvement in accuracy is observed with the chain of thought prompting. To evaluate the limitations, we performed an error analysis, which revealed conceptual errors (~64%) as the major contributor compared to computational errors (~36%) towards the reduced performance of LLMs. We hope that the dataset and analysis performed in this work will promote further research in developing better materials science domain-specific LLMs and strategies for information extraction.

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.

Autonomous driving is among the largest domains in which deep learning has been fundamental for progress within the last years. The rise of datasets went hand in hand with this development. All the more striking is the fact that researchers do not have a tool available that provides a quick, comprehensive and up-to-date overview of data sets and their features in the domain of autonomous driving. In this paper, we present ad-datasets, an online tool that provides such an overview for more than 150 data sets. The tool enables users to sort and filter the data sets according to currently 16 different categories. ad-datasets is an open-source project with community contributions. It is in constant development, ensuring that the content stays up-to-date.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence, capable of processing and understanding extensive human knowledge to enhance problem-solving across various domains. This paper explores the potential of LLMs to drive the discovery of symbolic solutions within scientific and engineering disciplines, where such solutions are crucial for advancing theoretical and practical applications. We propose a novel framework that utilizes LLMs in an evolutionary search methodology, augmented by a dynamic knowledge library that integrates and refines insights in an open-ended manner. This approach aims to tackle the dual challenges of efficiently navigating complex symbolic representation spaces and leveraging both existing and newly generated knowledge to foster open-ended innovation. By enabling LLMs to interact with and expand upon a knowledge library, we facilitate the continuous generation of novel solutions in diverse forms such as language, code, and mathematical expressions. Our experimental results demonstrate that this method not only enhances the efficiency of searching for symbolic solutions but also supports the ongoing discovery process, akin to human scientific endeavors. This study represents a first effort in conceptualizing the search for symbolic solutions as a lifelong, iterative process, marking a significant step towards harnessing AI in the perpetual pursuit of scientific and engineering breakthroughs. We have open-sourced our code and data, please visit https://github.com/pgg3/CoEvo for more information.