Daily Papers

Hallucinations in large language models (LLMs) are commonly regarded as errors to be minimized. However, recent perspectives suggest that some hallucinations may encode creative or epistemically valuable content, a dimension that remains underquantified in current literature. Existing hallucination detection methods primarily focus on factual consistency, struggling to handle heterogeneous scientific tasks and balance creativity with accuracy. To address these challenges, we propose HIC-Bench, a novel evaluation framework that categorizes hallucinations into Intelligent Hallucinations (IH) and Defective Hallucinations (DH), enabling systematic investigation of their interplay in LLM creativity. HIC-Bench features three core characteristics: (1) Structured IH/DH Assessment. using a multi-dimensional metric matrix integrating Torrance Tests of Creative Thinking (TTCT) metrics (Originality, Feasibility, Value) with hallucination-specific dimensions (scientific plausibility, factual deviation); (2) Cross-Domain Applicability. spanning ten scientific domains with open-ended innovation tasks; and (3) Dynamic Prompt Optimization. leveraging the Dynamic Hallucination Prompt (DHP) to guide models toward creative and reliable outputs. The evaluation process employs multiple LLM judges, averaging scores to mitigate bias, with human annotators verifying IH/DH classifications. Experimental results reveal a nonlinear relationship between IH and DH, demonstrating that creativity and correctness can be jointly optimized. These insights position IH as a catalyst for creativity and reveal the ability of LLM hallucinations to drive scientific innovation.Additionally, the HIC-Bench offers a valuable platform for advancing research into the creative intelligence of LLM hallucinations.

Multi-agent systems have demonstrated exceptional performance in downstream tasks beyond diverse single agent baselines. A growing body of work has explored ways to improve their reasoning and collaboration, from vote, debate, to complex interaction protocols. However, it still remains opaque why specific choice would be preferred in multi-agent systems. Inspired by the decision-making mechanism of democratic committees and The Society of Mind, we introduce Roundtable Policy, an inference-time reasoning framework for multi-agent systems that performs inference through the weighted consensus of multiple LLMs. Through extensive experiments, we demonstrate its that this approach significantly enhances reasoning in complex heterogeneous scientific tasks. Roundtable Policy emphasizes structured and interpretable inference rather than opaque convergence, while requires only black-box access and uniform procedures, making it broadly applicable to diverse multi-agent systems.

Despite a surge collection of XAI methods, users still struggle to obtain required AI explanations. Previous research suggests chatbots as dynamic solutions, but the effective design of conversational XAI agents for practical human needs remains under-explored. This paper focuses on Conversational XAI for AI-assisted scientific writing tasks. Drawing from human linguistic theories and formative studies, we identify four design rationales: "multifaceted", "controllability", "mix-initiative", "context-aware drill-down". We incorporate them into an interactive prototype, ConvXAI, which facilitates heterogeneous AI explanations for scientific writing through dialogue. In two studies with 21 users, ConvXAI outperforms a GUI-based baseline on improving human-perceived understanding and writing improvement. The paper further discusses the practical human usage patterns in interacting with ConvXAI for scientific co-writing.

Scientific literature understanding tasks have gained significant attention due to their potential to accelerate scientific discovery. Pre-trained language models (LMs) have shown effectiveness in these tasks, especially when tuned via contrastive learning. However, jointly utilizing pre-training data across multiple heterogeneous tasks (e.g., extreme classification, citation prediction, and literature search) remains largely unexplored. To bridge this gap, we propose a multi-task contrastive learning framework, SciMult, with a focus on facilitating common knowledge sharing across different scientific literature understanding tasks while preventing task-specific skills from interfering with each other. To be specific, we explore two techniques -- task-aware specialization and instruction tuning. The former adopts a Mixture-of-Experts Transformer architecture with task-aware sub-layers; the latter prepends task-specific instructions to the input text so as to produce task-aware outputs. Extensive experiments on a comprehensive collection of benchmark datasets verify the effectiveness of our task-aware specialization strategy in various tasks, where we outperform state-of-the-art scientific LMs.

Large Language Models (LLMs) and other foundation models are increasingly used as the core of AI agents. In agentic workflows, these agents plan tasks, interact with humans and peers, and influence scientific outcomes across federated and heterogeneous environments. However, agents can hallucinate or reason incorrectly, propagating errors when one agent's output becomes another's input. Thus, assuring that agents' actions are transparent, traceable, reproducible, and reliable is critical to assess hallucination risks and mitigate their workflow impacts. While provenance techniques have long supported these principles, existing methods fail to capture and relate agent-centric metadata such as prompts, responses, and decisions with the broader workflow context and downstream outcomes. In this paper, we introduce PROV-AGENT, a provenance model that extends W3C PROV and leverages the Model Context Protocol (MCP) and data observability to integrate agent interactions into end-to-end workflow provenance. Our contributions include: (1) a provenance model tailored for agentic workflows, (2) a near real-time, open-source system for capturing agentic provenance, and (3) a cross-facility evaluation spanning edge, cloud, and HPC environments, demonstrating support for critical provenance queries and agent reliability analysis.

Table Extraction (TE) consists in extracting tables from PDF documents, in a structured format which can be automatically processed. While numerous TE tools exist, the variety of methods and techniques makes it difficult for users to choose an appropriate one. We propose a novel benchmark for assessing end-to-end TE methods (from PDF to the final table). We contribute an analysis of TE evaluation metrics, and the design of a rigorous evaluation process, which allows scoring each TE sub-task as well as end-to-end TE, and captures model uncertainty. Along with a prior dataset, our benchmark comprises two new heterogeneous datasets of 37k samples. We run our benchmark on diverse models, including off-the-shelf libraries, software tools, large vision language models, and approaches based on computer vision. The results demonstrate that TE remains challenging: current methods suffer from a lack of generalizability when facing heterogeneous data, and from limitations in robustness and interpretability.

We present a model that can perform multiple vision tasks and can be adapted to other downstream tasks efficiently. Despite considerable progress in multi-task learning, most efforts focus on learning from multi-label data: a single image set with multiple task labels. Such multi-label data sets are rare, small, and expensive. We say heterogeneous to refer to image sets with different task labels, or to combinations of single-task datasets. Few have explored training on such heterogeneous datasets. General-purpose vision models are still dominated by single-task pretraining, and it remains unclear how to scale up multi-task models by leveraging mainstream vision datasets designed for different purposes. The challenges lie in managing large intrinsic differences among vision tasks, including data distribution, architectures, task-specific modules, dataset scales, and sampling strategies. To address these challenges, we propose to modify and scale up mixture-of-experts (MoE) vision transformers, so that they can simultaneously learn classification, detection, and segmentation on diverse mainstream vision datasets including ImageNet, COCO, and ADE20K. Our approach achieves comparable results to single-task state-of-the-art models and demonstrates strong generalization on downstream tasks. Due to its emergent modularity, this general-purpose model decomposes into high-performing components, efficiently adapting to downstream tasks. We can fine-tune it with fewer training parameters, fewer model parameters, and less computation. Additionally, its modularity allows for easy expansion in continual-learning-without-forgetting scenarios. Finally, these functions can be controlled and combined to meet various demands of downstream tasks.

Predicting multiple heterogeneous biological and medical targets is a challenge for traditional deep learning models. In contrast to single-task learning, in which a separate model is trained for each target, multi-task learning (MTL) optimizes a single model to predict multiple related targets simultaneously. To address this challenge, we propose the Multi-gate Mixture-of-Experts with Exclusivity (MMoEEx). Our work aims to tackle the heterogeneous MTL setting, in which the same model optimizes multiple tasks with different characteristics. Such a scenario can overwhelm current MTL approaches due to the challenges in balancing shared and task-specific representations and the need to optimize tasks with competing optimization paths. Our method makes two key contributions: first, we introduce an approach to induce more diversity among experts, thus creating representations more suitable for highly imbalanced and heterogenous MTL learning; second, we adopt a two-step optimization [6, 11] approach to balancing the tasks at the gradient level. We validate our method on three MTL benchmark datasets, including Medical Information Mart for Intensive Care (MIMIC-III) and PubChem BioAssay (PCBA).

The current landscape of AI for Science (AI4S) is predominantly anchored in large-scale textual corpora, where generative AI systems excel at hypothesis generation, literature search, and multi-modal reasoning. However, a critical bottleneck for accelerating closed-loop scientific discovery remains the utilization of raw experimental data. Characterized by extreme heterogeneity, high specificity, and deep domain expertise requirements, raw data possess neither direct semantic alignment with linguistic representations nor structural homogeneity suitable for a unified embedding space. The disconnect prevents the emerging class of Artificial General Intelligence for Science (AGI4S) from effectively interfacing with the physical reality of experimentation. In this work, we extend the text-centric AI-Ready concept to Scientific AI-Ready data paradigm, explicitly formalizing how scientific data is specified, structured, and composed within a computational workflow. To operationalize this idea, we propose SciDataCopilot, an autonomous agentic framework designed to handle data ingestion, scientific intent parsing, and multi-modal integration in a end-to-end manner. By positioning data readiness as a core operational primitive, the framework provides a principled foundation for reusable, transferable systems, enabling the transition toward experiment-driven scientific general intelligence. Extensive evaluations across three heterogeneous scientific domains show that SciDataCopilot improves efficiency, scalability, and consistency over manual pipelines, with up to 30times speedup in data preparation.

Task Arithmetic is a model merging technique that enables the combination of multiple models' capabilities into a single model through simple arithmetic in the weight space, without the need for additional fine-tuning or access to the original training data. However, the factors that determine the success of Task Arithmetic remain unclear. In this paper, we examine Task Arithmetic for multi-task learning by framing it as a one-shot Federated Learning problem. We demonstrate that Task Arithmetic is mathematically equivalent to the commonly used algorithm in Federated Learning, called Federated Averaging (FedAvg). By leveraging well-established theoretical results from FedAvg, we identify two key factors that impact the performance of Task Arithmetic: data heterogeneity and training heterogeneity. To mitigate these challenges, we adapt several algorithms from Federated Learning to improve the effectiveness of Task Arithmetic. Our experiments demonstrate that applying these algorithms can often significantly boost performance of the merged model compared to the original Task Arithmetic approach. This work bridges Task Arithmetic and Federated Learning, offering new theoretical perspectives on Task Arithmetic and improved practical methodologies for model merging.

LLM agents hold significant promise for advancing scientific research. To accelerate this progress, we introduce AIRS-Bench (the AI Research Science Benchmark), a suite of 20 tasks sourced from state-of-the-art machine learning papers. These tasks span diverse domains, including language modeling, mathematics, bioinformatics, and time series forecasting. AIRS-Bench tasks assess agentic capabilities over the full research lifecycle -- including idea generation, experiment analysis and iterative refinement -- without providing baseline code. The AIRS-Bench task format is versatile, enabling easy integration of new tasks and rigorous comparison across different agentic frameworks. We establish baselines using frontier models paired with both sequential and parallel scaffolds. Our results show that agents exceed human SOTA in four tasks but fail to match it in sixteen others. Even when agents surpass human benchmarks, they do not reach the theoretical performance ceiling for the underlying tasks. These findings indicate that AIRS-Bench is far from saturated and offers substantial room for improvement. We open-source the AIRS-Bench task definitions and evaluation code to catalyze further development in autonomous scientific research.

As general purpose vision models get increasingly effective at a wide set of tasks, it is imperative that they be consistent across the tasks they support. Inconsistent AI models are considered brittle and untrustworthy by human users and are more challenging to incorporate into larger systems that take dependencies on their outputs. Measuring consistency between very heterogeneous tasks that might include outputs in different modalities is challenging since it is difficult to determine if the predictions are consistent with one another. As a solution, we introduce a benchmark dataset, COCOCON, where we use contrast sets created by modifying test instances for multiple tasks in small but semantically meaningful ways to change the gold label, and outline metrics for measuring if a model is consistent by ranking the original and perturbed instances across tasks. We find that state-of-the-art systems suffer from a surprisingly high degree of inconsistent behavior across tasks, especially for more heterogeneous tasks. Finally, we propose using a rank correlation-based auxiliary objective computed over large automatically created cross-task contrast sets to improve the multi-task consistency of large unified models, while retaining their original accuracy on downstream tasks. Project website available at https://adymaharana.github.io/cococon/

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

Evaluation plays a crucial role in the advancement of information retrieval (IR) models. However, current benchmarks, which are based on predefined domains and human-labeled data, face limitations in addressing evaluation needs for emerging domains both cost-effectively and efficiently. To address this challenge, we propose the Automated Heterogeneous Information Retrieval Benchmark (AIR-Bench). AIR-Bench is distinguished by three key features: 1) Automated. The testing data in AIR-Bench is automatically generated by large language models (LLMs) without human intervention. 2) Heterogeneous. The testing data in AIR-Bench is generated with respect to diverse tasks, domains and languages. 3) Dynamic. The domains and languages covered by AIR-Bench are constantly augmented to provide an increasingly comprehensive evaluation benchmark for community developers. We develop a reliable and robust data generation pipeline to automatically create diverse and high-quality evaluation datasets based on real-world corpora. Our findings demonstrate that the generated testing data in AIR-Bench aligns well with human-labeled testing data, making AIR-Bench a dependable benchmark for evaluating IR models. The resources in AIR-Bench are publicly available at https://github.com/AIR-Bench/AIR-Bench.

Scientific machine learning research spans diverse domains and data modalities, yet existing benchmark efforts remain siloed and lack standardization. This makes novel and transformative applications of machine learning to critical scientific use-cases more fragmented and less clear in pathways to impact. This paper introduces an ontology for scientific benchmarking developed through a unified, community-driven effort that extends the MLCommons ecosystem to cover physics, chemistry, materials science, biology, climate science, and more. Building on prior initiatives such as XAI-BENCH, FastML Science Benchmarks, PDEBench, and the SciMLBench framework, our effort consolidates a large set of disparate benchmarks and frameworks into a single taxonomy of scientific, application, and system-level benchmarks. New benchmarks can be added through an open submission workflow coordinated by the MLCommons Science Working Group and evaluated against a six-category rating rubric that promotes and identifies high-quality benchmarks, enabling stakeholders to select benchmarks that meet their specific needs. The architecture is extensible, supporting future scientific and AI/ML motifs, and we discuss methods for identifying emerging computing patterns for unique scientific workloads. The MLCommons Science Benchmarks Ontology provides a standardized, scalable foundation for reproducible, cross-domain benchmarking in scientific machine learning. A companion webpage for this work has also been developed as the effort evolves: https://mlcommons-science.github.io/benchmark/

As large language models (LLMs) advance, the ultimate vision for their role in science is emerging: we could build an AI collaborator to effectively assist human beings throughout the entire scientific research process. We refer to this envisioned system as ResearchGPT. Given that scientific research progresses through multiple interdependent phases, achieving this vision requires rigorous benchmarks that evaluate the end-to-end workflow rather than isolated sub-tasks. To this end, we contribute CS-54k, a high-quality corpus of scientific Q&A pairs in computer science, built from 14k CC-licensed papers. It is constructed through a scalable, paper-grounded pipeline that combines retrieval-augmented generation (RAG) with multi-stage quality control to ensure factual grounding. From this unified corpus, we derive two complementary subsets: CS-4k, a carefully curated benchmark for evaluating AI's ability to assist scientific research, and CS-50k, a large-scale training dataset. Extensive experiments demonstrate that CS-4k stratifies state-of-the-art LLMs into distinct capability tiers. Open models trained on CS-50k with supervised training and reinforcement learning demonstrate substantial improvements. Even 7B-scale models, when properly trained, outperform many larger proprietary systems, such as GPT-4.1, GPT-4o, and Gemini 2.5 Pro. This indicates that making AI models better research assistants relies more on domain-aligned training with high-quality data than on pretraining scale or general benchmark performance. We release CS-4k and CS-50k in the hope of fostering AI systems as reliable collaborators in CS research.

For decades, researchers have developed task-specific models to address scientific challenges across diverse disciplines. Recently, large language models (LLMs) have shown enormous capabilities in handling general tasks; however, these models encounter difficulties in addressing real-world scientific problems, particularly in domains involving large-scale numerical data analysis, such as experimental high energy physics. This limitation is primarily due to BPE tokenization's inefficacy with numerical data. In this paper, we propose a task-agnostic architecture, BBT-Neutron, which employs a binary tokenization method to facilitate pretraining on a mixture of textual and large-scale numerical experimental data. We demonstrate the application of BBT-Neutron to Jet Origin Identification (JoI), a critical categorization challenge in high-energy physics that distinguishes jets originating from various quarks or gluons. Our results indicate that BBT-Neutron achieves comparable performance to state-of-the-art task-specific JoI models. Furthermore, we examine the scaling behavior of BBT-Neutron's performance with increasing data volume, suggesting the potential for BBT-Neutron to serve as a foundational model for particle physics data analysis, with possible extensions to a broad spectrum of scientific computing applications for Big Science experiments, industrial manufacturing and spacial computing. The project code is available at https://github.com/supersymmetry-technologies/bbt-neutron.

Within the past few decades we have witnessed digital revolution, which moved scholarly communication to electronic media and also resulted in a substantial increase in its volume. Nowadays keeping track with the latest scientific achievements poses a major challenge for the researchers. Scientific information overload is a severe problem that slows down scholarly communication and knowledge propagation across the academia. Modern research infrastructures facilitate studying scientific literature by providing intelligent search tools, proposing similar and related documents, visualizing citation and author networks, assessing the quality and impact of the articles, and so on. In order to provide such high quality services the system requires the access not only to the text content of stored documents, but also to their machine-readable metadata. Since in practice good quality metadata is not always available, there is a strong demand for a reliable automatic method of extracting machine-readable metadata directly from source documents. This research addresses these problems by proposing an automatic, accurate and flexible algorithm for extracting wide range of metadata directly from scientific articles in born-digital form. Extracted information includes basic document metadata, structured full text and bibliography section. Designed as a universal solution, proposed algorithm is able to handle a vast variety of publication layouts with high precision and thus is well-suited for analyzing heterogeneous document collections. This was achieved by employing supervised and unsupervised machine-learning algorithms trained on large, diverse datasets. The evaluation we conducted showed good performance of proposed metadata extraction algorithm. The comparison with other similar solutions also proved our algorithm performs better than competition for most metadata types.

Evolutionary multitasking (EMT) has emerged as a popular topic of evolutionary computation over the past decade. It aims to concurrently address multiple optimization tasks within limited computing resources, leveraging inter-task knowledge transfer techniques. Despite the abundance of multitask evolutionary algorithms (MTEAs) proposed for multitask optimization (MTO), there remains a need for a comprehensive software platform to help researchers evaluate MTEA performance on benchmark MTO problems as well as explore real-world applications. To bridge this gap, we introduce the first open-source benchmarking platform, named MToP, for EMT. MToP incorporates over 50 MTEAs, more than 200 MTO problem cases with real-world applications, and over 20 performance metrics. Based on these, we provide benchmarking recommendations tailored for different MTO scenarios. Moreover, to facilitate comparative analyses between MTEAs and traditional evolutionary algorithms, we adapted over 50 popular single-task evolutionary algorithms to address MTO problems. Notably, we release extensive pre-run experimental data on benchmark suites to enhance reproducibility and reduce computational overhead for researchers. MToP features a user-friendly graphical interface, facilitating results analysis, data export, and schematic visualization. More importantly, MToP is designed with extensibility in mind, allowing users to develop new algorithms and tackle emerging problem domains. The source code of MToP is available at: https://github.com/intLyc/MTO-Platform

Large language model (LLM)-powered agents are transforming digital devices from passive tools into proactive intelligent collaborators. However, most existing frameworks remain confined to a single OS or device, making cross-device workflows brittle and largely manual. We present UFO^3, a system that unifies heterogeneous endpoints, desktops, servers, mobile devices, and edge, into a single orchestration fabric. UFO^3 models each user request as a mutable TaskConstellation: a distributed DAG of atomic subtasks (TaskStars) with explicit control and data dependencies (TaskStarLines). The TaskConstellation continuously evolves as results stream in from distributed devices, enabling asynchronous execution, adaptive recovery, and dynamic optimization. A Constellation Orchestrator} executes tasks safely and asynchronously while applying dynamic DAG updates, and the Agent Interaction Protocol (AIP) provides persistent, low-latency channels for reliable task dispatch and result streaming. These designs dissolve the traditional boundaries between devices and platforms, allowing agents to collaborate seamlessly and amplify their collective intelligence. We evaluate UFO^3 on NebulaBench, a benchmark of 55 cross-device tasks across 5 machines and 10 categories. UFO^3 achieves 83.3% subtask completion, 70.9% task success, exposes parallelism with an average width of 1.72, and reduces end-to-end latency by 31% relative to a sequential baseline. Fault-injection experiments demonstrate graceful degradation and recovery under transient and permanent agent failures. These results show that UFO^3 achieves accurate, efficient, and resilient task orchestration across heterogeneous devices, uniting isolated agents into a coherent, adaptive computing fabric that extends across the landscape of ubiquitous computing.

In heterogeneous multi-task decision-making, tasks not only exhibit diverse observation and action spaces but also vary substantially in their underlying complexities. While conventional multi-task world models like UniZero excel in single-task settings, we find that when handling a broad and diverse suite of tasks, gradient conflicts and the loss of model plasticity often constrain their sample efficiency. In this work, we address these challenges from two complementary perspectives: the single learning iteration and the overall learning process. First, to mitigate the gradient conflicts, we systematically investigate key architectural designs for extending UniZero. Our investigation identifies a Mixture-of-Experts (MoE) architecture as the most effective approach. We demonstrate, both theoretically and empirically, that this architecture alleviates gradient conflicts by routing task-specific representations to specialized sub-networks. This finding leads to our proposed model, ScaleZero. Second, to dynamically allocate model capacity throughout the learning process, we introduce an online Dynamic Parameter Scaling (DPS) strategy. This strategy progressively integrates LoRA adapters in response to task-specific progress, enabling adaptive knowledge retention and parameter expansion. Evaluations on a diverse set of standard benchmarks (Atari, DMC, Jericho) demonstrate that ScaleZero, utilizing solely online reinforcement learning with one model, performs on par with specialized single-task agents. With the DPS strategy, it remains competitive while using just 71.5% of the environment interactions. These findings underscore the potential of ScaleZero for effective multi-task planning. Our code is available at magenta{https://github.com/opendilab/LightZero}.

Exponential increases in scientific experimental data are outstripping the rate of progress in silicon technology. As a result, heterogeneous combinations of architectures and process or device technologies are increasingly important to meet the computing demands of future scientific experiments. However, the complexity of heterogeneous computing systems requires systematic modeling to understand performance. We present a model which addresses this need by framing key aspects of data collection pipelines and constraints, and combines them with the important vectors of technology that shape alternatives, computing metrics that allow complex alternatives to be compared. For instance, a data collection pipeline may be characterized by parameters such as sensor sampling rates, amount of data collected, and the overall relevancy of retrieved samples. Alternatives to this pipeline are enabled by hardware development vectors including advancing CMOS, GPUs, neuromorphic computing, and edge computing. By calculating metrics for each alternative such as overall F1 score, power, hardware cost, and energy expended per relevant sample, this model allows alternate data collection systems to be rigorously compared. To demonstrate this model's capability, we apply it to the CMS experiment (and planned HL-LHC upgrade) to evaluate and compare the application of novel technologies in the data acquisition system (DAQ). We demonstrate that improvements to early stages in the DAQ are highly beneficial, greatly reducing the resources required at later stages of processing (such as a 60% power reduction) and increasing the amount of relevant data retrieved from the experiment per unit power (improving from 0.065 to 0.31 samples/kJ) However, we predict further advances will be required in order to meet overall power and cost constraints for the DAQ.

The cycle of scientific discovery is frequently bottlenecked by the slow, manual creation of software to support computational experiments. To address this, we present an AI system that creates expert-level scientific software whose goal is to maximize a quality metric. The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions. The system achieves expert-level results when it explores and integrates complex research ideas from external sources. The effectiveness of tree search is demonstrated across a wide range of benchmarks. In bioinformatics, it discovered 40 novel methods for single-cell data analysis that outperformed the top human-developed methods on a public leaderboard. In epidemiology, it generated 14 models that outperformed the CDC ensemble and all other individual models for forecasting COVID-19 hospitalizations. Our method also produced state-of-the-art software for geospatial analysis, neural activity prediction in zebrafish, time series forecasting and numerical solution of integrals. By devising and implementing novel solutions to diverse tasks, the system represents a significant step towards accelerating scientific progress.

We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific reasoning benchmarks which focus on conceptual knowledge, or software engineering benchmarks that emphasize generic feature implementation and issue resolving, AInsteinBench evaluates models in end-to-end scientific development settings grounded in production-grade scientific repositories. The benchmark consists of tasks derived from maintainer-authored pull requests across six widely used scientific codebases, spanning quantum chemistry, quantum computing, molecular dynamics, numerical relativity, fluid dynamics, and cheminformatics. All benchmark tasks are carefully curated through multi-stage filtering and expert review to ensure scientific challenge, adequate test coverage, and well-calibrated difficulty. By leveraging evaluation in executable environments, scientifically meaningful failure modes, and test-driven verification, AInsteinBench measures a model's ability to move beyond surface-level code generation toward the core competencies required for computational scientific research.

Scientific literature is growing exponentially, creating a critical bottleneck for researchers to efficiently synthesize knowledge. While general-purpose Large Language Models (LLMs) show potential in text processing, they often fail to capture scientific domain-specific nuances (e.g., technical jargon, methodological rigor) and struggle with complex scientific tasks, limiting their utility for interdisciplinary research. To address these gaps, this paper presents SciGPT, a domain-adapted foundation model for scientific literature understanding and ScienceBench, an open source benchmark tailored to evaluate scientific LLMs. Built on the Qwen3 architecture, SciGPT incorporates three key innovations: (1) low-cost domain distillation via a two-stage pipeline to balance performance and efficiency; (2) a Sparse Mixture-of-Experts (SMoE) attention mechanism that cuts memory consumption by 55\% for 32,000-token long-document reasoning; and (3) knowledge-aware adaptation integrating domain ontologies to bridge interdisciplinary knowledge gaps. Experimental results on ScienceBench show that SciGPT outperforms GPT-4o in core scientific tasks including sequence labeling, generation, and inference. It also exhibits strong robustness in unseen scientific tasks, validating its potential to facilitate AI-augmented scientific discovery.

Can AI systems trained on the scientific record up to a fixed point in time forecast the scientific advances that follow? Such a capability could help researchers identify collaborators and impactful research directions, and anticipate which problems and methods will become central next. We introduce PreScience -- a scientific forecasting benchmark that decomposes the research process into four interdependent generative tasks: collaborator prediction, prior work selection, contribution generation, and impact prediction. PreScience is a carefully curated dataset of 98K recent AI-related research papers, featuring disambiguated author identities, temporally aligned scholarly metadata, and a structured graph of companion author publication histories and citations spanning 502K total papers. We develop baselines and evaluations for each task, including LACERScore, a novel LLM-based measure of contribution similarity that outperforms previous metrics and approximates inter-annotator agreement. We find substantial headroom remains in each task -- e.g. in contribution generation, frontier LLMs achieve only moderate similarity to the ground-truth (GPT-5, averages 5.6 on a 1-10 scale). When composed into a 12-month end-to-end simulation of scientific production, the resulting synthetic corpus is systematically less diverse and less novel than human-authored research from the same period.

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

Frontier AI agents show increasing promise as scientific research assistants, and may eventually be useful for extended, open-ended research workflows. However, in order to use agents for novel research, we must first assess the underlying faithfulness and correctness of their work. To evaluate agents as research assistants, we introduce ReplicationBench, an evaluation framework that tests whether agents can replicate entire research papers drawn from the astrophysics literature. Astrophysics, where research relies heavily on archival data and computational study while requiring little real-world experimentation, is a particularly useful testbed for AI agents in scientific research. We split each paper into tasks which require agents to replicate the paper's core contributions, including the experimental setup, derivations, data analysis, and codebase. Each task is co-developed with the original paper authors and targets a key scientific result, enabling objective evaluation of both faithfulness (adherence to original methods) and correctness (technical accuracy of results). ReplicationBench is extremely challenging for current frontier language models: even the best-performing language models score under 20%. We analyze ReplicationBench trajectories in collaboration with domain experts and find a rich, diverse set of failure modes for agents in scientific research. ReplicationBench establishes the first benchmark of paper-scale, expert-validated astrophysics research tasks, reveals insights about agent performance generalizable to other domains of data-driven science, and provides a scalable framework for measuring AI agents' reliability in scientific research.

Mixture of Experts (MoE) offers remarkable performance and computational efficiency by selectively activating subsets of model parameters. Traditionally, MoE models use homogeneous experts, each with identical capacity. However, varying complexity in input data necessitates experts with diverse capabilities, while homogeneous MoE hinders effective expert specialization and efficient parameter utilization. In this study, we propose a novel Heterogeneous Mixture of Experts (HMoE), where experts differ in size and thus possess diverse capacities. This heterogeneity allows for more specialized experts to handle varying token complexities more effectively. To address the imbalance in expert activation, we propose a novel training objective that encourages the frequent activation of smaller experts, enhancing computational efficiency and parameter utilization. Extensive experiments demonstrate that HMoE achieves lower loss with fewer activated parameters and outperforms conventional homogeneous MoE models on various pre-training evaluation benchmarks. Codes will be released upon acceptance.

We describe the SemEval task of extracting keyphrases and relations between them from scientific documents, which is crucial for understanding which publications describe which processes, tasks and materials. Although this was a new task, we had a total of 26 submissions across 3 evaluation scenarios. We expect the task and the findings reported in this paper to be relevant for researchers working on understanding scientific content, as well as the broader knowledge base population and information extraction communities.

As AI evolves, collaboration among heterogeneous models helps overcome data scarcity by enabling knowledge transfer across institutions and devices. Traditional Federated Learning (FL) only supports homogeneous models, limiting collaboration among clients with heterogeneous model architectures. To address this, Heterogeneous Federated Learning (HtFL) methods are developed to enable collaboration across diverse heterogeneous models while tackling the data heterogeneity issue at the same time. However, a comprehensive benchmark for standardized evaluation and analysis of the rapidly growing HtFL methods is lacking. Firstly, the highly varied datasets, model heterogeneity scenarios, and different method implementations become hurdles to making easy and fair comparisons among HtFL methods. Secondly, the effectiveness and robustness of HtFL methods are under-explored in various scenarios, such as the medical domain and sensor signal modality. To fill this gap, we introduce the first Heterogeneous Federated Learning Library (HtFLlib), an easy-to-use and extensible framework that integrates multiple datasets and model heterogeneity scenarios, offering a robust benchmark for research and practical applications. Specifically, HtFLlib integrates (1) 12 datasets spanning various domains, modalities, and data heterogeneity scenarios; (2) 40 model architectures, ranging from small to large, across three modalities; (3) a modularized and easy-to-extend HtFL codebase with implementations of 10 representative HtFL methods; and (4) systematic evaluations in terms of accuracy, convergence, computation costs, and communication costs. We emphasize the advantages and potential of state-of-the-art HtFL methods and hope that HtFLlib will catalyze advancing HtFL research and enable its broader applications. The code is released at https://github.com/TsingZ0/HtFLlib.

Despite the growing adoption of large language models (LLMs) in academic workflows, their capabilities remain limited when it comes to supporting high-quality scientific writing. Most existing systems are designed for general-purpose scientific text generation and fail to meet the sophisticated demands of research communication beyond surface-level polishing, such as conceptual coherence across sections. Furthermore, academic writing is inherently iterative and revision-driven, a process not well supported by direct prompting-based paradigms. To address these scenarios, we propose a human-AI collaboration framework for academic paper revision. We first introduce a comprehensive dataset of 7,040 research papers from top-tier venues annotated with over 140,000 instruction-response pairs that reflect realistic, section-level scientific revisions. Building on the dataset, we develop XtraGPT, the first suite of open-source LLMs, designed to provide context-aware, instruction-guided writing assistance, ranging from 1.5B to 14B parameters. Extensive experiments validate that XtraGPT significantly outperforms same-scale baselines and approaches the quality of proprietary systems. Both automated preference assessments and human evaluations confirm the effectiveness of our models in improving scientific drafts.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

Deep research systems are widely used for multi-step web research, analysis, and cross-source synthesis, yet their evaluation remains challenging. Existing benchmarks often require annotation-intensive task construction, rely on static evaluation dimensions, or fail to reliably verify facts when citations are missing. To bridge these gaps, we introduce DeepResearchEval, an automated framework for deep research task construction and agentic evaluation. For task construction, we propose a persona-driven pipeline generating realistic, complex research tasks anchored in diverse user profiles, applying a two-stage filter Task Qualification and Search Necessity to retain only tasks requiring multi-source evidence integration and external retrieval. For evaluation, we propose an agentic pipeline with two components: an Adaptive Point-wise Quality Evaluation that dynamically derives task-specific evaluation dimensions, criteria, and weights conditioned on each generated task, and an Active Fact-Checking that autonomously extracts and verifies report statements via web search, even when citations are missing.

Multi-Task Learning (MTL) is a powerful technique that has gained popularity due to its performance improvement over traditional Single-Task Learning (STL). However, MTL is often challenging because there is an exponential number of possible task groupings, which can make it difficult to choose the best one, and some groupings might produce performance degradation due to negative interference between tasks. Furthermore, existing solutions are severely suffering from scalability issues, limiting any practical application. In our paper, we propose a new data-driven method that addresses these challenges and provides a scalable and modular solution for classification task grouping based on hand-crafted features, specifically Data Maps, which capture the training behavior for each classification task during the MTL training. We experiment with the method demonstrating its effectiveness, even on an unprecedented number of tasks (up to 100).

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.

Benchmarks for large multimodal language models (MLMs) now serve to simultaneously assess the general capabilities of models instead of evaluating for a specific capability. As a result, when a developer wants to identify which models to use for their application, they are overwhelmed by the number of benchmarks and remain uncertain about which benchmark's results are most reflective of their specific use case. This paper introduces Task-Me-Anything, a benchmark generation engine which produces a benchmark tailored to a user's needs. Task-Me-Anything maintains an extendable taxonomy of visual assets and can programmatically generate a vast number of task instances. Additionally, it algorithmically addresses user queries regarding MLM performance efficiently within a computational budget. It contains 113K images, 10K videos, 2K 3D object assets, over 365 object categories, 655 attributes, and 335 relationships. It can generate 750M image/video question-answering pairs, which focus on evaluating MLM perceptual capabilities. Task-Me-Anything reveals critical insights: open-source MLMs excel in object and attribute recognition but lack spatial and temporal understanding; each model exhibits unique strengths and weaknesses; larger models generally perform better, though exceptions exist; and GPT4o demonstrates challenges in recognizing rotating/moving objects and distinguishing colors.

The rapid advancement of Large Language Models (LLMs) has sparked growing interest in their application to time series analysis tasks. However, their ability to perform complex reasoning over temporal data in real-world application domains remains underexplored. To move toward this goal, a first step is to establish a rigorous benchmark dataset for evaluation. In this work, we introduce the TSAIA Benchmark, a first attempt to evaluate LLMs as time-series AI assistants. To ensure both scientific rigor and practical relevance, we surveyed over 20 academic publications and identified 33 real-world task formulations. The benchmark encompasses a broad spectrum of challenges, ranging from constraint-aware forecasting to anomaly detection with threshold calibration: tasks that require compositional reasoning and multi-step time series analysis. The question generator is designed to be dynamic and extensible, supporting continuous expansion as new datasets or task types are introduced. Given the heterogeneous nature of the tasks, we adopt task-specific success criteria and tailored inference-quality metrics to ensure meaningful evaluation for each task. We apply this benchmark to assess eight state-of-the-art LLMs under a unified evaluation protocol. Our analysis reveals limitations in current models' ability to assemble complex time series analysis workflows, underscoring the need for specialized methodologies for domain-specific adaptation. Our benchmark is available at https://huggingface.co/datasets/Melady/TSAIA, and the code is available at https://github.com/USC-Melady/TSAIA.

Workforce transformation across diverse industries has driven an increased demand for specialized natural language processing capabilities. Nevertheless, tasks derived from work-related contexts inherently reflect real-world complexities, characterized by long-tailed distributions, extreme multi-label target spaces, and scarce data availability. The rise of generalist embedding models prompts the question of their performance in the work domain, especially as progress in the field has focused mainly on individual tasks. To this end, we introduce WorkBench, the first unified evaluation suite spanning six work-related tasks formulated explicitly as ranking problems, establishing a common ground for multi-task progress. Based on this benchmark, we find significant positive cross-task transfer, and use this insight to compose task-specific bipartite graphs from real-world data, synthetically enriched through grounding. This leads to Unified Work Embeddings (UWE), a task-agnostic bi-encoder that exploits our training-data structure with a many-to-many InfoNCE objective, and leverages token-level embeddings with task-agnostic soft late interaction. UWE demonstrates zero-shot ranking performance on unseen target spaces in the work domain, enables low-latency inference by caching the task target space embeddings, and shows significant gains in macro-averaged MAP and RP@10 over generalist embedding models.

Foundation Models (FMs) are models trained on large corpora of data that, at very large scale, can generalize to new tasks without any task-specific finetuning. As these models continue to grow in size, innovations continue to push the boundaries of what these models can do on language and image tasks. This paper aims to understand an underexplored area of FMs: classical data tasks like cleaning and integration. As a proof-of-concept, we cast five data cleaning and integration tasks as prompting tasks and evaluate the performance of FMs on these tasks. We find that large FMs generalize and achieve SoTA performance on data cleaning and integration tasks, even though they are not trained for these data tasks. We identify specific research challenges and opportunities that these models present, including challenges with private and domain specific data, and opportunities to make data management systems more accessible to non-experts. We make our code and experiments publicly available at: https://github.com/HazyResearch/fm_data_tasks.

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.

Data science agents promise to accelerate discovery and insight-generation by turning data into executable analyses and findings. Yet existing data science benchmarks fall short due to fragmented evaluation interfaces that make cross-benchmark comparison difficult, narrow task coverage and a lack of rigorous data grounding. In particular, we show that a substantial portion of tasks in current benchmarks can be solved without using the actual data. To address these limitations, we introduce DSGym, a standardized framework for evaluating and training data science agents in self-contained execution environments. Unlike static benchmarks, DSGym provides a modular architecture that makes it easy to add tasks, agent scaffolds, and tools, positioning it as a live, extensible testbed. We curate DSGym-Tasks, a holistic task suite that standardizes and refines existing benchmarks via quality and shortcut solvability filtering. We further expand coverage with (1) DSBio: expert-derived bioinformatics tasks grounded in literature and (2) DSPredict: challenging prediction tasks spanning domains such as computer vision, molecular prediction, and single-cell perturbation. Beyond evaluation, DSGym enables agent training via execution-verified data synthesis pipeline. As a case study, we build a 2,000-example training set and trained a 4B model in DSGym that outperforms GPT-4o on standardized analysis benchmarks. Overall, DSGym enables rigorous end-to-end measurement of whether agents can plan, implement, and validate data analyses in realistic scientific context.

The rapid advancement of large language models (LLMs) and multimodal foundation models has sparked growing interest in their potential for scientific research. However, scientific intelligence encompasses a broad spectrum of abilities ranging from understanding fundamental knowledge to conducting creative discovery, and existing benchmarks remain fragmented. Most focus on narrow tasks and fail to reflect the hierarchical and multi-disciplinary nature of real scientific inquiry. We introduce HiSciBench, a hierarchical benchmark designed to evaluate foundation models across five levels that mirror the complete scientific workflow: Scientific Literacy (L1), Literature Parsing (L2), Literature-based Question Answering (L3), Literature Review Generation (L4), and Scientific Discovery (L5). HiSciBench contains 8,735 carefully curated instances spanning six major scientific disciplines, including mathematics, physics, chemistry, biology, geography, and astronomy, and supports multimodal inputs including text, equations, figures, and tables, as well as cross-lingual evaluation. Unlike prior benchmarks that assess isolated abilities, HiSciBench provides an integrated, dependency-aware framework that enables detailed diagnosis of model capabilities across different stages of scientific reasoning. Comprehensive evaluations of leading models, including GPT-5, DeepSeek-R1, and several multimodal systems, reveal substantial performance gaps: while models achieve up to 69\% accuracy on basic literacy tasks, performance declines sharply to 25\% on discovery-level challenges. HiSciBench establishes a new standard for evaluating scientific Intelligence and offers actionable insights for developing models that are not only more capable but also more reliable. The benchmark will be publicly released to facilitate future research.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.

The distribution of subpopulations is an important property hidden within a dataset. Uncovering and analyzing the subpopulation distribution within datasets provides a comprehensive understanding of the datasets, standing as a powerful tool beneficial to various downstream tasks, including Dataset Subpopulation Organization, Subpopulation Shift, and Slice Discovery. Despite its importance, there has been no work that systematically explores the subpopulation distribution of datasets to our knowledge. To address the limitation and solve all the mentioned tasks in a unified way, we introduce a novel concept of subpopulation structures to represent, analyze, and utilize subpopulation distributions within datasets. To characterize the structures in an interpretable manner, we propose the Subpopulation Structure Discovery with Large Language Models (SSD-LLM) framework, which employs world knowledge and instruction-following capabilities of Large Language Models (LLMs) to linguistically analyze informative image captions and summarize the structures. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery. Furthermore, we propose complete workflows to address downstream tasks, named Task-specific Tuning, showcasing the application of the discovered structure to a spectrum of subpopulation-related tasks, including dataset subpopulation organization, subpopulation shift, and slice discovery.

Multi-Task Learning (MTL) aims to boost predictive performance by sharing information across related tasks, yet conventional methods often suffer from negative transfer when unrelated or noisy tasks are forced to share representations. We propose Robust Multi-Task Boosting using Clustering and Local Ensembling (RMB-CLE), a principled MTL framework that integrates error-based task clustering with local ensembling. Unlike prior work that assumes fixed clusters or hand-crafted similarity metrics, RMB-CLE derives inter-task similarity directly from cross-task errors, which admit a risk decomposition into functional mismatch and irreducible noise, providing a theoretically grounded mechanism to prevent negative transfer. Tasks are grouped adaptively via agglomerative clustering, and within each cluster, a local ensemble enables robust knowledge sharing while preserving task-specific patterns. Experiments show that RMB-CLE recovers ground-truth clusters in synthetic data and consistently outperforms multi-task, single-task, and pooling-based ensemble methods across diverse real-world and synthetic benchmarks. These results demonstrate that RMB-CLE is not merely a combination of clustering and boosting but a general and scalable framework that establishes a new basis for robust multi-task learning.

Language models demonstrate both quantitative improvement and new qualitative capabilities with increasing scale. Despite their potentially transformative impact, these new capabilities are as yet poorly characterized. In order to inform future research, prepare for disruptive new model capabilities, and ameliorate socially harmful effects, it is vital that we understand the present and near-future capabilities and limitations of language models. To address this challenge, we introduce the Beyond the Imitation Game benchmark (BIG-bench). BIG-bench currently consists of 204 tasks, contributed by 442 authors across 132 institutions. Task topics are diverse, drawing problems from linguistics, childhood development, math, common-sense reasoning, biology, physics, social bias, software development, and beyond. BIG-bench focuses on tasks that are believed to be beyond the capabilities of current language models. We evaluate the behavior of OpenAI's GPT models, Google-internal dense transformer architectures, and Switch-style sparse transformers on BIG-bench, across model sizes spanning millions to hundreds of billions of parameters. In addition, a team of human expert raters performed all tasks in order to provide a strong baseline. Findings include: model performance and calibration both improve with scale, but are poor in absolute terms (and when compared with rater performance); performance is remarkably similar across model classes, though with benefits from sparsity; tasks that improve gradually and predictably commonly involve a large knowledge or memorization component, whereas tasks that exhibit "breakthrough" behavior at a critical scale often involve multiple steps or components, or brittle metrics; social bias typically increases with scale in settings with ambiguous context, but this can be improved with prompting.

Designing a generalist scientific agent capable of performing tasks in laboratory settings to assist researchers has become a key goal in recent Artificial Intelligence (AI) research. Unlike everyday tasks, scientific tasks are inherently more delicate and complex, requiring agents to possess a higher level of reasoning ability, structured and temporal understanding of their environment, and a strong emphasis on safety. Existing approaches often fail to address these multifaceted requirements. To tackle these challenges, we present DAVIS. Unlike traditional retrieval-augmented generation (RAG) approaches, DAVIS incorporates structured and temporal memory, which enables model-based planning. Additionally, DAVIS implements an agentic, multi-turn retrieval system, similar to a human's inner monologue, allowing for a greater degree of reasoning over past experiences. DAVIS demonstrates substantially improved performance on the ScienceWorld benchmark comparing to previous approaches on 8 out of 9 elementary science subjects. In addition, DAVIS's World Model demonstrates competitive performance on the famous HotpotQA and MusiqueQA dataset for multi-hop question answering. To the best of our knowledge, DAVIS is the first RAG agent to employ an interactive retrieval method in a RAG pipeline.

Computer-using agents have shown strong potential to boost human productivity and enable new application forms across platforms. While recent advances have led to usable applications, existing benchmarks fail to account for the internal task heterogeneity and the corresponding agent capabilities, as well as their alignment with actual user demands-hindering both targeted capability development and the reliable transition of research progress into practical deployment. To bridge the gap, we present OS-MAP, a benchmark for daily computer-using automation that organizes its 416 realistic tasks across 15 applications along two key dimensions: a five-level taxonomy of automation and a generalization scope derived from a real-world user demand hierarchy. To enable fine-grained analysis of required capabilities and alignment with real-world scenarios, OS-MAP evaluates agents along two dimensions: automation level across a five-level taxonomy, and generalization scope across a demand hierarchy. This design captures varying levels of required agent autonomy and generalization, forming a performance-generalization evaluation matrix for structured and comprehensive assessment. Experiments show that even State-of-the-Art agents with VLM backbones struggle with higher-level tasks involving perception, reasoning, and coordination-highlighting the need for a deeper understanding of current strengths and limitations to drive the future progress in computer-using agents research and deployment. All code, environments, baselines, and data are publicly available at https://github.com/OS-Copilot/OS-Map.

Heterogeneous Federated Learning (HtFL) enables task-specific knowledge sharing among clients with different model architectures while preserving privacy. Despite recent research progress, transferring knowledge in HtFL is still difficult due to data and model heterogeneity. To tackle this, we introduce a public pre-trained generator (e.g., StyleGAN or Stable Diffusion) as the bridge and propose a new upload-efficient knowledge transfer scheme called Federated Knowledge-Transfer-Loop (FedKTL). It can produce task-related prototypical image-vector pairs via the generator's inference on the server. With these pairs, each client can transfer common knowledge from the generator to its local model through an additional supervised local task. We conduct extensive experiments on four datasets under two types of data heterogeneity with 14 heterogeneous models, including CNNs and ViTs. Results show that our FedKTL surpasses seven state-of-the-art methods by up to 7.31%. Moreover, our knowledge transfer scheme is applicable in cloud-edge scenarios with only one edge client. Code: https://github.com/TsingZ0/FedKTL

There has been rapid growth in biomedical literature, yet capturing the heterogeneity of the bibliographic information of these articles remains relatively understudied. Although graph mining research via heterogeneous graph neural networks has taken center stage, it remains unclear whether these approaches capture the heterogeneity of the PubMed database, a vast digital repository containing over 33 million articles. We introduce PubMed Graph Benchmark (PGB), a new benchmark dataset for evaluating heterogeneous graph embeddings for biomedical literature. The benchmark contains rich metadata including abstract, authors, citations, MeSH terms, MeSH hierarchy, and some other information. The benchmark contains three different evaluation tasks encompassing systematic reviews, node classification, and node clustering. In PGB, we aggregate the metadata associated with the biomedical articles from PubMed into a unified source and make the benchmark publicly available for any future works.

We present a scientific reasoning foundation model that aligns natural language with heterogeneous scientific representations. The model is pretrained on a 206B-token corpus spanning scientific text, pure sequences, and sequence-text pairs, then aligned via SFT on 40M instructions, annealed cold-start bootstrapping to elicit long-form chain-of-thought, and reinforcement learning with task-specific reward shaping, which instills deliberate scientific reasoning. It supports four capability families, covering up to 103 tasks across workflows: (i) faithful translation between text and scientific formats, (ii) text/knowledge extraction, (iii) property prediction, (iv) property classification, (v) unconditional and conditional sequence generation and design. Compared with specialist systems, our approach broadens instruction coverage, improves cross-domain generalization, and enhances fidelity. We detail data curation and training and show that cross-discipline learning strengthens transfer and downstream reliability. The model, instruct tuning datasets and the evaluation code are open-sourced at https://huggingface.co/SciReason and https://github.com/open-sciencelab/SciReason.

In the era of large language models, model merging is a promising way to combine multiple task-specific models into a single multitask model without extra training. However, two challenges remain: (a) interference between different models and (b) heterogeneous data during testing. Traditional model merging methods often show significant performance gaps compared to fine-tuned models due to these issues. Additionally, a one-size-fits-all model lacks flexibility for diverse test data, leading to performance degradation. We show that both shared and exclusive task-specific knowledge are crucial for merging performance, but directly merging exclusive knowledge hinders overall performance. In view of this, we propose Twin-Merging, a method that encompasses two principal stages: (1) modularizing knowledge into shared and exclusive components, with compression to reduce redundancy and enhance efficiency; (2) dynamically merging shared and task-specific knowledge based on the input. This approach narrows the performance gap between merged and fine-tuned models and improves adaptability to heterogeneous data. Extensive experiments on 12 datasets for both discriminative and generative tasks demonstrate the effectiveness of our method, showing an average improvement of 28.34% in absolute normalized score for discriminative tasks and even surpassing the fine-tuned upper bound on the generative tasks. (Our implementation is available in https://github.com/LZY-the-boys/Twin-Mergin.)

Learning discriminative task-specific features simultaneously for multiple distinct tasks is a fundamental problem in multi-task learning. Recent state-of-the-art models consider directly decoding task-specific features from one shared task-generic feature (e.g., feature from a backbone layer), and utilize carefully designed decoders to produce multi-task features. However, as the input feature is fully shared and each task decoder also shares decoding parameters for different input samples, it leads to a static feature decoding process, producing less discriminative task-specific representations. To tackle this limitation, we propose TaskExpert, a novel multi-task mixture-of-experts model that enables learning multiple representative task-generic feature spaces and decoding task-specific features in a dynamic manner. Specifically, TaskExpert introduces a set of expert networks to decompose the backbone feature into several representative task-generic features. Then, the task-specific features are decoded by using dynamic task-specific gating networks operating on the decomposed task-generic features. Furthermore, to establish long-range modeling of the task-specific representations from different layers of TaskExpert, we design a multi-task feature memory that updates at each layer and acts as an additional feature expert for dynamic task-specific feature decoding. Extensive experiments demonstrate that our TaskExpert clearly outperforms previous best-performing methods on all 9 metrics of two competitive multi-task learning benchmarks for visual scene understanding (i.e., PASCAL-Context and NYUD-v2). Codes and models will be made publicly available at https://github.com/prismformore/Multi-Task-Transformer

Understanding and reasoning on the web-scale scientific literature is a crucial touchstone for large language model (LLM) based agents designed to support complex knowledge-intensive tasks. However, existing works are mainly restricted to tool-free tasks within isolated papers, largely due to the lack of a benchmark for cross-paper reasoning and multi-tool orchestration in real research scenarios. In this work, we propose PaperArena, an evaluation benchmark for agents to address real-world research questions that typically require integrating information across multiple papers with the assistance of external tools. Given a research question, agents should integrate diverse formats across multiple papers through reasoning and interacting with appropriate tools, thereby producing a well-grounded answer. To support standardized evaluation, we provide a modular and extensible platform for agent execution, offering tools such as multimodal parsing, context retrieval, and programmatic computation. Experimental results reveal that even the most advanced LLM powering a well-established agent system achieves merely 38.78% average accuracy. On the hard subset, accuracy drops to only 18.47%, highlighting great potential for improvement. We also present several empirical findings, including that all agents tested exhibit inefficient tool usage, often invoking more tools than necessary to solve a task. We invite the community to adopt PaperArena to develop and evaluate more capable agents for scientific discovery. Our code and data are available https://github.com/Melmaphother/PaperArena.

Recent years have seen a surge in the popularity of commercial AI products based on generative, multi-purpose AI systems promising a unified approach to building machine learning (ML) models into technology. However, this ambition of "generality" comes at a steep cost to the environment, given the amount of energy these systems require and the amount of carbon that they emit. In this work, we propose the first systematic comparison of the ongoing inference cost of various categories of ML systems, covering both task-specific (i.e. finetuned models that carry out a single task) and `general-purpose' models, (i.e. those trained for multiple tasks). We measure deployment cost as the amount of energy and carbon required to perform 1,000 inferences on representative benchmark dataset using these models. We find that multi-purpose, generative architectures are orders of magnitude more expensive than task-specific systems for a variety of tasks, even when controlling for the number of model parameters. We conclude with a discussion around the current trend of deploying multi-purpose generative ML systems, and caution that their utility should be more intentionally weighed against increased costs in terms of energy and emissions. All the data from our study can be accessed via an interactive demo to carry out further exploration and analysis.

Can advanced multi-modal models effectively tackle complex web-based tasks? Such tasks are often found on crowdsourcing platforms, where crowdworkers engage in challenging micro-tasks within web-based environments. Building on this idea, we present TurkingBench, a benchmark consisting of tasks presented as web pages with textual instructions and multi-modal contexts. Unlike previous approaches that rely on artificially synthesized web pages, our benchmark uses natural HTML pages originally designed for crowdsourcing workers to perform various annotation tasks. Each task's HTML instructions are instantiated with different values derived from crowdsourcing tasks, creating diverse instances. This benchmark includes 32.2K instances spread across 158 tasks. To support the evaluation of TurkingBench, we have developed a framework that links chatbot responses to actions on web pages (e.g., modifying a text box, selecting a radio button). We assess the performance of cutting-edge private and open-source models, including language-only and vision-language models (such as GPT4 and InternVL), on this benchmark. Our results show that while these models outperform random chance, there is still significant room for improvement. We hope that this benchmark will drive progress in the evaluation and development of web-based agents.

Single-task models have proven pivotal in solving specific tasks; however, they have limitations in real-world applications where multi-tasking is necessary and domain shifts are exhibited. Recently, instructional prompts have shown significant improvement towards multi-task generalization; however, the effect of instructional prompts and Multi-Task Learning (MTL) has not been systematically studied in the biomedical domain. Motivated by this, this paper explores the impact of instructional prompts for biomedical MTL. We introduce the BoX, a collection of 32 instruction tasks for Biomedical NLP across (X) various categories. Using this meta-dataset, we propose a unified model termed In-BoXBART, that can jointly learn all tasks of the BoX without any task-specific modules. To the best of our knowledge, this is the first attempt to propose a unified model in the biomedical domain and use instructions to achieve generalization across several biomedical tasks. Experimental results indicate that the proposed model: 1) outperforms the single-task baseline by ~3% and multi-task (without instruction) baseline by ~18% on an average, and 2) shows ~23% improvement compared to the single-task baseline in few-shot learning (i.e., 32 instances per task) on an average. Our analysis indicates that there is significant room for improvement across tasks in the BoX, implying the scope for future research direction.

We introduce InternAgent-1.5, a unified system designed for end-to-end scientific discovery across computational and empirical domains. The system is built on a structured architecture composed of three coordinated subsystems for generation, verification, and evolution. These subsystems are supported by foundational capabilities for deep research, solution optimization, and long horizon memory. The architecture allows InternAgent-1.5 to operate continuously across extended discovery cycles while maintaining coherent and improving behavior. It also enables the system to coordinate computational modeling and laboratory experimentation within a single unified system. We evaluate InternAgent-1.5 on scientific reasoning benchmarks such as GAIA, HLE, GPQA, and FrontierScience, and the system achieves leading performance that demonstrates strong foundational capabilities. Beyond these benchmarks, we further assess two categories of discovery tasks. In algorithm discovery tasks, InternAgent-1.5 autonomously designs competitive methods for core machine learning problems. In empirical discovery tasks, it executes complete computational or wet lab experiments and produces scientific findings in earth, life, biological, and physical domains. Overall, these results show that InternAgent-1.5 provides a general and scalable framework for autonomous scientific discovery.

Existing information retrieval (IR) models often assume a homogeneous structure for knowledge sources and user queries, limiting their applicability in real-world settings where retrieval is inherently heterogeneous and diverse. In this paper, we introduce UniHGKR, a unified instruction-aware heterogeneous knowledge retriever that (1) builds a unified retrieval space for heterogeneous knowledge and (2) follows diverse user instructions to retrieve knowledge of specified types. UniHGKR consists of three principal stages: heterogeneous self-supervised pretraining, text-anchored embedding alignment, and instruction-aware retriever fine-tuning, enabling it to generalize across varied retrieval contexts. This framework is highly scalable, with a BERT-based version and a UniHGKR-7B version trained on large language models. Also, we introduce CompMix-IR, the first native heterogeneous knowledge retrieval benchmark. It includes two retrieval scenarios with various instructions, over 9,400 question-answer (QA) pairs, and a corpus of 10 million entries, covering four different types of data. Extensive experiments show that UniHGKR consistently outperforms state-of-the-art methods on CompMix-IR, achieving up to 6.36% and 54.23% relative improvements in two scenarios, respectively. Finally, by equipping our retriever for open-domain heterogeneous QA systems, we achieve a new state-of-the-art result on the popular ConvMix task, with an absolute improvement of up to 4.80 points.

The heterogeneous network is a robust data abstraction that can model entities of different types interacting in various ways. Such heterogeneity brings rich semantic information but presents nontrivial challenges in aggregating the heterogeneous relationships between objects - especially those of higher-order indirect relations. Recent graph neural network approaches for representation learning on heterogeneous networks typically employ the attention mechanism, which is often only optimized for predictions based on direct links. Furthermore, even though most deep learning methods can aggregate higher-order information by building deeper models, such a scheme can diminish the degree of interpretability. To overcome these challenges, we explore an architecture - Layer-stacked ATTention Embedding (LATTE) - that automatically decomposes higher-order meta relations at each layer to extract the relevant heterogeneous neighborhood structures for each node. Additionally, by successively stacking layer representations, the learned node embedding offers a more interpretable aggregation scheme for nodes of different types at different neighborhood ranges. We conducted experiments on several benchmark heterogeneous network datasets. In both transductive and inductive node classification tasks, LATTE can achieve state-of-the-art performance compared to existing approaches, all while offering a lightweight model. With extensive experimental analyses and visualizations, the framework can demonstrate the ability to extract informative insights on heterogeneous networks.

Multimodal visual language models are gaining prominence in open-world applications, driven by advancements in model architectures, training techniques, and high-quality data. However, their performance is often limited by insufficient task-specific data, leading to poor generalization and biased outputs. Existing efforts to increase task diversity in fine-tuning datasets are hindered by the labor-intensive process of manual task labeling, which typically produces only a few hundred task types. To address this, we propose TaskGalaxy, a large-scale multimodal instruction fine-tuning dataset comprising 19,227 hierarchical task types and 413,648 samples. TaskGalaxy utilizes GPT-4o to enrich task diversity by expanding from a small set of manually defined tasks, with CLIP and GPT-4o filtering those that best match open-source images, and generating relevant question-answer pairs. Multiple models are employed to ensure sample quality. This automated process enhances both task diversity and data quality, reducing manual intervention. Incorporating TaskGalaxy into LLaVA-v1.5 and InternVL-Chat-v1.0 models shows substantial performance improvements across 16 benchmarks, demonstrating the critical importance of task diversity. TaskGalaxy is publicly released at https://github.com/Kwai-YuanQi/TaskGalaxy.

We present DRACO (Deep Research Accuracy, Completeness, and Objectivity), a benchmark of complex deep research tasks. These tasks, which span 10 domains and draw on information sources from 40 countries, originate from anonymized real-world usage patterns within a large-scale deep research system. Tasks are sampled from a de-identified dataset of Perplexity Deep Research requests, then filtered and augmented to ensure that the tasks are anonymized, open-ended and complex, objectively evaluable, and representative of the broad scope of real-world deep research use cases. Outputs are graded against task-specific rubrics along four dimensions: factual accuracy (accuracy), breadth and depth of analysis (including completeness), presentation quality (including objectivity), and citation quality. DRACO is publicly available at https://hf.co/datasets/perplexity-ai/draco.

Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often trained for specific tasks and rely on task-specific input-output formats, limiting their applicability to a broader range of tasks. This raises a fundamental question: Can we develop a unified approach to represent and handle different multi-modal tasks to maximize the generalizability of MLLMs? In this paper, we propose UnifiedMLLM, a comprehensive model designed to represent various tasks using a unified representation. Our model exhibits strong capabilities in comprehending the implicit intent of user instructions and preforming reasoning. In addition to generating textual responses, our model also outputs task tokens and grounding tokens, serving as indicators of task types and task granularity. These outputs are subsequently routed through the task router and directed to specific expert models for task completion. To train our model, we construct a task-specific dataset and an 100k multi-task dataset encompassing complex scenarios. Employing a three-stage training strategy, we equip our model with robust reasoning and task processing capabilities while preserving its generalization capacity and knowledge reservoir. Extensive experiments showcase the impressive performance of our unified representation approach across various tasks, surpassing existing methodologies. Furthermore, our approach exhibits exceptional scalability and generality. Our code, model, and dataset will be available at https://github.com/lzw-lzw/UnifiedMLLM.

Recent advancements in large language models (LLMs) have shifted focus toward scaling inference-time compute, improving performance without retraining the model. A common approach is to sample multiple outputs in parallel, and select one of these as the final output. However, work to date has focused on English and a handful of domains such as math and code. In contrast, we are most interested in techniques that generalize across open-ended tasks, formally verifiable tasks, and across languages. In this work, we study how to robustly scale inference-time compute for open-ended generative tasks in a multilingual, multi-task setting. Our findings show that both sampling strategy based on temperature variation and selection strategy must be adapted to account for diverse domains and varied language settings. We evaluate existing selection methods, revealing that strategies effective in English often fail to generalize across languages. We propose novel sampling and selection strategies specifically adapted for multilingual and multi-task inference scenarios, and show they yield notable gains across languages and tasks. In particular, our combined sampling and selection methods lead to an average +6.8 jump in win-rates for our 8B models on m-ArenaHard-v2.0 prompts, against proprietary models such as Gemini. At larger scale, Command-A (111B model) equipped with our methods, shows +9.0 improvement in win-rates on the same benchmark with just five samples against single-sample decoding, a substantial increase at minimal cost. Our results underscore the need for language- and task-aware approaches to inference-time compute, aiming to democratize performance improvements in underrepresented languages.

Federated Learning (FL) represents a paradigm shift in distributed machine learning (ML), enabling clients to train models collaboratively while keeping their raw data private. This paradigm shift from traditional centralized ML introduces challenges due to the non-iid (non-independent and identically distributed) nature of data across clients, significantly impacting FL's performance. Existing literature, predominantly model data heterogeneity by imposing label distribution skew across clients. In this paper, we show that label distribution skew fails to fully capture the real-world data heterogeneity among clients in computer vision tasks beyond classification. Subsequently, we demonstrate that current approaches overestimate FL's performance by relying on label/class distribution skew, exposing an overlooked gap in the literature. By utilizing pre-trained deep neural networks to extract task-specific data embeddings, we define task-specific data heterogeneity through the lens of each vision task and introduce a new level of data heterogeneity called embedding-based data heterogeneity. Our methodology involves clustering data points based on embeddings and distributing them among clients using the Dirichlet distribution. Through extensive experiments, we evaluate the performance of different FL methods under our revamped notion of data heterogeneity, introducing new benchmark performance measures to the literature. We further unveil a series of open research directions that can be pursued.

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific publications that document these workflows are extensive and unstructured. This makes it difficult for both human researchers and AI systems to effectively navigate and explore the space of scientific innovation. To address this issue, we introduce MASSW, a comprehensive text dataset on Multi-Aspect Summarization of Scientific Workflows. MASSW includes more than 152,000 peer-reviewed publications from 17 leading computer science conferences spanning the past 50 years. Using Large Language Models (LLMs), we automatically extract five core aspects from these publications -- context, key idea, method, outcome, and projected impact -- which correspond to five key steps in the research workflow. These structured summaries facilitate a variety of downstream tasks and analyses. The quality of the LLM-extracted summaries is validated by comparing them with human annotations. We demonstrate the utility of MASSW through multiple novel machine-learning tasks that can be benchmarked using this new dataset, which make various types of predictions and recommendations along the scientific workflow. MASSW holds significant potential for researchers to create and benchmark new AI methods for optimizing scientific workflows and fostering scientific innovation in the field. Our dataset is openly available at https://github.com/xingjian-zhang/massw.

Modern scientific research relies on large-scale data, complex workflows, and specialized tools, which existing LLMs and tool-based agents struggle to handle due to limitations in long-horizon planning, robust goal maintenance, and continual learning from execution. To address these issues, in this work, we propose S1-NexusAgent, a self-evolving agent framework designed for multidisciplinary scientific research. S1-NexusAgent adopts a hierarchical Plan-and-CodeAct execution paradigm, decoupling global scientific planning from subtask-level tool execution through a dual-loop architecture, thereby enabling stable modeling of complex research workflows. The system natively supports the Model Context Protocol (MCP), integrates up to thousands of cross-disciplinary scientific tools, and achieves efficient orchestration of heterogeneous research tools via intention-aware dynamic tool retrieval and hot-plug mechanisms. To address long-context and large-scale data challenges in scientific settings, S1-NexusAgent introduces object-reference-based sparse context management, which enables sub-task context isolation and intermediate result compression. Building on this, a Critic Agent automatically evaluates complete execution trajectories and distills high-quality research paths into reusable Scientific Skills, forming a closed loop for continuous self-evolution, which is valuable for sustainable and long-horizon scientific research. Experiments on authoritative scientific benchmarks involving long-horizon planning and complex specialized tool orchestration, including biomini-eval (biology), ChemBench (chemistry), and MatSciBench (material science), demonstrate that S1-NexusAgent achieves state-of-the-art performance, validating its effectiveness and generalization capability in complex scientific tasks.

Designing a single model to address multiple tasks has been a long-standing objective in artificial intelligence. Recently, large language models have demonstrated exceptional capability in solving different tasks within the language domain. However, a unified model for various graph tasks remains underexplored, primarily due to the challenges unique to the graph learning domain. First, graph data from different areas carry distinct attributes and follow different distributions. Such discrepancy makes it hard to represent graphs in a single representation space. Second, tasks on graphs diversify into node, link, and graph tasks, requiring distinct embedding strategies. Finally, an appropriate graph prompting paradigm for in-context learning is unclear. We propose One for All (OFA), the first general framework that can use a single graph model to address the above challenges. Specifically, OFA proposes text-attributed graphs to unify different graph data by describing nodes and edges with natural language and uses language models to encode the diverse and possibly cross-domain text attributes to feature vectors in the same embedding space. Furthermore, OFA introduces the concept of nodes-of-interest to standardize different tasks with a single task representation. For in-context learning on graphs, OFA introduces a novel graph prompting paradigm that appends prompting substructures to the input graph, which enables it to address varied tasks without fine-tuning. We train the OFA model using graph data from multiple domains (including citation networks, molecular graphs, knowledge graphs, etc.) simultaneously and evaluate its ability in supervised, few-shot, and zero-shot learning scenarios. OFA performs well across different tasks, making it the first general-purpose across-domains classification model on graphs.

Current Earth observation foundation models are architecturally rigid, struggle with heterogeneous sensors and are constrained to fixed patch sizes. This limits their deployment in real-world scenarios requiring flexible computeaccuracy trade-offs. We propose THOR, a "computeadaptive" foundation model that solves both input heterogeneity and deployment rigidity. THOR is the first architecture to unify data from Copernicus Sentinel-1, -2, and -3 (OLCI & SLSTR) satellites, processing their native 10 m to 1000 m resolutions in a single model. We pre-train THOR with a novel randomized patch and input image size strategy. This allows a single set of pre-trained weights to be deployed at inference with any patch size, enabling a dynamic trade-off between computational cost and feature resolution without retraining. We pre-train THOR on THOR Pretrain, a new, large-scale multi-sensor dataset and demonstrate state-of-the-art performance on downstream benchmarks, particularly in data-limited regimes like the PANGAEA 10% split, validating that THOR's flexible feature generation excels for diverse climate and society applications.

Task embedding, a meta-learning technique that captures task-specific information, has gained popularity, especially in areas such as multi-task learning, model editing, and interpretability. However, it faces challenges with the emergence of prompt-guided Large Language Models (LLMs) operating in a gradient-free manner. Existing task embedding methods rely on fine-tuned, task-specific language models, which hinders the adaptability of task embeddings across diverse models, especially prompt-based LLMs. To hardness the potential of task embeddings in the era of LLMs, we propose a framework for unified task embeddings (FUTE), harmonizing task embeddings from various models, including smaller language models and LLMs with varied prompts, within a single vector space. Such uniformity enables comparison and analysis of similarities amongst different models, broadening the scope and utility of existing task embedding methods in multi-model scenarios, while maintaining their performance comparable to architecture-specific methods.

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models.

In scientific research, analysis requires accurately interpreting complex multimodal knowledge, integrating evidence from different sources, and drawing inferences grounded in domain-specific knowledge. However, current artificial intelligence (AI) systems struggle to consistently demonstrate such capabilities. The complexity and variability of scientific tables and figures, combined with heterogeneous structures and long-context requirements, pose fundamental obstacles to scientific table \& figure analysis. To quantify these challenges, we introduce AnaBench, a large-scale benchmark featuring 63,178 instances from nine scientific domains, systematically categorized along seven complexity dimensions. To tackle these challenges, we propose Anagent, a multi-agent framework for enhanced scientific table \& figure analysis through four specialized agents: Planner decomposes tasks into actionable subtasks, Expert retrieves task-specific information through targeted tool execution, Solver synthesizes information to generate coherent analysis, and Critic performs iterative refinement through five-dimensional quality assessment. We further develop modular training strategies that leverage supervised finetuning and specialized reinforcement learning to optimize individual capabilities while maintaining effective collaboration. Comprehensive evaluation across 9 broad domains with 170 subdomains demonstrates that Anagent achieves substantial improvements, up to uparrow 13.43% in training-free settings and uparrow 42.12% with finetuning, while revealing that task-oriented reasoning and context-aware problem-solving are essential for high-quality scientific table \& figure analysis. Our project page: https://xhguo7.github.io/Anagent/.

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

Pre-trained models produce strong generic representations that can be adapted via fine-tuning. The learned weight difference relative to the pre-trained model, known as a task vector, characterises the direction and stride of fine-tuning. The significance of task vectors is such that simple arithmetic operations on them can be used to combine diverse representations from different domains. This paper builds on these properties of task vectors and aims to answer (1) whether components of task vectors, particularly parameter blocks, exhibit similar characteristics, and (2) how such blocks can be used to enhance knowledge composition and transfer. To this end, we introduce aTLAS, an algorithm that linearly combines parameter blocks with different learned coefficients, resulting in anisotropic scaling at the task vector level. We show that such linear combinations explicitly exploit the low intrinsic dimensionality of pre-trained models, with only a few coefficients being the learnable parameters. Furthermore, composition of parameter blocks leverages the already learned representations, thereby reducing the dependency on large amounts of data. We demonstrate the effectiveness of our method in task arithmetic, few-shot recognition and test-time adaptation, with supervised or unsupervised objectives. In particular, we show that (1) learned anisotropic scaling allows task vectors to be more disentangled, causing less interference in composition; (2) task vector composition excels with scarce or no labeled data and is less prone to domain shift, thus leading to better generalisability; (3) mixing the most informative parameter blocks across different task vectors prior to training can reduce the memory footprint and improve the flexibility of knowledge transfer. Moreover, we show the potential of aTLAS as a PEFT method, particularly with less data, and demonstrate that its scalibility.

Unified image generation and editing models suffer from severe task interference in dense diffusion transformers architectures, where a shared parameter space must compromise between conflicting objectives (e.g., local editing v.s. subject-driven generation). While the sparse Mixture-of-Experts (MoE) paradigm is a promising solution, its gating networks remain task-agnostic, operating based on local features, unaware of global task intent. This task-agnostic nature prevents meaningful specialization and fails to resolve the underlying task interference. In this paper, we propose a novel framework to inject semantic intent into MoE routing. We introduce a Hierarchical Task Semantic Annotation scheme to create structured task descriptors (e.g., scope, type, preservation). We then design Predictive Alignment Regularization to align internal routing decisions with the task's high-level semantics. This regularization evolves the gating network from a task-agnostic executor to a dispatch center. Our model effectively mitigates task interference, outperforming dense baselines in fidelity and quality, and our analysis shows that experts naturally develop clear and semantically correlated specializations.

Modern federated networks, such as those comprised of wearable devices, mobile phones, or autonomous vehicles, generate massive amounts of data each day. This wealth of data can help to learn models that can improve the user experience on each device. However, the scale and heterogeneity of federated data presents new challenges in research areas such as federated learning, meta-learning, and multi-task learning. As the machine learning community begins to tackle these challenges, we are at a critical time to ensure that developments made in these areas are grounded with realistic benchmarks. To this end, we propose LEAF, a modular benchmarking framework for learning in federated settings. LEAF includes a suite of open-source federated datasets, a rigorous evaluation framework, and a set of reference implementations, all geared towards capturing the obstacles and intricacies of practical federated environments.

The advent of large language models (LLMs) like GPT-4 has catalyzed the exploration of multi-task learning (MTL), in which a single model demonstrates proficiency across diverse tasks. Task arithmetic has emerged as a cost-effective approach for MTL. It enables performance enhancement across multiple tasks by adding their corresponding task vectors to a pre-trained model. However, the current lack of a method that can simultaneously achieve optimal performance, computational efficiency, and data privacy limits their application to LLMs. In this paper, we propose Model Exclusive Task Arithmetic for merging GPT-scale models, which formalizes the objective of model merging into a multi-task learning framework, aiming to minimize the average loss difference between the merged model and each individual task model. Since data privacy limits the use of multi-task training data, we leverage LLMs' local linearity and task vectors' orthogonality to separate the data term and scaling coefficients term and derive a model-exclusive task arithmetic method. Our proposed MetaGPT is data-agnostic and bypasses the heavy search process, making it cost-effective and easy to implement for LLMs.Extensive experiments demonstrate that MetaGPT leads to improvements in task arithmetic and achieves state-of-the-art performance on multiple tasks.

A broad range of NLP tasks involve selecting relevant text spans from given source texts. Despite this shared objective, such content selection tasks have traditionally been studied in isolation, each with its own modeling approaches, datasets, and evaluation metrics. In this work, we propose instruction-guided content selection (IGCS) as a beneficial unified framework for such settings, where the task definition and any instance-specific request are encapsulated as instructions to a language model. To promote this framework, we introduce , the first unified benchmark covering diverse content selection tasks. Further, we create a large generic synthetic dataset that can be leveraged for diverse content selection tasks, and show that transfer learning with these datasets often boosts performance, whether dedicated training for the targeted task is available or not. Finally, we address generic inference time issues that arise in LLM-based modeling of content selection, assess a generic evaluation metric, and overall propose the utility of our resources and methods for future content selection models. Models and datasets available at https://github.com/shmuelamar/igcs.

Experts in various fields routinely perform methodical writing tasks to plan, organize, and report their work. From a clinician writing a differential diagnosis for a patient, to a teacher writing a lesson plan for students, these tasks are pervasive, requiring to methodically generate structured long-form output for a given input. We develop a typology of methodical tasks structured in the form of a task objective, procedure, input, and output, and introduce DoLoMiTes, a novel benchmark with specifications for 519 such tasks elicited from hundreds of experts from across 25 fields. Our benchmark further contains specific instantiations of methodical tasks with concrete input and output examples (1,857 in total) which we obtain by collecting expert revisions of up to 10 model-generated examples of each task. We use these examples to evaluate contemporary language models highlighting that automating methodical tasks is a challenging long-form generation problem, as it requires performing complex inferences, while drawing upon the given context as well as domain knowledge.

Large Language Models (LLMs) have made the ambitious quest for generalist agents significantly far from being a fantasy. A key hurdle for building such general models is the diversity and heterogeneity of tasks and modalities. A promising solution is unification, allowing the support of a myriad of tasks and modalities within one unified framework. While few large models (e.g., Flamingo (Alayrac et al., 2022), trained on massive datasets, can support more than two modalities, current small to mid-scale unified models are still limited to 2 modalities, usually image-text or video-text. The question that we ask is: is it possible to build efficiently a unified model that can support all modalities? To answer this, we propose UnIVAL, a step further towards this ambitious goal. Without relying on fancy datasets sizes or models with billions of parameters, the ~ 0.25B parameter UnIVAL model goes beyond two modalities and unifies text, images, video, and audio into a single model. Our model is efficiently pretrained on many tasks, based on task balancing and multimodal curriculum learning. UnIVAL shows competitive performance to existing state-of-the-art approaches, across image and video-text tasks. The feature representations learned from image and video-text modalities, allows the model to achieve competitive performance when finetuned on audio-text tasks, despite not being pretrained on audio. Thanks to the unified model, we propose a novel study on multimodal model merging via weight interpolation of models trained on different multimodal tasks, showing their benefits in particular for out-of-distribution generalization. Finally, we motivate unification by showing the synergy between tasks. The model weights and code are released here: https://github.com/mshukor/UnIVAL.

We introduce KAPSO, a modular framework for autonomous program synthesis and optimization. Given a natural language goal and an evaluation method, KAPSO iteratively performs ideation, code synthesis and editing, execution, evaluation, and learning to improve a runnable artifact toward measurable objectives. Rather than treating synthesis as the endpoint, KAPSO uses synthesis as an operator within a long-horizon optimization loop, where progress is defined by evaluator outcomes. KAPSO targets long-horizon failures common in coding agents, including lost experimental state, brittle debugging, and weak reuse of domain expertise, by integrating three tightly coupled components. First, a git-native experimentation engine isolates each attempt as a branch, producing reproducible artifacts and preserving provenance across iterations. Second, a knowledge system ingests heterogeneous sources, including repositories, internal playbooks, and curated external resources such as documentation, scientific papers, and web search results, and organizes them into a structured representation that supports retrieval over workflows, implementations, and environment constraints. Third, a cognitive memory layer coordinates retrieval and maintains an episodic store of reusable lessons distilled from experiment traces (run logs, diffs, and evaluator feedback), reducing repeated error modes and accelerating convergence. We evaluated KAPSO on MLE-Bench (Kaggle-style ML competitions) and ALE-Bench (AtCoder heuristic optimization), and report end-to-end performance. Code Available at: https://github.com/Leeroo-AI/kapso

The rapid evolution of scientific fields introduces challenges in organizing and retrieving scientific literature. While expert-curated taxonomies have traditionally addressed this need, the process is time-consuming and expensive. Furthermore, recent automatic taxonomy construction methods either (1) over-rely on a specific corpus, sacrificing generalizability, or (2) depend heavily on the general knowledge of large language models (LLMs) contained within their pre-training datasets, often overlooking the dynamic nature of evolving scientific domains. Additionally, these approaches fail to account for the multi-faceted nature of scientific literature, where a single research paper may contribute to multiple dimensions (e.g., methodology, new tasks, evaluation metrics, benchmarks). To address these gaps, we propose TaxoAdapt, a framework that dynamically adapts an LLM-generated taxonomy to a given corpus across multiple dimensions. TaxoAdapt performs iterative hierarchical classification, expanding both the taxonomy width and depth based on corpus' topical distribution. We demonstrate its state-of-the-art performance across a diverse set of computer science conferences over the years to showcase its ability to structure and capture the evolution of scientific fields. As a multidimensional method, TaxoAdapt generates taxonomies that are 26.51% more granularity-preserving and 50.41% more coherent than the most competitive baselines judged by LLMs.

Data science, which transforms raw data into actionable insights, is critical for data-driven decision-making. However, these tasks are often complex, involving steps for exploring multiple data sources and synthesizing findings to deliver insightful answers. While large language models (LLMs) show significant promise in automating this process, they often struggle with heterogeneous data formats and generate sub-optimal analysis plans, as verifying plan sufficiency is inherently difficult without ground-truth labels for such open-ended tasks. To overcome these limitations, we introduce DS-STAR, a novel data science agent. Specifically, DS-STAR makes three key contributions: (1) a data file analysis module that automatically explores and extracts context from diverse data formats, including unstructured types; (2) a verification step where an LLM-based judge evaluates the sufficiency of the analysis plan at each stage; and (3) a sequential planning mechanism that starts with a simple, executable plan and iteratively refines it based on the DS-STAR's feedback until its sufficiency is verified. This iterative refinement allows DS-STAR to reliably navigate complex analyses involving diverse data sources. Our experiments show that DS-STAR achieves state-of-the-art performance across three challenging benchmarks: DABStep, KramaBench, and DA-Code. Moreover, DS-STAR particularly outperforms baselines on hard tasks that require processing multiple data files with heterogeneous formats.

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

With generative AI advances, the exciting potential for autonomous agents to manage daily tasks via natural language commands has emerged. However, cur rent agents are primarily created and tested in simplified synthetic environments, substantially limiting real-world scenario representation. In this paper, we build an environment for agent command and control that is highly realistic and reproducible. Specifically, we focus on agents that perform tasks on websites, and we create an environment with fully functional websites from four common domains: e-commerce, social forum discussions, collaborative software development, and content management. Our environment is enriched with tools (e.g., a map) and external knowledge bases (e.g., user manuals) to encourage human-like task-solving. Building upon our environment, we release a set of benchmark tasks focusing on evaluating the functional correctness of task completions. The tasks in our benchmark are diverse, long-horizon, and are designed to emulate tasks that humans routinely perform on the internet. We design and implement several autonomous agents, integrating recent techniques such as reasoning before acting. The results demonstrate that solving complex tasks is challenging: our best GPT-4-based agent only achieves an end-to-end task success rate of 10.59%. These results highlight the need for further development of robust agents, that current state-of-the-art LMs are far from perfect performance in these real-life tasks, and that WebArena can be used to measure such progress. Our code, data, environment reproduction resources, and video demonstrations are publicly available at https://webarena.dev/.

We introduce Dynatask: an open source system for setting up custom NLP tasks that aims to greatly lower the technical knowledge and effort required for hosting and evaluating state-of-the-art NLP models, as well as for conducting model in the loop data collection with crowdworkers. Dynatask is integrated with Dynabench, a research platform for rethinking benchmarking in AI that facilitates human and model in the loop data collection and evaluation. To create a task, users only need to write a short task configuration file from which the relevant web interfaces and model hosting infrastructure are automatically generated. The system is available at https://dynabench.org/ and the full library can be found at https://github.com/facebookresearch/dynabench.

Cloud computing is an established technology allowing users to share resources on a large scale, never before seen in IT history. A cloud system connects multiple individual servers in order to process related tasks in several environments at the same time. Clouds are typically more cost-effective than single computers of comparable computing performance. The sheer physical size of the system itself means that thousands of machines may be involved. The focus of this research was to design a strategy to dynamically allocate tasks without overloading Cloud nodes which would result in system stability being maintained at minimum cost. This research has added the following new contributions to the state of knowledge: (i) a novel taxonomy and categorisation of three classes of schedulers, namely OS-level, Cluster and Big Data, which highlight their unique evolution and underline their different objectives; (ii) an abstract model of cloud resources utilisation is specified, including multiple types of resources and consideration of task migration costs; (iii) a virtual machine live migration was experimented with in order to create a formula which estimates the network traffic generated by this process; (iv) a high-fidelity Cloud workload simulator, based on a month-long workload traces from Google's computing cells, was created; (v) two possible approaches to resource management were proposed and examined in the practical part of the manuscript: the centralised metaheuristic load balancer and the decentralised agent-based system. The project involved extensive experiments run on the University of Westminster HPC cluster, and the promising results are presented together with detailed discussions and a conclusion.

Hybrid AI-HPC workflows combine large-scale simulation, training, high-throughput inference, and tightly coupled, agent-driven control within a single execution campaign. These workflows impose heterogeneous and often conflicting requirements on runtime systems, spanning MPI executables, persistent AI services, fine-grained tasks, and low-latency AI-HPC coupling. Existing systems typically address only subsets of these requirements, limiting their ability to support emerging AI-HPC applications at scale. We present RHAPSODY, a multi-runtime middleware that enables concurrent execution of heterogeneous AI-HPC workloads through uniform abstractions for tasks, services, resources, and execution policies. Rather than replacing existing runtimes, RHAPSODY composes and coordinates them, allowing simulation codes, inference services, and agentic workflows to coexist within a single job allocation on leadership-class HPC platforms. We evaluate RHAPSODY with Dragon and vLLM on multiple HPC systems using representative heterogeneous, inference-at-scale, and tightly coupled AI-HPC workflows. Our results show that RHAPSODY introduces minimal runtime overhead, sustains increasing heterogeneity at scale, achieves near-linear scaling for high-throughput inference workloads, and data- and control-efficient coupling between AI and HPC tasks in agentic workflows.

Task Arithmetic has emerged as a simple yet effective method to merge models without additional training. However, by treating entire networks as flat parameter vectors, it overlooks key structural information and is susceptible to task interference. In this paper, we study task vectors at the layer level, focusing on task layer matrices and their singular value decomposition. In particular, we concentrate on the resulting singular vectors, which we refer to as Task Singular Vectors (TSV). Recognizing that layer task matrices are often low-rank, we propose TSV-Compress (TSV-C), a simple procedure that compresses them to 10% of their original size while retaining 99% of accuracy. We further leverage this low-rank space to define a new measure of task interference based on the interaction of singular vectors from different tasks. Building on these findings, we introduce TSV-Merge (TSV-M), a novel model merging approach that combines compression with interference reduction, significantly outperforming existing methods.

Traditionally, theory and practice of Cognitive Control are linked via literature reviews by human domain experts. This approach, however, is inadequate to track the ever-growing literature. It may also be biased, and yield redundancies and confusion. Here we present an alternative approach. We performed automated text analyses on a large body of scientific texts to create a joint representation of tasks and constructs. More specifically, 385,705 scientific abstracts were first mapped into an embedding space using a transformers-based language model. Document embeddings were then used to identify a task-construct graph embedding that grounds constructs on tasks and supports nuanced meaning of the constructs by taking advantage of constrained random walks in the graph. This joint task-construct graph embedding, can be queried to generate task batteries targeting specific constructs, may reveal knowledge gaps in the literature, and inspire new tasks and novel hypotheses.

Long-form writing agents require flexible integration and interaction across information retrieval, reasoning, and composition. Current approaches rely on predetermined workflows and rigid thinking patterns to generate outlines before writing, resulting in constrained adaptability during writing. In this paper we propose a general agent framework that achieves human-like adaptive writing through recursive task decomposition and dynamic integration of three fundamental task types, i.e. retrieval, reasoning, and composition. Our methodology features: 1) a planning mechanism that interleaves recursive task decomposition and execution, eliminating artificial restrictions on writing workflow; and 2) integration of task types that facilitates heterogeneous task decomposition. Evaluations on both fiction writing and technical report generation show that our method consistently outperforms state-of-the-art approaches across all automatic evaluation metrics, which demonstrate the effectiveness and broad applicability of our proposed framework.

Long-range tasks require reasoning over long inputs. Existing solutions either need large compute budgets, training data, access to model weights, or use complex, task-specific approaches. We present PRISM, which alleviates these concerns by processing information as a stream of chunks, maintaining a structured in-context memory specified by a typed hierarchy schema. This approach demonstrates superior performance to baselines on diverse tasks while using at least 4x smaller contexts than long-context models. Moreover, PRISM is token-efficient. By producing short outputs and efficiently leveraging key-value (KV) caches, it achieves up to 54% cost reduction when compared to alternative short-context approaches. The method also scales down to tiny information chunks (e.g., 500 tokens) without increasing the number of tokens encoded or sacrificing quality. Furthermore, we show that it is possible to generate schemas to generalize our approach to new tasks with minimal effort.

Multi-task learning (MTL) encapsulates multiple learned tasks in a single model and often lets those tasks learn better jointly. However, when deploying MTL onto those real-world systems that are often resource-constrained or latency-sensitive, two prominent challenges arise: (i) during training, simultaneously optimizing all tasks is often difficult due to gradient conflicts across tasks; (ii) at inference, current MTL regimes have to activate nearly the entire model even to just execute a single task. Yet most real systems demand only one or two tasks at each moment, and switch between tasks as needed: therefore such all tasks activated inference is also highly inefficient and non-scalable. In this paper, we present a model-accelerator co-design framework to enable efficient on-device MTL. Our framework, dubbed M^3ViT, customizes mixture-of-experts (MoE) layers into a vision transformer (ViT) backbone for MTL, and sparsely activates task-specific experts during training. Then at inference with any task of interest, the same design allows for activating only the task-corresponding sparse expert pathway, instead of the full model. Our new model design is further enhanced by hardware-level innovations, in particular, a novel computation reordering scheme tailored for memory-constrained MTL that achieves zero-overhead switching between tasks and can scale to any number of experts. When executing single-task inference, M^{3}ViT achieves higher accuracies than encoder-focused MTL methods, while significantly reducing 88% inference FLOPs. When implemented on a hardware platform of one Xilinx ZCU104 FPGA, our co-design framework reduces the memory requirement by 2.4 times, while achieving energy efficiency up to 9.23 times higher than a comparable FPGA baseline. Code is available at: https://github.com/VITA-Group/M3ViT.

Merging various task-specific Transformer-based models trained on different tasks into a single unified model can execute all the tasks concurrently. Previous methods, exemplified by task arithmetic, have been proven to be both effective and scalable. Existing methods have primarily focused on seeking a static optimal solution within the original model parameter space. A notable challenge is mitigating the interference between parameters of different models, which can substantially deteriorate performance. In this paper, we propose to merge most of the parameters while upscaling the MLP of the Transformer layers to a weight-ensembling mixture of experts (MoE) module, which can dynamically integrate shared and task-specific knowledge based on the input, thereby providing a more flexible solution that can adapt to the specific needs of each instance. Our key insight is that by identifying and separating shared knowledge and task-specific knowledge, and then dynamically integrating them, we can mitigate the parameter interference problem to a great extent. We conduct the conventional multi-task model merging experiments and evaluate the generalization and robustness of our method. The results demonstrate the effectiveness of our method and provide a comprehensive understanding of our method. The code is available at https://anonymous.4open.science/r/weight-ensembling_MoE-67C9/

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.

International challenges have become the de facto standard for comparative assessment of image analysis algorithms given a specific task. Segmentation is so far the most widely investigated medical image processing task, but the various segmentation challenges have typically been organized in isolation, such that algorithm development was driven by the need to tackle a single specific clinical problem. We hypothesized that a method capable of performing well on multiple tasks will generalize well to a previously unseen task and potentially outperform a custom-designed solution. To investigate the hypothesis, we organized the Medical Segmentation Decathlon (MSD) - a biomedical image analysis challenge, in which algorithms compete in a multitude of both tasks and modalities. The underlying data set was designed to explore the axis of difficulties typically encountered when dealing with medical images, such as small data sets, unbalanced labels, multi-site data and small objects. The MSD challenge confirmed that algorithms with a consistent good performance on a set of tasks preserved their good average performance on a different set of previously unseen tasks. Moreover, by monitoring the MSD winner for two years, we found that this algorithm continued generalizing well to a wide range of other clinical problems, further confirming our hypothesis. Three main conclusions can be drawn from this study: (1) state-of-the-art image segmentation algorithms are mature, accurate, and generalize well when retrained on unseen tasks; (2) consistent algorithmic performance across multiple tasks is a strong surrogate of algorithmic generalizability; (3) the training of accurate AI segmentation models is now commoditized to non AI experts.

Although pre-trained language models~(PLMs) have recently advanced the research progress in mathematical reasoning, they are not specially designed as a capable multi-task solver, suffering from high cost for multi-task deployment (\eg a model copy for a task) and inferior performance on complex mathematical problems in practical applications. To address these issues, in this paper, we propose JiuZhang~2.0, a unified Chinese PLM specially for multi-task mathematical problem solving. Our idea is to maintain a moderate-sized model and employ the cross-task knowledge sharing to improve the model capacity in a multi-task setting. Specially, we construct a Mixture-of-Experts~(MoE) architecture for modeling mathematical text, so as to capture the common mathematical knowledge across tasks. For optimizing the MoE architecture, we design multi-task continual pre-training and multi-task fine-tuning strategies for multi-task adaptation. These training strategies can effectively decompose the knowledge from the task data and establish the cross-task sharing via expert networks. In order to further improve the general capacity of solving different complex tasks, we leverage large language models~(LLMs) as complementary models to iteratively refine the generated solution by our PLM, via in-context learning. Extensive experiments have demonstrated the effectiveness of our model.

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.

Multi-task learning (MTL) has shown effectiveness in exploiting shared information across tasks to improve generalization. MTL assumes tasks share similarities that can improve performance. In addition, boosting algorithms have demonstrated exceptional performance across diverse learning problems, primarily due to their ability to focus on hard-to-learn instances and iteratively reduce residual errors. This makes them a promising approach for learning multi-task problems. However, real-world MTL scenarios often involve tasks that are not well-aligned (known as outlier or adversarial tasks), which do not share beneficial similarities with others and can, in fact, deteriorate the performance of the overall model. To overcome this challenge, we propose Robust-Multi-Task Gradient Boosting (R-MTGB), a novel boosting framework that explicitly models and adapts to task heterogeneity during training. R-MTGB structures the learning process into three sequential blocks: (1) learning shared patterns, (2) partitioning tasks into outliers and non-outliers with regularized parameters, and (3) fine-tuning task-specific predictors. This architecture enables R-MTGB to automatically detect and penalize outlier tasks while promoting effective knowledge transfer among related tasks. Our method integrates these mechanisms seamlessly within gradient boosting, allowing robust handling of noisy or adversarial tasks without sacrificing accuracy. Extensive experiments on both synthetic benchmarks and real-world datasets demonstrate that our approach successfully isolates outliers, transfers knowledge, and consistently reduces prediction errors for each task individually, and achieves overall performance gains across all tasks. These results highlight robustness, adaptability, and reliable convergence of R-MTGB in challenging MTL environments.

While fine-tuning pretrained models has become common practice, these models often underperform outside their specific domains. Recently developed model merging techniques enable the direct integration of multiple models, each fine-tuned for distinct tasks, into a single model. This strategy promotes multitasking capabilities without requiring retraining on the original datasets. However, existing methods fall short in addressing potential conflicts and complex correlations between tasks, especially in parameter-level adjustments, posing a challenge in effectively balancing parameter competition across various tasks. This paper introduces an innovative technique named PCB-Merging (Parameter Competition Balancing), a lightweight and training-free technique that adjusts the coefficients of each parameter for effective model merging. PCB-Merging employs intra-balancing to gauge parameter significance within individual tasks and inter-balancing to assess parameter similarities across different tasks. Parameters with low importance scores are dropped, and the remaining ones are rescaled to form the final merged model. We assessed our approach in diverse merging scenarios, including cross-task, cross-domain, and cross-training configurations, as well as out-of-domain generalization. The experimental results reveal that our approach achieves substantial performance enhancements across multiple modalities, domains, model sizes, number of tasks, fine-tuning forms, and large language models, outperforming existing model merging methods. The code is publicly available at: https://github.com/duguodong7/pcb-merging.

Information overload is a major obstacle to scientific progress. The explosive growth in scientific literature and data has made it ever harder to discover useful insights in a large mass of information. Today scientific knowledge is accessed through search engines, but they are unable to organize scientific knowledge alone. In this paper we introduce Galactica: a large language model that can store, combine and reason about scientific knowledge. We train on a large scientific corpus of papers, reference material, knowledge bases and many other sources. We outperform existing models on a range of scientific tasks. On technical knowledge probes such as LaTeX equations, Galactica outperforms the latest GPT-3 by 68.2% versus 49.0%. Galactica also performs well on reasoning, outperforming Chinchilla on mathematical MMLU by 41.3% to 35.7%, and PaLM 540B on MATH with a score of 20.4% versus 8.8%. It also sets a new state-of-the-art on downstream tasks such as PubMedQA and MedMCQA dev of 77.6% and 52.9%. And despite not being trained on a general corpus, Galactica outperforms BLOOM and OPT-175B on BIG-bench. We believe these results demonstrate the potential for language models as a new interface for science. We open source the model for the benefit of the scientific community.

Smart meter data is the foundation for planning and operating the distribution network. Unfortunately, such data are not always available due to privacy regulations. Meanwhile, the collected data may be corrupted due to sensor or transmission failure, or it may not have sufficient resolution for downstream tasks. A wide range of generative tasks is formulated to address these issues, including synthetic data generation, missing data imputation, and super-resolution. Despite the success of machine learning models on these tasks, dedicated models need to be designed and trained for each task, leading to redundancy and inefficiency. In this paper, by recognizing the powerful modeling capability of flow matching models, we propose a new approach to unify diverse smart meter data generative tasks with a single model trained for conditional generation. The proposed flow matching models are trained to generate challenging, high-dimensional time series data, specifically monthly smart meter data at a 15 min resolution. By viewing different generative tasks as distinct forms of partial data observations and injecting them into the generation process, we unify tasks such as imputation and super-resolution with a single model, eliminating the need for re-training. The data generated by our model not only are consistent with the given observations but also remain realistic, showing better performance against interpolation and other machine learning based baselines dedicated to the tasks.

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in multi-task learning, but they rely on black-box neural networks, resulting in high computational costs and limited interpretability. Leveraging the structure of the learning problem, we argue that multi-environment generalization can be achieved using a simpler learning model, with an affine structure with respect to the learning task. Crucially, we prove that this architecture can identify the physical parameters of the system, enabling interpreable learning. We demonstrate the competitive generalization performance and the low computational cost of our method by comparing it to state-of-the-art algorithms on physical systems, ranging from toy models to complex, non-analytical systems. The interpretability of our method is illustrated with original applications to physical-parameter-induced adaptation and to adaptive control.

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with additional tools and resources. Recent LLM-powered frameworks offer promising solutions for handling complex domain-specific tasks, yet their domain-specific implementation limits broader applicability. This highlights the need for LLM-integrated systems that can assist in cross-disciplinary tasks, such as streamlining the research process across science and engineering disciplines. To address this need, we introduce Artificial Research Innovator Assistant (ARIA), a four-agent, multi-LLM framework. By emulating a team of expert assistants, ARIA systematically replicates the human research workflow to autonomously search, retrieve, and filter hundreds of papers, subsequently synthesizing relevant literature into actionable research procedures. In a case study on dropwise condensation enhancement, ARIA demonstrates its capability to streamline research tasks within an hour, maintaining user oversight during execution and ultimately liberating researchers from time-intensive tasks.

Training dense LLMs requires enormous amounts of data and centralized compute, which introduces fundamental bottlenecks and ever-growing costs for large models. Several studies aim to reduce this dependency on centralization by reducing the communication overhead of training dense models. Taking this idea of reducing communication overhead to a natural extreme, by training embarrassingly parallelizable ensembles of small independent experts, has been shown to outperform large dense models trained in traditional centralized settings. However, existing studies do not take into account underlying differences amongst data domains and treat them as monolithic, regardless of their underlying complexity, size, or distribution. In this paper, we explore the effects of introducing heterogeneity to these ensembles of domain expert models. Specifically, by allowing models within the ensemble to vary in size--as well as the number of training steps taken depending on the training data's domain--we study the effect heterogeneity has on these ensembles when evaluated against domains included in, and excluded from, the training set. We use the same compute budget to train heterogeneous ensembles and homogeneous baselines for comparison. We show that the heterogeneous ensembles achieve the lowest perplexity scores in 20 out of the 21 data domains used in the evaluation. Our code is available at https://github.com/gensyn-ai/hdee.

Neuroimage processing tasks like segmentation, reconstruction, and registration are central to the study of neuroscience. Robust deep learning strategies and architectures used to solve these tasks are often similar. Yet, when presented with a new task or a dataset with different visual characteristics, practitioners most often need to train a new model, or fine-tune an existing one. This is a time-consuming process that poses a substantial barrier for the thousands of neuroscientists and clinical researchers who often lack the resources or machine-learning expertise to train deep learning models. In practice, this leads to a lack of adoption of deep learning, and neuroscience tools being dominated by classical frameworks. We introduce Neuralizer, a single model that generalizes to previously unseen neuroimaging tasks and modalities without the need for re-training or fine-tuning. Tasks do not have to be known a priori, and generalization happens in a single forward pass during inference. The model can solve processing tasks across multiple image modalities, acquisition methods, and datasets, and generalize to tasks and modalities it has not been trained on. Our experiments on coronal slices show that when few annotated subjects are available, our multi-task network outperforms task-specific baselines without training on the task.

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input-output coupling. Tasks in MCP-Bench test agents' ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows - capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectory-level planning, and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench. Code and data: https://github.com/Accenture/mcp-bench.

Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8times reduction in average KV cache size during the search process, leading to 1.4times increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first systematic survey dedicated to exploring how LLMs are revolutionizing the scientific research process. We analyze the unique roles LLMs play across four critical stages of research: hypothesis discovery, experiment planning and implementation, scientific writing, and peer reviewing. Our review comprehensively showcases the task-specific methodologies and evaluation benchmarks. By identifying current challenges and proposing future research directions, this survey not only highlights the transformative potential of LLMs, but also aims to inspire and guide researchers and practitioners in leveraging LLMs to advance scientific inquiry. Resources are available at the following repository: https://github.com/du-nlp-lab/LLM4SR

We propose a new shared task for tactical data-to-text generation in the domain of source code libraries. Specifically, we focus on text generation of function descriptions from example software projects. Data is drawn from existing resources used for studying the related problem of semantic parser induction (Richardson and Kuhn, 2017b; Richardson and Kuhn, 2017a), and spans a wide variety of both natural languages and programming languages. In this paper, we describe these existing resources, which will serve as training and development data for the task, and discuss plans for building new independent test sets.

Multi-task learning (MTL) is an inductive transfer mechanism designed to leverage useful information from multiple tasks to improve generalization performance compared to single-task learning. It has been extensively explored in traditional machine learning to address issues such as data sparsity and overfitting in neural networks. In this work, we apply MTL to problems in science and engineering governed by partial differential equations (PDEs). However, implementing MTL in this context is complex, as it requires task-specific modifications to accommodate various scenarios representing different physical processes. To this end, we present a multi-task deep operator network (MT-DeepONet) to learn solutions across various functional forms of source terms in a PDE and multiple geometries in a single concurrent training session. We introduce modifications in the branch network of the vanilla DeepONet to account for various functional forms of a parameterized coefficient in a PDE. Additionally, we handle parameterized geometries by introducing a binary mask in the branch network and incorporating it into the loss term to improve convergence and generalization to new geometry tasks. Our approach is demonstrated on three benchmark problems: (1) learning different functional forms of the source term in the Fisher equation; (2) learning multiple geometries in a 2D Darcy Flow problem and showcasing better transfer learning capabilities to new geometries; and (3) learning 3D parameterized geometries for a heat transfer problem and demonstrate the ability to predict on new but similar geometries. Our MT-DeepONet framework offers a novel approach to solving PDE problems in engineering and science under a unified umbrella based on synergistic learning that reduces the overall training cost for neural operators.

The application of on-device language models (ODLMs) on resource-constrained edge devices is a multi-dimensional problem that strikes a fine balance between computational effectiveness, memory, power usage, and linguistic capacity across heterogeneous tasks. This holistic study conducts a thorough investigation of the trade-offs between domain-specific optimization and cross-domain robustness, culminating in the proposal of the Generalized Edge Model (GEM), a new architecture that aims to balance specialization and generalization in a harmonious manner. With a rigorous experimental approach testing 47 well-chosen benchmarks in eight domains--healthcare, law, finance, STEM, commonsense, conversational AI, multilingual, and domain-adaptive tasks--we show that conventional optimization techniques decrease target task perplexity by 18-25% but result in a precipitous decline in general-task performance with F1 scores decreasing by 12-29%, as reported by Liu et al. GEM employs a Sparse Cross-Attention Router (SCAR) to dynamically allocate computation to a variable number of computing resources with a cross-domain F1 accuracy of 0.89 on less than 100ms latency across Raspberry Pi 4, Pixel 6, iPhone 13, and bespoke custom neural processing units (NPUs). Compared to GPT-4 Lite, GEM enhances the general-task level by 7% with respect and parity in domain-specific performance. We propose three new measurement tools--Domain Specialization Index (DSI), Generalization Gap (GG), and Cross-Domain Transfer Ratio (CDTR)--which show strong correlation between model compression intensity and brittleness.

Sharing knowledge between information extraction tasks has always been a challenge due to the diverse data formats and task variations. Meanwhile, this divergence leads to information waste and increases difficulties in building complex applications in real scenarios. Recent studies often formulate IE tasks as a triplet extraction problem. However, such a paradigm does not support multi-span and n-ary extraction, leading to weak versatility. To this end, we reorganize IE problems into unified multi-slot tuples and propose a universal framework for various IE tasks, namely Mirror. Specifically, we recast existing IE tasks as a multi-span cyclic graph extraction problem and devise a non-autoregressive graph decoding algorithm to extract all spans in a single step. It is worth noting that this graph structure is incredibly versatile, and it supports not only complex IE tasks, but also machine reading comprehension and classification tasks. We manually construct a corpus containing 57 datasets for model pretraining, and conduct experiments on 30 datasets across 8 downstream tasks. The experimental results demonstrate that our model has decent compatibility and outperforms or reaches competitive performance with SOTA systems under few-shot and zero-shot settings. The code, model weights, and pretraining corpus are available at https://github.com/Spico197/Mirror .

Medical systematic reviews can be very costly and resource intensive. We explore how Large Language Models (LLMs) can support and be trained to perform literature screening when provided with a detailed set of selection criteria. Specifically, we instruction tune LLaMA and Guanaco models to perform abstract screening for medical systematic reviews. Our best model, Bio-SIEVE, outperforms both ChatGPT and trained traditional approaches, and generalises better across medical domains. However, there remains the challenge of adapting the model to safety-first scenarios. We also explore the impact of multi-task training with Bio-SIEVE-Multi, including tasks such as PICO extraction and exclusion reasoning, but find that it is unable to match single-task Bio-SIEVE's performance. We see Bio-SIEVE as an important step towards specialising LLMs for the biomedical systematic review process and explore its future developmental opportunities. We release our models, code and a list of DOIs to reconstruct our dataset for reproducibility.

Multi-document summarization is a challenging task for which there exists little large-scale datasets. We propose Multi-XScience, a large-scale multi-document summarization dataset created from scientific articles. Multi-XScience introduces a challenging multi-document summarization task: writing the related-work section of a paper based on its abstract and the articles it references. Our work is inspired by extreme summarization, a dataset construction protocol that favours abstractive modeling approaches. Descriptive statistics and empirical results---using several state-of-the-art models trained on the Multi-XScience dataset---reveal that Multi-XScience is well suited for abstractive models.

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.