Daily Papers

The advent of automation in particular Software Engineering (SE) tasks has transitioned from theory to reality. Numerous scholarly articles have documented the successful application of Artificial Intelligence to address issues in areas such as project management, modeling, testing, and development. A recent innovation is the introduction of ChatGPT, an ML-infused chatbot, touted as a resource proficient in generating programming codes and formulating software testing strategies for developers and testers respectively. Although there is speculation that AI-based computation can increase productivity and even substitute software engineers in software development, there is currently a lack of empirical evidence to verify this. Moreover, despite the primary focus on enhancing the accuracy of AI systems, non-functional requirements including energy efficiency, vulnerability, fairness (i.e., human bias), and safety frequently receive insufficient attention. This paper posits that a comprehensive comparison of software engineers and AI-based solutions, considering various evaluation criteria, is pivotal in fostering human-machine collaboration, enhancing the reliability of AI-based methods, and understanding task suitability for humans or AI. Furthermore, it facilitates the effective implementation of cooperative work structures and human-in-the-loop processes. This paper conducts an empirical investigation, contrasting the performance of software engineers and AI systems, like ChatGPT, across different evaluation metrics. The empirical study includes a case of assessing ChatGPT-generated code versus code produced by developers and uploaded in Leetcode.

For fair academic recruitment at universities and research institutions, determination of the right measure based on globally accepted academic quality features is a highly delicate, challenging, but quite important problem to be addressed. In a series of two papers, we consider the modeling part for academic quality quantification in the first paper, in this paper, and the case studies part in the second paper. For academic quality quantification modeling, we develop two computational frameworks which can be used to construct a decision-support tool: (i) an optimization-based framework and (ii) a Siamese network (a type of artificial neural network)-based framework. The output of both models is a single index called Academic Quality Index (AQI) which is a measure of the overall academic quality. The data of academics from first-class and average-class world universities, based on Times Higher Education World University Rankings and QS World University Rankings, are assumed as the reference data for tuning model parameters.

While generative AI is now widespread and useful in society, there are potential risks of misuse, e.g., unconsciously influencing cognitive processes or decision-making. Although this causes a security problem in the cognitive domain, there has been no research about neural and computational mechanisms counteracting the impact of malicious generative AI in humans. We propose DecNefGAN, a novel framework that combines a generative adversarial system and a neural reinforcement model. More specifically, DecNefGAN bridges human and generative AI in a closed-loop system, with the AI creating stimuli that induce specific mental states, thus exerting external control over neural activity. The objective of the human is the opposite, to compete and reach an orthogonal mental state. This framework can contribute to elucidating how the human brain responds to and counteracts the potential influence of generative AI.

Transcranial focused ultrasound (tFUS) is an emerging modality for non-invasive brain stimulation and therapeutic intervention, offering millimeter-scale spatial precision and the ability to target deep brain structures. However, the heterogeneous and anisotropic nature of the human skull introduces significant distortions to the propagating ultrasound wavefront, which require time-consuming patient-specific planning and corrections using numerical solvers for accurate targeting. To enable data-driven approaches in this domain, we introduce TFUScapes, the first large-scale, high-resolution dataset of tFUS simulations through anatomically realistic human skulls derived from T1-weighted MRI images. We have developed a scalable simulation engine pipeline using the k-Wave pseudo-spectral solver, where each simulation returns a steady-state pressure field generated by a focused ultrasound transducer placed at realistic scalp locations. In addition to the dataset, we present DeepTFUS, a deep learning model that estimates normalized pressure fields directly from input 3D CT volumes and transducer position. The model extends a U-Net backbone with transducer-aware conditioning, incorporating Fourier-encoded position embeddings and MLP layers to create global transducer embeddings. These embeddings are fused with U-Net encoder features via feature-wise modulation, dynamic convolutions, and cross-attention mechanisms. The model is trained using a combination of spatially weighted and gradient-sensitive loss functions, enabling it to approximate high-fidelity wavefields. The TFUScapes dataset is publicly released to accelerate research at the intersection of computational acoustics, neurotechnology, and deep learning. The project page is available at https://github.com/CAMMA-public/TFUScapes.

In this paper, we present a computational analysis of the Persian language Twitter discourse with the aim to estimate the shift in stance toward gender equality following the death of Mahsa Amini in police custody. We present an ensemble active learning pipeline to train a stance classifier. Our novelty lies in the involvement of Iranian women in an active role as annotators in building this AI system. Our annotators not only provide labels, but they also suggest valuable keywords for more meaningful corpus creation as well as provide short example documents for a guided sampling step. Our analyses indicate that Mahsa Amini's death triggered polarized Persian language discourse where both fractions of negative and positive tweets toward gender equality increased. The increase in positive tweets was slightly greater than the increase in negative tweets. We also observe that with respect to account creation time, between the state-aligned Twitter accounts and pro-protest Twitter accounts, pro-protest accounts are more similar to baseline Persian Twitter activity.

The next generation of AI applications will continuously interact with the environment and learn from these interactions. These applications impose new and demanding systems requirements, both in terms of performance and flexibility. In this paper, we consider these requirements and present Ray---a distributed system to address them. Ray implements a unified interface that can express both task-parallel and actor-based computations, supported by a single dynamic execution engine. To meet the performance requirements, Ray employs a distributed scheduler and a distributed and fault-tolerant store to manage the system's control state. In our experiments, we demonstrate scaling beyond 1.8 million tasks per second and better performance than existing specialized systems for several challenging reinforcement learning applications.

Sea ice is governed by highly complex, scale-invariant, and anisotropic processes that are challenging to represent in Earth system models. While advanced numerical models have improved our understanding of the sea-ice dynamics, their computational costs often limit their application in ensemble forecasting and climate simulations. Here, we introduce GenSIM, the first generative AI-based pan-Arctic model that predicts the evolution of all relevant key properties, including concentration, thickness, and drift, in a 12-hour window with improved accuracy over deterministic predictions and high computational efficiency, while remaining physically consistent. Trained on a long simulation from a state-of-the-art sea-ice--ocean system, GenSIM robustly reproduces statistics as observed in numerical models and observations, exhibiting brittle-like short-term dynamics while also depicting the long-term sea-ice decline. Driven solely by atmospheric forcings, we attribute GenSIM's emergent extrapolation capabilities to patterns that reflect the long-term impact of the ocean: it seemingly has learned an internal ocean emulator. This ability to infer slowly evolving climate-relevant dynamics from short-term predictions underlines the large potential of generative models to generalise for unseen climates and to encode hidden physics.

Automation systems that can autonomously drive application user interfaces to complete user tasks are of great benefit, especially when users are situationally or permanently impaired. Prior automation systems do not produce generalizable models while AI-based automation agents work reliably only in simple, hand-crafted applications or incur high computation costs. We propose UINav, a demonstration-based approach to train automation agents that fit mobile devices, yet achieving high success rates with modest numbers of demonstrations. To reduce the demonstration overhead, UINav uses a referee model that provides users with immediate feedback on tasks where the agent fails, and automatically augments human demonstrations to increase diversity in training data. Our evaluation shows that with only 10 demonstrations UINav can achieve 70% accuracy, and that with enough demonstrations it can surpass 90% accuracy.

Current large language model (LLM) agents lack authentic human psychological processes necessary for genuine digital twins and social AI applications. To address this limitation, we present a computational implementation of Global Workspace Theory (GNWT) that integrates human cognitive architecture principles into LLM agents, creating specialized sub-agents for emotion, memory, social norms, planning, and goal-tracking coordinated through a global workspace mechanism. However, authentic digital twins require accurate personality initialization. We therefore develop a novel adventure-based personality test that evaluates true personality through behavioral choices within interactive scenarios, bypassing self-presentation bias found in traditional assessments. Building on these innovations, our CogniPair platform enables digital twins to engage in realistic simulated dating interactions and job interviews before real encounters, providing bidirectional cultural fit assessment for both romantic compatibility and workplace matching. Validation using 551 GNWT-Agents and Columbia University Speed Dating dataset demonstrates 72% correlation with human attraction patterns, 77.8% match prediction accuracy, and 74% agreement in human validation studies. This work advances psychological authenticity in LLM agents and establishes a foundation for intelligent dating platforms and HR technology solutions.

Building AI models with trustworthiness is important especially in regulated areas such as healthcare. In tackling COVID-19, previous work uses convolutional neural networks as the backbone architecture, which has shown to be prone to over-caution and overconfidence in making decisions, rendering them less trustworthy -- a crucial flaw in the context of medical imaging. In this study, we propose a feature learning approach using Vision Transformers, which use an attention-based mechanism, and examine the representation learning capability of Transformers as a new backbone architecture for medical imaging. Through the task of classifying COVID-19 chest radiographs, we investigate into whether generalization capabilities benefit solely from Vision Transformers' architectural advances. Quantitative and qualitative evaluations are conducted on the trustworthiness of the models, through the use of "trust score" computation and a visual explainability technique. We conclude that the attention-based feature learning approach is promising in building trustworthy deep learning models for healthcare.

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first principles results, leaving experimental literature underexploited. We present an agentic, large language model (LLM)-driven workflow that autonomously extracts thermoelectric and structural-properties from about 10,000 full-text scientific articles. The pipeline integrates dynamic token allocation, zeroshot multi-agent extraction, and conditional table parsing to balance accuracy against computational cost. Benchmarking on 50 curated papers shows that GPT-4.1 achieves the highest accuracy (F1 = 0.91 for thermoelectric properties and 0.82 for structural fields), while GPT-4.1 Mini delivers nearly comparable performance (F1 = 0.89 and 0.81) at a fraction of the cost, enabling practical large scale deployment. Applying this workflow, we curated 27,822 temperature resolved property records with normalized units, spanning figure of merit (ZT), Seebeck coefficient, conductivity, resistivity, power factor, and thermal conductivity, together with structural attributes such as crystal class, space group, and doping strategy. Dataset analysis reproduces known thermoelectric trends, such as the superior performance of alloys over oxides and the advantage of p-type doping, while also surfacing broader structure-property correlations. To facilitate community access, we release an interactive web explorer with semantic filters, numeric queries, and CSV export. This study delivers the largest LLM-curated thermoelectric dataset to date, provides a reproducible and cost-profiled extraction pipeline, and establishes a foundation for scalable, data-driven materials discovery beyond thermoelectrics.

The field of artificial intelligence has seen explosive growth and exponential success. The last phase of development showcased deep learnings ability to solve a variety of difficult problems across a multitude of domains. Many of these networks met and exceeded human benchmarks by becoming experts in the domains in which they are trained. Though the successes of artificial intelligence have begun to overshadow its failures, there is still much that separates current artificial intelligence tools from becoming the exceptional general learners that humans are. In this paper, we identify the ten commandments upon which human intelligence is systematically and hierarchically built. We believe these commandments work collectively to serve as the essential ingredients that lead to the emergence of higher-order cognition and intelligence. This paper discusses a computational framework that could house these ten commandments and suggests new architectural modifications that could lead to the development of smarter, more explainable, and generalizable artificial systems inspired by a neuromorphic approach.

Agent Based Models (ABMs) have emerged as a powerful tool for investigating complex social interactions, particularly in the context of public health and infectious disease investigation. In an effort to enhance the conventional ABM, enabling automated model calibration and reducing the computational resources needed for scaling up the model, we have developed a tensorized and differentiable agent-based model by coupling Graph Neural Network (GNN) and Long Short-Term Memory (LSTM) network. The model was employed to investigate the 2019 measles outbreak occurred in New Zealand, demonstrating a promising ability to accurately simulate the outbreak dynamics, particularly during the peak period of repeated cases. This paper shows that by leveraging the latest Artificial Intelligence (AI) technology and the capabilities of traditional ABMs, we gain deeper insights into the dynamics of infectious disease outbreaks. This, in turn, helps us make more informed decision when developing effective strategies that strike a balance between managing outbreaks and minimizing disruptions to everyday life.

Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research. Existing benchmarks for measuring this potential and guiding future development continue to evolve from pure recall and rote knowledge tasks, towards more practical work such as literature review and experimental planning. Bioinformatics is a domain where fully autonomous AI-driven discovery may be near, but no extensive benchmarks for measuring progress have been introduced to date. We therefore present the Bioinformatics Benchmark (BixBench), a dataset comprising over 50 real-world scenarios of practical biological data analysis with nearly 300 associated open-answer questions designed to measure the ability of LLM-based agents to explore biological datasets, perform long, multi-step analytical trajectories, and interpret the nuanced results of those analyses. We evaluate the performance of two frontier LLMs (GPT-4o and Claude 3.5 Sonnet) using a custom agent framework we open source. We find that even the latest frontier models only achieve 17% accuracy in the open-answer regime, and no better than random in a multiple-choice setting. By exposing the current limitations of frontier models, we hope BixBench can spur the development of agents capable of conducting rigorous bioinformatic analysis and accelerate scientific discovery.

Facing the current debate on whether Large Language Models (LLMs) attain near-human intelligence levels (Mitchell & Krakauer, 2023; Bubeck et al., 2023; Kosinski, 2023; Shiffrin & Mitchell, 2023; Ullman, 2023), the current study introduces a benchmark for evaluating social intelligence, one of the most distinctive aspects of human cognition. We developed a comprehensive theoretical framework for social dynamics and introduced two evaluation tasks: Inverse Reasoning (IR) and Inverse Inverse Planning (IIP). Our approach also encompassed a computational model based on recursive Bayesian inference, adept at elucidating diverse human behavioral patterns. Extensive experiments and detailed analyses revealed that humans surpassed the latest GPT models in overall performance, zero-shot learning, one-shot generalization, and adaptability to multi-modalities. Notably, GPT models demonstrated social intelligence only at the most basic order (order = 0), in stark contrast to human social intelligence (order >= 2). Further examination indicated a propensity of LLMs to rely on pattern recognition for shortcuts, casting doubt on their possession of authentic human-level social intelligence. Our codes, dataset, appendix and human data are released at https://github.com/bigai-ai/Evaluate-n-Model-Social-Intelligence.

AI and reinforcement learning (RL) have improved many areas, but are not yet widely adopted in economic policy design, mechanism design, or economics at large. At the same time, current economic methodology is limited by a lack of counterfactual data, simplistic behavioral models, and limited opportunities to experiment with policies and evaluate behavioral responses. Here we show that machine-learning-based economic simulation is a powerful policy and mechanism design framework to overcome these limitations. The AI Economist is a two-level, deep RL framework that trains both agents and a social planner who co-adapt, providing a tractable solution to the highly unstable and novel two-level RL challenge. From a simple specification of an economy, we learn rational agent behaviors that adapt to learned planner policies and vice versa. We demonstrate the efficacy of the AI Economist on the problem of optimal taxation. In simple one-step economies, the AI Economist recovers the optimal tax policy of economic theory. In complex, dynamic economies, the AI Economist substantially improves both utilitarian social welfare and the trade-off between equality and productivity over baselines. It does so despite emergent tax-gaming strategies, while accounting for agent interactions and behavioral change more accurately than economic theory. These results demonstrate for the first time that two-level, deep RL can be used for understanding and as a complement to theory for economic design, unlocking a new computational learning-based approach to understanding economic policy.

AI-generated text is proliferating across domains, from creative writing and journalism to marketing content and scientific articles. Models can follow user-provided instructions to generate coherent and grammatically correct outputs but in this work, we study a more fundamental question: how do we evaluate and improve the writing quality of AI-generated text? Writing quality assessment has received less attention from the community, in part because it is fundamentally subjective and requires expertise. We first introduce the Writing Quality Benchmark (WQ) by consolidating five writing-preference datasets into 4,729 writing quality judgments. Our experiments show that most of the competitive baselines, including state-of-the-art LLMs that excel at reasoning tasks, barely outperform random baselines on WQ. We then train specialized Writing Quality Reward Models (WQRM) of various sizes for writing quality assessment that demonstrate strong generalization on four out-of-distribution test sets and 74% accuracy on the WQ benchmark. To further show WQRM's practical benefits during inference, we leverage additional test-time compute to generate and rank multiple candidate revisions, allowing us to select higher-quality outputs from an initial draft. Human evaluation with 9 experienced writers confirm that WQRM-based selection produces writing samples preferred by experts 66% overall, and 72.2% when the reward gap is larger than 1 point. We release our datasets and models to encourage community engagement with writing quality assessment and development of AI writing systems better aligned with human preferences.

Modern natural language processing models have achieved unprecedented scale, yet the tools for their evaluation often remain a computational bottleneck, limiting the pace of research. This is particularly acute for in-training evaluation metrics, such as per-sentence reward signals in Reinforcement Learning, which must operate efficiently on batches of token IDs directly on the GPU. In this paper, we introduce TensorBLEU, a novel implementation of the BLEU metric designed from the ground up for this specific use case. Our approach is fully vectorized for GPU-accelerated, per-sentence computation within PyTorch and introduces a memory-efficient counting mechanism. By creating a compact, batch-specific dictionary of n-grams using torch.unique, our method avoids the prohibitive memory costs of traditional hashing-based vectorization, making it practical for large-vocabulary models. We benchmark TensorBLEU against NLTK, the standard library for token-ID-based BLEU calculation on the CPU. Experiments show that TensorBLEU provides speedups of over 13x on consumer-grade GPUs (NVIDIA T4) and exceeding 40x on data-center-class hardware (NVIDIA A100). This performance transforms a significant bottleneck into a negligible part of the training loop. By clearly defining its role as a "Token-ID BLEU" for development purposes and open-sourcing our implementation, we provide a powerful tool for accelerating research in areas like RL-based model fine-tuning.

The Transformer architecture, underpinned by the Multi-Head Attention (MHA) mechanism, has become the de facto standard for state-of-the-art models in artificial intelligence. However, the quadratic computational complexity of MHA with respect to sequence length presents a significant barrier to scaling, particularly for applications involving long contexts. Prevailing solutions, such as Multi-Query Attention (MQA) and Grouped-Query Attention (GQA), have effectively addressed the memory bandwidth bottleneck that dominates autoregressive inference latency by sharing Key and Value projections. While highly successful, these methods do not reduce the fundamental number of floating-point operations (FLOPs) required for the attention score computation, which remains a critical bottleneck for training and full-sequence processing. This paper introduces Sparse Query Attention (SQA), a novel attention architecture that pursues an alternative and complementary optimization path. Instead of reducing Key/Value heads, SQA reduces the number of Query heads. This architectural modification directly decreases the computational complexity of the attention mechanism by a factor proportional to the reduction in query heads, thereby lowering the overall FLOPs. This work presents the theoretical foundation of SQA, its mathematical formulation, and a family of architectural variants. Empirical benchmarks on long sequences (32k-200k tokens) demonstrate that SQA can achieve significant throughput improvements of up to 3x in computation-bound scenarios such as model pre-training, fine-tuning, and encoder-based tasks, with only a minimal impact on model quality in preliminary smallscale experiments. SQA was discovered serendipitously during the development of the upcoming Reactive Transformer architecture, suggesting its potential as a powerful tool for building more efficient and scalable models

Deep learning models have shown promise in histopathology image analysis, but their opaque decision-making process poses challenges in high-risk medical scenarios. Here we introduce HIPPO, an explainable AI method that interrogates attention-based multiple instance learning (ABMIL) models in computational pathology by generating counterfactual examples through tissue patch modifications in whole slide images. Applying HIPPO to ABMIL models trained to detect breast cancer metastasis reveals that they may overlook small tumors and can be misled by non-tumor tissue, while attention mapsx2014widely used for interpretationx2014often highlight regions that do not directly influence predictions. By interpreting ABMIL models trained on a prognostic prediction task, HIPPO identified tissue areas with stronger prognostic effects than high-attention regions, which sometimes showed counterintuitive influences on risk scores. These findings demonstrate HIPPO's capacity for comprehensive model evaluation, bias detection, and quantitative hypothesis testing. HIPPO greatly expands the capabilities of explainable AI tools to assess the trustworthy and reliable development, deployment, and regulation of weakly-supervised models in computational pathology.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

AI has become pervasive in recent years, but state-of-the-art approaches predominantly neglect the need for AI systems to be contestable. Instead, contestability is advocated by AI guidelines (e.g. by the OECD) and regulation of automated decision-making (e.g. GDPR). In this position paper we explore how contestability can be achieved computationally in and for AI. We argue that contestable AI requires dynamic (human-machine and/or machine-machine) explainability and decision-making processes, whereby machines can (i) interact with humans and/or other machines to progressively explain their outputs and/or their reasoning as well as assess grounds for contestation provided by these humans and/or other machines, and (ii) revise their decision-making processes to redress any issues successfully raised during contestation. Given that much of the current AI landscape is tailored to static AIs, the need to accommodate contestability will require a radical rethinking, that, we argue, computational argumentation is ideally suited to support.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Effective scientific communication depends on accurate citations that validate sources and guide readers to supporting evidence. Yet academic literature faces mounting challenges: semantic citation errors that misrepresent sources, AI-generated hallucinated references, and traditional citation formats that point to entire papers without indicating which sections substantiate specific claims. We introduce SemanticCite, an AI-powered system that verifies citation accuracy through full-text source analysis while providing rich contextual information via detailed reasoning and relevant text snippets. Our approach combines multiple retrieval methods with a four-class classification system (Supported, Partially Supported, Unsupported, Uncertain) that captures nuanced claim-source relationships and enables appropriate remedial actions for different error types. Our experiments show that fine-tuned lightweight language models achieve performance comparable to large commercial systems with significantly lower computational requirements, making large-scale citation verification practically feasible. The system provides transparent, evidence-based explanations that support user understanding and trust. We contribute a comprehensive dataset of over 1,000 citations with detailed alignments, functional classifications, semantic annotations, and bibliometric metadata across eight disciplines, alongside fine-tuned models and the complete verification framework as open-source software. SemanticCite addresses critical challenges in research integrity through scalable citation verification, streamlined peer review, and quality control for AI-generated content, providing an open-source foundation for maintaining citation accuracy at scale.

This paper aims to introduce and analyze the Viz system in a comprehensive way, a novel system architecture that integrates Quantized Low-Rank Adapters (QLoRA) to fine-tune large language models (LLM) within a legally compliant and resource efficient marketplace. Viz represents a significant contribution to the field of artificial intelligence, particularly in addressing the challenges of computational efficiency, legal compliance, and economic sustainability in the utilization and monetization of LLMs. The paper delineates the scholarly discourse and developments that have informed the creation of Viz, focusing primarily on the advancements in LLM models, copyright issues in AI training (NYT case, 2023), and the evolution of model fine-tuning techniques, particularly low-rank adapters and quantized low-rank adapters, to create a sustainable and economically compliant framework for LLM utilization. The economic model it proposes benefits content creators, AI developers, and end-users, delineating a harmonious integration of technology, economy, and law, offering a comprehensive solution to the complex challenges of today's AI landscape.

We present OneFlow, the first non-autoregressive multimodal model that enables variable-length and concurrent mixed-modal generation. Unlike autoregressive models that enforce rigid causal ordering between text and image generation, OneFlow combines an insertion-based Edit Flow for discrete text tokens with Flow Matching for image latents. OneFlow enables concurrent text-image synthesis with hierarchical sampling that prioritizes content over grammar. Through controlled experiments across model sizes from 1B to 8B, we demonstrate that OneFlow outperforms autoregressive baselines on both generation and understanding tasks while using up to 50% fewer training FLOPs. OneFlow surpasses both autoregressive and diffusion-based approaches while unlocking new capabilities for concurrent generation, iterative refinement, and natural reasoning-like generation.

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we take a step forward by enabling models to collaborate directly within the continuous latent space. We introduce LatentMAS, an end-to-end training-free framework that enables pure latent collaboration among LLM agents. In LatentMAS, each agent first performs auto-regressive latent thoughts generation through last-layer hidden embeddings. A shared latent working memory then preserves and transfers each agent's internal representations, ensuring lossless information exchange. We provide theoretical analyses establishing that LatentMAS attains higher expressiveness and lossless information preservation with substantially lower complexity than vanilla text-based MAS. In addition, empirical evaluations across 9 comprehensive benchmarks spanning math and science reasoning, commonsense understanding, and code generation show that LatentMAS consistently outperforms strong single-model and text-based MAS baselines, achieving up to 14.6% higher accuracy, reducing output token usage by 70.8%-83.7%, and providing 4x-4.3x faster end-to-end inference. These results demonstrate that our new latent collaboration framework enhances system-level reasoning quality while offering substantial efficiency gains without any additional training. Code and data are fully open-sourced at https://github.com/Gen-Verse/LatentMAS.

The rapid advancement of ML models in critical sectors such as healthcare, finance, and security has intensified the need for robust data security, model integrity, and reliable outputs. Large multimodal foundational models, while crucial for complex tasks, present challenges in scalability, reliability, and potential misuse. Decentralized systems offer a solution by distributing workload and mitigating central points of failure, but they introduce risks of unauthorized access to sensitive data across nodes. We address these challenges with a comprehensive framework designed for responsible AI development. Our approach incorporates: 1) Zero-knowledge proofs for secure model verification, enhancing trust without compromising privacy. 2) Consensus-based verification checks to ensure consistent outputs across nodes, mitigating hallucinations and maintaining model integrity. 3) Split Learning techniques that segment models across different nodes, preserving data privacy by preventing full data access at any point. 4) Hardware-based security through trusted execution environments (TEEs) to protect data and computations. This framework aims to enhance security and privacy and improve the reliability and fairness of multimodal AI systems. Promoting efficient resource utilization contributes to more sustainable AI development. Our state-of-the-art proofs and principles demonstrate the framework's effectiveness in responsibly democratizing artificial intelligence, offering a promising approach for building secure and private foundational models.

The rapid growth of deep learning has driven exponential increases in model parameters and computational demands. NVIDIA GPUs and their CUDA-based software ecosystem provide robust support for parallel computing, significantly alleviating computational bottlenecks. Meanwhile, due to the cultivation of user programming habits and the high performance of GPUs, the CUDA ecosystem has established a dominant position in the field of parallel software. This dominance requires other hardware platforms to support CUDA-based software with performance portability. However, translating CUDA code to other platforms poses significant challenges due to differences in parallel programming paradigms and hardware architectures. Existing approaches rely on language extensions, domain-specific languages (DSLs), or compilers but face limitations in workload coverage and generalizability. Moreover, these methods often incur substantial development costs. Recently, LLMs have demonstrated extraordinary potential in various vertical domains, especially in code-related tasks. However, the performance of existing LLMs in CUDA transpilation, particularly for high-performance code, remains suboptimal. To address these challenges, we propose a novel framework for generating high-performance CUDA and corresponding platform code pairs, leveraging AI compiler and automatic optimization technology. We further enhance the framework with a graph-based data augmentation method and introduce HPCTransEval, a benchmark for evaluating LLM performance on CUDA transpilation. We conduct experiments using CUDA-to-CPU transpilation as a case study on leading LLMs. The speedup ratio of the CPU operators has an average improvemnet of 43.8\%, highlighting the potential of LLMs to address compatibility challenges within the CUDA ecosystem. Our code is available at https://github.com/PJLAB-CHIP/HPCTransCompile.

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein Language Models (PLMs) capture evolutionary statistics but lack explicit physical grounding, while generative models trained to model full ensembles are computationally expensive. In this work we critically assess these limits and propose a path forward. We introduce GeoGraph, a simulation-informed surrogate trained to predict ensemble-averaged statistics of residue-residue contact-map topology directly from sequence. By featurizing coarse-grained molecular dynamics simulations into residue- and sequence-level graph descriptors, we create a robust and information-rich learning target. Our evaluation demonstrates that this approach yields representations that are more predictive of key biophysical properties than existing methods.

Fine-tuning is the most effective way of adapting pre-trained large language models (LLMs) to downstream applications. With the fast growth of LLM-enabled AI applications and democratization of open-souced LLMs, fine-tuning has become possible for non-expert individuals, but intensively performed LLM fine-tuning worldwide could result in significantly high energy consumption and carbon footprint, which may bring large environmental impact. Mitigating such environmental impact towards Green AI directly correlates to reducing the FLOPs of fine-tuning, but existing techniques on efficient LLM fine-tuning can only achieve limited reduction of such FLOPs, due to their ignorance of the backpropagation cost in fine-tuning. To address this limitation, in this paper we present GreenTrainer, a new LLM fine-tuning technique that adaptively evaluates different tensors' backpropagation costs and contributions to the fine-tuned model accuracy, to minimize the fine-tuning cost by selecting the most appropriate set of tensors in training. Such selection in GreenTrainer is made based on a given objective of FLOPs reduction, which can flexibly adapt to the carbon footprint in energy supply and the need in Green AI. Experiment results over multiple open-sourced LLM models and abstractive summarization datasets show that, compared to fine-tuning the whole LLM model, GreenTrainer can save up to 64% FLOPs in fine-tuning without any noticeable model accuracy loss. Compared to the existing fine-tuning techniques such as LoRa, GreenTrainer can achieve up to 4% improvement on model accuracy with on-par FLOPs reduction.

Large language models (LLMs) have revolutionized AI applications, yet their high computational and memory demands hinder their widespread deployment. Existing compression techniques focus on intra-block optimizations (e.g. low-rank approximation, attention head pruning), while the repetitive layered structure of transformers implies significant inter-block redundancy - a dimension largely unexplored beyond key-value (KV) caching. Inspired by dictionary learning in CNNs, we propose a framework for structured weight sharing across transformer layers. Our approach decomposes attention projection matrices into shared dictionary atoms, reducing the attention module's parameters by 66.7% while achieving on-par performance. Unlike complex methods requiring distillation or architectural changes, MASA (Matrix Atom Sharing in Attention) operates as a drop-in replacement - trained with standard optimizers - and represents each layer's weights as linear combinations of shared matrix atoms. Experiments across scales (100M-700M parameters) show that MASA achieves better benchmark accuracy and perplexity than grouped-query attention (GQA), low-rank baselines and recently proposed Repeat-all-over/Sequential sharing at comparable parameter budgets. Ablation studies confirm robustness to the dictionary size and the efficacy of shared representations in capturing cross-layer statistical regularities. Extending to Vision Transformers (ViT), MASA matches performance metrics on image classification and detection tasks with 66.7% fewer attention parameters. By combining dictionary learning strategies with transformer efficiency, MASA offers a scalable blueprint for parameter-efficient models without sacrificing performance. Finally, we investigate the possibility of employing MASA on pretrained LLMs to reduce their number of parameters without experiencing any significant drop in their performance.

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

The rapid advances in generative AI models have empowered the creation of highly realistic images with arbitrary content, raising concerns about potential misuse and harm, such as Deepfakes. Current research focuses on training detectors using large datasets of generated images. However, these training-based solutions are often computationally expensive and show limited generalization to unseen generated images. In this paper, we propose a training-free method to distinguish between real and AI-generated images. We first observe that real images are more robust to tiny noise perturbations than AI-generated images in the representation space of vision foundation models. Based on this observation, we propose RIGID, a training-free and model-agnostic method for robust AI-generated image detection. RIGID is a simple yet effective approach that identifies whether an image is AI-generated by comparing the representation similarity between the original and the noise-perturbed counterpart. Our evaluation on a diverse set of AI-generated images and benchmarks shows that RIGID significantly outperforms existing trainingbased and training-free detectors. In particular, the average performance of RIGID exceeds the current best training-free method by more than 25%. Importantly, RIGID exhibits strong generalization across different image generation methods and robustness to image corruptions.

Large Language Model (LLM) inference requires substantial computational resources, yet CPU-based inference remains essential for democratizing AI due to the widespread availability of CPUs compared to specialized accelerators. However, efficient LLM inference on CPUs faces two fundamental challenges: (1) existing CPU architectures struggle with low-precision arithmetic required by quantized models, where optimal bit precision varies across models and layers; and (2) the memory-bound nature of the token generation phase creates severe performance bottlenecks. To address these challenges, we propose SAIL (SRAM-Accelerated Inference of LLMs), a CPU-based inference solution that efficiently supports arbitrary bit precisions with minimal overhead. SAIL integrates three key innovations: First, we introduce Batched LUT-based General Matrix-Vector Multiplication (LUT-GEMV) with SRAM-based processing-in-memory, enabling high data reuse through lookup tables and reducing memory movement. Second, our Pattern-Aware LUT optimization identifies and exploits redundancy in input activation patterns, reducing computation cycles by 13.8\%. Third, we develop an in-memory type conversion algorithm that leverages PIM's parallelism for efficient de-/quantization operations, alleviating pressure on CPU's vector units. Our architecture requires only 2\% hardware overhead and a single new instruction, while maintaining dual functionality as both compute and storage units. Experimental evaluations using a modified gem5 simulator demonstrate that SAIL achieves up to 10.7x speedup and 19.9x higher tokens per dollar compared to ARM Neoverse-N1 CPU baselines, and up to 7.04x better cost efficiency than NVIDIA V100 GPUs, establishing a practical path for efficient CPU-based LLM inference.

This paper presents Tiny-toxic-detector, a compact transformer-based model designed for toxic content detection. Despite having only 2.1 million parameters, Tiny-toxic-detector achieves competitive performance on benchmark datasets, with 90.97% accuracy on ToxiGen and 86.98% accuracy on the Jigsaw dataset, rivaling models over 50 times its size. This efficiency enables deployment in resource-constrained environments, addressing the need for effective content moderation tools that balance performance with computational efficiency. The model architecture features 4 transformer encoder layers, each with 2 attention heads, an embedding dimension of 64, and a feedforward dimension of 128. Trained on both public and private datasets, Tiny-toxic-detector demonstrates the potential of efficient, task-specific models for addressing online toxicity. The paper covers the model architecture, training process, performance benchmarks, and limitations, underscoring its suitability for applications such as social media monitoring and content moderation. By achieving results comparable to much larger models while significantly reducing computational demands, Tiny-toxic-detector represents progress toward more sustainable and scalable AI-driven content moderation solutions.

Large Language Models (LLMs) have demonstrated remarkable prowess in generating contextually coherent responses, yet their fixed context windows pose fundamental challenges for maintaining consistency over prolonged multi-session dialogues. We introduce Mem0, a scalable memory-centric architecture that addresses this issue by dynamically extracting, consolidating, and retrieving salient information from ongoing conversations. Building on this foundation, we further propose an enhanced variant that leverages graph-based memory representations to capture complex relational structures among conversational elements. Through comprehensive evaluations on LOCOMO benchmark, we systematically compare our approaches against six baseline categories: (i) established memory-augmented systems, (ii) retrieval-augmented generation (RAG) with varying chunk sizes and k-values, (iii) a full-context approach that processes the entire conversation history, (iv) an open-source memory solution, (v) a proprietary model system, and (vi) a dedicated memory management platform. Empirical results show that our methods consistently outperform all existing memory systems across four question categories: single-hop, temporal, multi-hop, and open-domain. Notably, Mem0 achieves 26% relative improvements in the LLM-as-a-Judge metric over OpenAI, while Mem0 with graph memory achieves around 2% higher overall score than the base configuration. Beyond accuracy gains, we also markedly reduce computational overhead compared to full-context method. In particular, Mem0 attains a 91% lower p95 latency and saves more than 90% token cost, offering a compelling balance between advanced reasoning capabilities and practical deployment constraints. Our findings highlight critical role of structured, persistent memory mechanisms for long-term conversational coherence, paving the way for more reliable and efficient LLM-driven AI agents.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, yet they often struggle with spatial reasoning. This paper presents a novel neural-symbolic framework that enhances LLMs' spatial reasoning abilities through iterative feedback between LLMs and Answer Set Programming (ASP). We evaluate our approach on two benchmark datasets: StepGame and SparQA, implementing three distinct strategies: (1) direct prompting baseline, (2) Facts+Rules prompting, and (3) DSPy-based LLM+ASP pipeline with iterative refinement. Our experimental results demonstrate that the LLM+ASP pipeline significantly outperforms baseline methods, achieving an average 82% accuracy on StepGame and 69% on SparQA, marking improvements of 40-50% and 8-15% respectively over direct prompting. The success stems from three key innovations: (1) effective separation of semantic parsing and logical reasoning through a modular pipeline, (2) iterative feedback mechanism between LLMs and ASP solvers that improves program rate, and (3) robust error handling that addresses parsing, grounding, and solving failures. Additionally, we propose Facts+Rules as a lightweight alternative that achieves comparable performance on complex SparQA dataset, while reducing computational overhead.Our analysis across different LLM architectures (Deepseek, Llama3-70B, GPT-4.0 mini) demonstrates the framework's generalizability and provides insights into the trade-offs between implementation complexity and reasoning capability, contributing to the development of more interpretable and reliable AI systems.

Visibility information is critical in game AI applications, but the computational cost of raycasting-based methods poses a challenge for real-time systems. To address this challenge, we propose a novel method that represents a partitioned game scene as neural Omnidirectional Distance Fields (ODFs), allowing scalable and efficient visibility approximation between positions without raycasting. For each position of interest, we map its omnidirectional distance data from the spherical surface onto a UV plane. We then use multi-resolution grids and bilinearly interpolated features to encode directions. This allows us to use a compact multi-layer perceptron (MLP) to reconstruct the high-frequency directional distance data at these positions, ensuring fast inference speed. We demonstrate the effectiveness of our method through offline experiments and in-game evaluation. For in-game evaluation, we conduct a side-by-side comparison with raycasting-based visibility tests in three different scenes. Using a compact MLP (128 neurons and 2 layers), our method achieves an average cold start speedup of 9.35 times and warm start speedup of 4.8 times across these scenes. In addition, unlike the raycasting-based method, whose evaluation time is affected by the characteristics of the scenes, our method's evaluation time remains constant.

Recent advancements in Latent Diffusion Models (LDMs) have revolutionized image synthesis and manipulation, raising significant concerns about data misappropriation and intellectual property infringement. While adversarial attacks have been extensively explored as a protective measure against such misuse of generative AI, current approaches are severely limited by their heavy reliance on model-specific knowledge and substantial computational costs. Drawing inspiration from the posterior collapse phenomenon observed in VAE training, we propose the Posterior Collapse Attack (PCA), a novel framework for protecting images from unauthorized manipulation. Through comprehensive theoretical analysis and empirical validation, we identify two distinct collapse phenomena during VAE inference: diffusion collapse and concentration collapse. Based on this discovery, we design a unified loss function that can flexibly achieve both types of collapse through parameter adjustment, each corresponding to different protection objectives in preventing image manipulation. Our method significantly reduces dependence on model-specific knowledge by requiring access to only the VAE encoder, which constitutes less than 4\% of LDM parameters. Notably, PCA achieves prompt-invariant protection by operating on the VAE encoder before text conditioning occurs, eliminating the need for empty prompt optimization required by existing methods. This minimal requirement enables PCA to maintain adequate transferability across various VAE-based LDM architectures while effectively preventing unauthorized image editing. Extensive experiments show PCA outperforms existing techniques in protection effectiveness, computational efficiency (runtime and VRAM), and generalization across VAE-based LDM variants. Our code is available at https://github.com/ZhongliangGuo/PosteriorCollapseAttack.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

As the core operator of Transformers, Softmax Attention exhibits excellent global modeling capabilities. However, its quadratic complexity limits its applicability to vision tasks. In contrast, Linear Attention shares a similar formulation with Softmax Attention while achieving linear complexity, enabling efficient global information modeling. Nevertheless, Linear Attention suffers from a significant performance degradation compared to standard Softmax Attention. In this paper, we analyze the underlying causes of this issue based on the formulation of Linear Attention. We find that, unlike Softmax Attention, Linear Attention entirely disregards the magnitude information of the Query. This prevents the attention score distribution from dynamically adapting as the Query scales. As a result, despite its structural similarity to Softmax Attention, Linear Attention exhibits a significantly different attention score distribution. Based on this observation, we propose Magnitude-Aware Linear Attention (MALA), which modifies the computation of Linear Attention to fully incorporate the Query's magnitude. This adjustment allows MALA to generate an attention score distribution that closely resembles Softmax Attention while exhibiting a more well-balanced structure. We evaluate the effectiveness of MALA on multiple tasks, including image classification, object detection, instance segmentation, semantic segmentation, natural language processing, speech recognition, and image generation. Our MALA achieves strong results on all of these tasks. Code will be available at https://github.com/qhfan/MALA

Recent advancements in artificial intelligence (AI) for numerical weather prediction (NWP) have significantly transformed atmospheric modeling. AI NWP models outperform traditional physics-based systems, such as the Integrated Forecast System (IFS), across several global metrics while requiring fewer computational resources. However, existing AI NWP models face limitations related to training datasets and timestep choices, often resulting in artifacts that reduce model performance. To address these challenges, we introduce the Community Research Earth Digital Intelligence Twin (CREDIT) framework, developed at NSF NCAR. CREDIT provides a flexible, scalable, and user-friendly platform for training and deploying AI-based atmospheric models on high-performance computing systems. It offers an end-to-end pipeline for data preprocessing, model training, and evaluation, democratizing access to advanced AI NWP capabilities. We demonstrate CREDIT's potential through WXFormer, a novel deterministic vision transformer designed to predict atmospheric states autoregressively, addressing common AI NWP issues like compounding error growth with techniques such as spectral normalization, padding, and multi-step training. Additionally, to illustrate CREDIT's flexibility and state-of-the-art model comparisons, we train the FUXI architecture within this framework. Our findings show that both FUXI and WXFormer, trained on six-hourly ERA5 hybrid sigma-pressure levels, generally outperform IFS HRES in 10-day forecasts, offering potential improvements in efficiency and forecast accuracy. CREDIT's modular design enables researchers to explore various models, datasets, and training configurations, fostering innovation within the scientific community.

While transformer-based language models have driven the AI revolution thus far, their computational complexity has spurred growing interest in viable alternatives, such as structured state space sequence models (SSMs) and Selective SSMs. Among these, Mamba (S6) and its variant Mamba-2 have shown remarkable inference speed ups over transformers while achieving comparable or superior performance on complex language modeling tasks. However, despite these architectural innovations and empirical successes, the fundamental learning capabilities of Mamba remain poorly understood. In this paper, we address this gap by studying in-context learning (ICL) on Markov chains and uncovering a surprising phenomenon: unlike transformers, even a single-layer Mamba efficiently learns the in-context Laplacian smoothing estimator, which is both Bayes and minimax optimal, for all Markovian orders. To explain this, we theoretically characterize the representation capacity of Mamba and reveal the fundamental role of convolution in enabling it to represent the optimal Laplacian smoothing. These theoretical insights align strongly with empirical results and, to the best of our knowledge, represent the first formal connection between Mamba and optimal statistical estimators. Finally, we outline promising research directions inspired by these findings.

Dimensionality reduction in vector databases is pivotal for streamlining AI data management, enabling efficient storage, faster computation, and improved model performance. This paper explores the benefits of reducing vector database dimensions, with a focus on computational efficiency and overcoming the curse of dimensionality. We introduce a novel application of Fast Fourier Transform (FFT) to dimensionality reduction, a method previously underexploited in this context. By demonstrating its utility across various AI domains, including Retrieval-Augmented Generation (RAG) models and image processing, this FFT-based approach promises to improve data retrieval processes and enhance the efficiency and scalability of AI solutions. The incorporation of FFT may not only optimize operations in real-time processing and recommendation systems but also extend to advanced image processing techniques, where dimensionality reduction can significantly improve performance and analysis efficiency. This paper advocates for the broader adoption of FFT in vector database management, marking a significant stride towards addressing the challenges of data volume and complexity in AI research and applications. Unlike many existing approaches, we directly handle the embedding vectors produced by the model after processing a test input.

The introduction of 8-bit floating-point (FP8) computation units in modern AI accelerators has generated significant interest in FP8-based large language model (LLM) inference. Unlike 16-bit floating-point formats, FP8 in deep learning requires a shared scaling factor. Additionally, while E4M3 and E5M2 are well-defined at the individual value level, their scaling and accumulation methods remain unspecified and vary across hardware and software implementations. As a result, FP8 behaves more like a quantization format than a standard numeric representation. In this work, we provide the first comprehensive analysis of FP8 computation and acceleration on two AI accelerators: the NVIDIA H100 and Intel Gaudi 2. Our findings highlight that the Gaudi 2, by leveraging FP8, achieves higher throughput-to-power efficiency during LLM inference, offering valuable insights into the practical implications of FP8 adoption for datacenter-scale LLM serving.

This study evaluates and extends the findings made by Piatti et al., who introduced GovSim, a simulation framework designed to assess the cooperative decision-making capabilities of large language models (LLMs) in resource-sharing scenarios. By replicating key experiments, we validate claims regarding the performance of large models, such as GPT-4-turbo, compared to smaller models. The impact of the universalization principle is also examined, with results showing that large models can achieve sustainable cooperation, with or without the principle, while smaller models fail without it. In addition, we provide multiple extensions to explore the applicability of the framework to new settings. We evaluate additional models, such as DeepSeek-V3 and GPT-4o-mini, to test whether cooperative behavior generalizes across different architectures and model sizes. Furthermore, we introduce new settings: we create a heterogeneous multi-agent environment, study a scenario using Japanese instructions, and explore an "inverse environment" where agents must cooperate to mitigate harmful resource distributions. Our results confirm that the benchmark can be applied to new models, scenarios, and languages, offering valuable insights into the adaptability of LLMs in complex cooperative tasks. Moreover, the experiment involving heterogeneous multi-agent systems demonstrates that high-performing models can influence lower-performing ones to adopt similar behaviors. This finding has significant implications for other agent-based applications, potentially enabling more efficient use of computational resources and contributing to the development of more effective cooperative AI systems.

Artificial intelligence (AI) has enabled agents to master complex video games, from first-person shooters like Counter-Strike to real-time strategy games such as StarCraft II and racing games like Gran Turismo. While these achievements are notable, applying these AI methods in commercial video game production remains challenging due to computational constraints. In commercial scenarios, the majority of computational resources are allocated to 3D rendering, leaving limited capacity for AI methods, which often demand high computational power, particularly those relying on pixel-based sensors. Moreover, the gaming industry prioritizes creating human-like behavior in AI agents to enhance player experience, unlike academic models that focus on maximizing game performance. This paper introduces a novel methodology for training neural networks via imitation learning to play a complex, commercial-standard, VALORANT-like 2v2 tactical shooter game, requiring only modest CPU hardware during inference. Our approach leverages an innovative, pixel-free perception architecture using a small set of ray-cast sensors, which capture essential spatial information efficiently. These sensors allow AI to perform competently without the computational overhead of traditional methods. Models are trained to mimic human behavior using supervised learning on human trajectory data, resulting in realistic and engaging AI agents. Human evaluation tests confirm that our AI agents provide human-like gameplay experiences while operating efficiently under computational constraints. This offers a significant advancement in AI model development for tactical shooter games and possibly other genres.

Current methods for aligning large language models (LLMs) typically aim to reflect general human values and behaviors, but they often fail to capture the unique characteristics and preferences of individual users. To address this gap, we introduce the concept of Personality Alignment. This approach tailors LLMs' responses and decisions to match the specific preferences of individual users or closely related groups. Inspired by psychometrics, we created the Personality Alignment with Personality Inventories (PAPI) dataset, which includes data from 300,000 real subjects, each providing behavioral preferences based on the Big Five Personality Factors. This dataset allows us to quantitatively evaluate the extent to which LLMs can align with each subject's behavioral patterns. Recognizing the challenges of personality alignments: such as limited personal data, diverse preferences, and scalability requirements: we developed an activation intervention optimization method. This method enhances LLMs' ability to efficiently align with individual behavioral preferences using minimal data and computational resources. Remarkably, our method, PAS, achieves superior performance while requiring only 1/5 of the optimization time compared to DPO, offering practical value for personality alignment. Our work paves the way for future AI systems to make decisions and reason in truly personality ways, enhancing the relevance and meaning of AI interactions for each user and advancing human-centered artificial intelligence.The code has released in https://github.com/zhu-minjun/PAlign.

While machine learning has advanced through massive parallelization, we identify a critical blind spot: some problems are fundamentally sequential. These "inherently serial" problems-from mathematical reasoning to physical simulations to sequential decision-making-require dependent computational steps that cannot be parallelized. Drawing from complexity theory, we formalize this distinction and demonstrate that current parallel-centric architectures face fundamental limitations on such tasks. We argue that recognizing the serial nature of computation holds profound implications on machine learning, model design, hardware development. As AI tackles increasingly complex reasoning, deliberately scaling serial computation-not just parallel computation-is essential for continued progress.

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.

Artificial Intelligence (AI) is starting to transform the research process as we know it by automating the discovery of new solutions. Given a task, the typical AI-driven approach is (i) to generate a set of diverse solutions, and then (ii) to verify these solutions and select one that solves the problem. Crucially, this approach assumes the existence of a reliable verifier, i.e., one that can accurately determine whether a solution solves the given problem. We argue that systems research, long focused on designing and evaluating new performance-oriented algorithms, is particularly well-suited for AI-driven solution discovery. This is because system performance problems naturally admit reliable verifiers: solutions are typically implemented in real systems or simulators, and verification reduces to running these software artifacts against predefined workloads and measuring performance. We term this approach as AI-Driven Research for Systems (ADRS), which iteratively generates, evaluates, and refines solutions. Using penEvolve, an existing open-source ADRS instance, we present case studies across diverse domains, including load balancing for multi-region cloud scheduling, Mixture-of-Experts inference, LLM-based SQL queries, and transaction scheduling. In multiple instances, ADRS discovers algorithms that outperform state-of-the-art human designs (e.g., achieving up to 5.0x runtime improvements or 50% cost reductions). We distill best practices for guiding algorithm evolution, from prompt design to evaluator construction, for existing frameworks. We then discuss the broader implications for the systems community: as AI assumes a central role in algorithm design, we argue that human researchers will increasingly focus on problem formulation and strategic guidance. Our results highlight both the disruptive potential and the urgent need to adapt systems research practices in the age of AI.

Can an AI autonomously design mechanisms for computer systems on par with the creativity and reasoning of human experts? We present Glia, an AI architecture for networked systems design that uses large language models (LLMs) in a human-inspired, multi-agent workflow. Each agent specializes in reasoning, experimentation, and analysis, collaborating through an evaluation framework that grounds abstract reasoning in empirical feedback. Unlike prior ML-for-systems methods that optimize black-box policies, Glia generates interpretable designs and exposes its reasoning process. When applied to a distributed GPU cluster for LLM inference, it produces new algorithms for request routing, scheduling, and auto-scaling that perform at human-expert levels in significantly less time, while yielding novel insights into workload behavior. Our results suggest that by combining reasoning LLMs with structured experimentation, an AI can produce creative and understandable designs for complex systems problems.

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific innovation. In this paper, we introduce AI-Researcher, a fully autonomous research system that transforms how AI-driven scientific discovery is conducted and evaluated. Our framework seamlessly orchestrates the complete research pipeline--from literature review and hypothesis generation to algorithm implementation and publication-ready manuscript preparation--with minimal human intervention. To rigorously assess autonomous research capabilities, we develop Scientist-Bench, a comprehensive benchmark comprising state-of-the-art papers across diverse AI research domains, featuring both guided innovation and open-ended exploration tasks. Through extensive experiments, we demonstrate that AI-Researcher achieves remarkable implementation success rates and produces research papers that approach human-level quality. This work establishes new foundations for autonomous scientific innovation that can complement human researchers by systematically exploring solution spaces beyond cognitive limitations.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

This paper aims to understand how neural networks learn algorithmic reasoning by addressing two questions: How faithful are learned algorithms when they are effective, and why do neural networks fail to learn effective algorithms otherwise? To answer these questions, we use neural compilation, a technique that directly encodes a source algorithm into neural network parameters, enabling the network to compute the algorithm exactly. This enables comparison between compiled and conventionally learned parameters, intermediate vectors, and behaviors. This investigation is crucial for developing neural networks that robustly learn complexalgorithms from data. Our analysis focuses on graph neural networks (GNNs), which are naturally aligned with algorithmic reasoning tasks, specifically our choices of BFS, DFS, and Bellman-Ford, which cover the spectrum of effective, faithful, and ineffective learned algorithms. Commonly, learning algorithmic reasoning is framed as induction over synthetic data, where a parameterized model is trained on inputs, traces, and outputs produced by an underlying ground truth algorithm. In contrast, we introduce a neural compilation method for GNNs, which sets network parameters analytically, bypassing training. Focusing on GNNs leverages their alignment with algorithmic reasoning, extensive algorithmic induction literature, and the novel application of neural compilation to GNNs. Overall, this paper aims to characterize expressability-trainability gaps - a fundamental shortcoming in learning algorithmic reasoning. We hypothesize that inductive learning is most effective for parallel algorithms contained within the computational class NC.

Artificial intelligence (AI) methods have become critical in scientific applications to help accelerate scientific discovery. Large language models (LLMs) are being considered as a promising approach to address some of the challenging problems because of their superior generalization capabilities across domains. The effectiveness of the models and the accuracy of the applications is contingent upon their efficient execution on the underlying hardware infrastructure. Specialized AI accelerator hardware systems have recently become available for accelerating AI applications. However, the comparative performance of these AI accelerators on large language models has not been previously studied. In this paper, we systematically study LLMs on multiple AI accelerators and GPUs and evaluate their performance characteristics for these models. We evaluate these systems with (i) a micro-benchmark using a core transformer block, (ii) a GPT- 2 model, and (iii) an LLM-driven science use case, GenSLM. We present our findings and analyses of the models' performance to better understand the intrinsic capabilities of AI accelerators. Furthermore, our analysis takes into account key factors such as sequence lengths, scaling behavior, sparsity, and sensitivity to gradient accumulation steps.

Proof-oriented programs mix computational content with proofs of program correctness. However, the human effort involved in programming and proving is still substantial, despite the use of Satisfiability Modulo Theories (SMT) solvers to automate proofs in languages such as F*. Seeking to spur research on using AI to automate the construction of proof-oriented programs, we curate a dataset of 600K lines of open-source F* programs and proofs, including software used in production systems ranging from Windows and Linux, to Python and Firefox. Our dataset includes around 32K top-level F* definitions, each representing a type-directed program and proof synthesis problem -- producing a definition given a formal specification expressed as an F* type. We provide a program-fragment checker that queries F* to check the correctness of candidate solutions. We believe this is the largest corpus of SMT-assisted program proofs coupled with a reproducible program-fragment checker. Grounded in this dataset, we investigate the use of AI to synthesize programs and their proofs in F*, with promising results. Our main finding in that the performance of fine-tuned smaller language models (such as Phi-2 or StarCoder) compare favorably with large language models (such as GPT-4), at a much lower computational cost. We also identify various type-based retrieval augmentation techniques and find that they boost performance significantly. With detailed error analysis and case studies, we identify potential strengths and weaknesses of models and techniques and suggest directions for future improvements.

We extend the capabilities of neural networks by coupling them to external memory resources, which they can interact with by attentional processes. The combined system is analogous to a Turing Machine or Von Neumann architecture but is differentiable end-to-end, allowing it to be efficiently trained with gradient descent. Preliminary results demonstrate that Neural Turing Machines can infer simple algorithms such as copying, sorting, and associative recall from input and output examples.

This paper introduces Adaptive Computation Time (ACT), an algorithm that allows recurrent neural networks to learn how many computational steps to take between receiving an input and emitting an output. ACT requires minimal changes to the network architecture, is deterministic and differentiable, and does not add any noise to the parameter gradients. Experimental results are provided for four synthetic problems: determining the parity of binary vectors, applying binary logic operations, adding integers, and sorting real numbers. Overall, performance is dramatically improved by the use of ACT, which successfully adapts the number of computational steps to the requirements of the problem. We also present character-level language modelling results on the Hutter prize Wikipedia dataset. In this case ACT does not yield large gains in performance; however it does provide intriguing insight into the structure of the data, with more computation allocated to harder-to-predict transitions, such as spaces between words and ends of sentences. This suggests that ACT or other adaptive computation methods could provide a generic method for inferring segment boundaries in sequence data.

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

Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is capable of understanding and responding in multiple modalities. However, the advanced capability currently comes with significant system resource demands. To sustainably scale generative AI capabilities to billions of users in the world, inference must be fast and efficient. This paper pinpoints key system design and optimization opportunities by characterizing a family of emerging multi-modal generation models on real systems. Auto-regressive token generation is a critical latency performance bottleneck, typically dominated by GPU idle time. In addition to memory-intensive attention across the generative AI models, linear operations constitute significant inference latency due to the feed forward networks in Transformer-based models. We demonstrate that state-of-the-art optimization levers, spanning from applications to system software and hardware, set a 3.88x better baseline.

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

Recent studies of the applications of conversational AI tools, such as chatbots powered by large language models, to complex real-world knowledge work have shown limitations related to reasoning and multi-step problem solving. Specifically, while existing chatbots simulate shallow reasoning and understanding they are prone to errors as problem complexity increases. The failure of these systems to address complex knowledge work is due to the fact that they do not perform any actual cognition. In this position paper, we present Cognitive AI, a higher-level framework for implementing programmatically defined neuro-symbolic cognition above and outside of large language models. Specifically, we propose a dual-layer functional architecture for Cognitive AI that serves as a roadmap for AI systems that can perform complex multi-step knowledge work. We propose that Cognitive AI is a necessary precursor for the evolution of higher forms of AI, such as AGI, and specifically claim that AGI cannot be achieved by probabilistic approaches on their own. We conclude with a discussion of the implications for large language models, adoption cycles in AI, and commercial Cognitive AI development.

Progress in AI is hindered by the lack of a programming language with all the requisite features. Libraries like PyTorch and TensorFlow provide automatic differentiation and efficient GPU implementation, but are additions to Python, which was never intended for AI. Their lack of support for automated reasoning and knowledge acquisition has led to a long and costly series of hacky attempts to tack them on. On the other hand, AI languages like LISP an Prolog lack scalability and support for learning. This paper proposes tensor logic, a language that solves these problems by unifying neural and symbolic AI at a fundamental level. The sole construct in tensor logic is the tensor equation, based on the observation that logical rules and Einstein summation are essentially the same operation, and all else can be reduced to them. I show how to elegantly implement key forms of neural, symbolic and statistical AI in tensor logic, including transformers, formal reasoning, kernel machines and graphical models. Most importantly, tensor logic makes new directions possible, such as sound reasoning in embedding space. This combines the scalability and learnability of neural networks with the reliability and transparency of symbolic reasoning, and is potentially a basis for the wider adoption of AI.

Artificial intelligence (AI) has achieved astonishing successes in many domains, especially with the recent breakthroughs in the development of foundational large models. These large models, leveraging their extensive training data, provide versatile solutions for a wide range of downstream tasks. However, as modern datasets become increasingly diverse and complex, the development of large AI models faces two major challenges: (1) the enormous consumption of computational resources and deployment difficulties, and (2) the difficulty in fitting heterogeneous and complex data, which limits the usability of the models. Mixture of Experts (MoE) models has recently attracted much attention in addressing these challenges, by dynamically selecting and activating the most relevant sub-models to process input data. It has been shown that MoEs can significantly improve model performance and efficiency with fewer resources, particularly excelling in handling large-scale, multimodal data. Given the tremendous potential MoE has demonstrated across various domains, it is urgent to provide a comprehensive summary of recent advancements of MoEs in many important fields. Existing surveys on MoE have their limitations, e.g., being outdated or lacking discussion on certain key areas, and we aim to address these gaps. In this paper, we first introduce the basic design of MoE, including gating functions, expert networks, routing mechanisms, training strategies, and system design. We then explore the algorithm design of MoE in important machine learning paradigms such as continual learning, meta-learning, multi-task learning, and reinforcement learning. Additionally, we summarize theoretical studies aimed at understanding MoE and review its applications in computer vision and natural language processing. Finally, we discuss promising future research directions.

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

We study a novel language model architecture that is capable of scaling test-time computation by implicitly reasoning in latent space. Our model works by iterating a recurrent block, thereby unrolling to arbitrary depth at test-time. This stands in contrast to mainstream reasoning models that scale up compute by producing more tokens. Unlike approaches based on chain-of-thought, our approach does not require any specialized training data, can work with small context windows, and can capture types of reasoning that are not easily represented in words. We scale a proof-of-concept model to 3.5 billion parameters and 800 billion tokens. We show that the resulting model can improve its performance on reasoning benchmarks, sometimes dramatically, up to a computation load equivalent to 50 billion parameters.

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of natural language processing and reasoning tasks. However, their performance in the foundational domain of arithmetic remains unsatisfactory. When dealing with arithmetic tasks, LLMs often memorize specific examples rather than learning the underlying computational logic, limiting their ability to generalize to new problems. In this paper, we propose a Composable Arithmetic Execution Framework (CAEF) that enables LLMs to learn to execute step-by-step computations by emulating Turing Machines, thereby gaining a genuine understanding of computational logic. Moreover, the proposed framework is highly scalable, allowing composing learned operators to significantly reduce the difficulty of learning complex operators. In our evaluation, CAEF achieves nearly 100% accuracy across seven common mathematical operations on the LLaMA 3.1-8B model, effectively supporting computations involving operands with up to 100 digits, a level where GPT-4o falls short noticeably in some settings.

Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-and-error as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI MLE-Bench and METRs RE-Bench.

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

In this paper, we introduce the AI Search Paradigm, a comprehensive blueprint for next-generation search systems capable of emulating human information processing and decision-making. The paradigm employs a modular architecture of four LLM-powered agents (Master, Planner, Executor and Writer) that dynamically adapt to the full spectrum of information needs, from simple factual queries to complex multi-stage reasoning tasks. These agents collaborate dynamically through coordinated workflows to evaluate query complexity, decompose problems into executable plans, and orchestrate tool usage, task execution, and content synthesis. We systematically present key methodologies for realizing this paradigm, including task planning and tool integration, execution strategies, aligned and robust retrieval-augmented generation, and efficient LLM inference, spanning both algorithmic techniques and infrastructure-level optimizations. By providing an in-depth guide to these foundational components, this work aims to inform the development of trustworthy, adaptive, and scalable AI search systems.

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

Humans interact with the environment using a combination of perception - transforming sensory inputs from their environment into symbols, and cognition - mapping symbols to knowledge about the environment for supporting abstraction, reasoning by analogy, and long-term planning. Human perception-inspired machine perception, in the context of AI, refers to large-scale pattern recognition from raw data using neural networks trained using self-supervised learning objectives such as next-word prediction or object recognition. On the other hand, machine cognition encompasses more complex computations, such as using knowledge of the environment to guide reasoning, analogy, and long-term planning. Humans can also control and explain their cognitive functions. This seems to require the retention of symbolic mappings from perception outputs to knowledge about their environment. For example, humans can follow and explain the guidelines and safety constraints driving their decision-making in safety-critical applications such as healthcare, criminal justice, and autonomous driving. This article introduces the rapidly emerging paradigm of Neurosymbolic AI combines neural networks and knowledge-guided symbolic approaches to create more capable and flexible AI systems. These systems have immense potential to advance both algorithm-level (e.g., abstraction, analogy, reasoning) and application-level (e.g., explainable and safety-constrained decision-making) capabilities of AI systems.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

While AI systems demonstrate exponentially improving capabilities, the pace of AI research itself remains linearly bounded by human cognitive capacity, creating an increasingly severe development bottleneck. We present ASI-Arch, the first demonstration of Artificial Superintelligence for AI research (ASI4AI) in the critical domain of neural architecture discovery--a fully autonomous system that shatters this fundamental constraint by enabling AI to conduct its own architectural innovation. Moving beyond traditional Neural Architecture Search (NAS), which is fundamentally limited to exploring human-defined spaces, we introduce a paradigm shift from automated optimization to automated innovation. ASI-Arch can conduct end-to-end scientific research in the domain of architecture discovery, autonomously hypothesizing novel architectural concepts, implementing them as executable code, training and empirically validating their performance through rigorous experimentation and past experience. ASI-Arch conducted 1,773 autonomous experiments over 20,000 GPU hours, culminating in the discovery of 106 innovative, state-of-the-art (SOTA) linear attention architectures. Like AlphaGo's Move 37 that revealed unexpected strategic insights invisible to human players, our AI-discovered architectures demonstrate emergent design principles that systematically surpass human-designed baselines and illuminate previously unknown pathways for architectural innovation. Crucially, we establish the first empirical scaling law for scientific discovery itself--demonstrating that architectural breakthroughs can be scaled computationally, transforming research progress from a human-limited to a computation-scalable process. We provide comprehensive analysis of the emergent design patterns and autonomous research capabilities that enabled these breakthroughs, establishing a blueprint for self-accelerating AI systems.

This paper is an opinion paper that looks at the future of computing in the age of Generative \& Agentic AI. Current software systems are static and inflexible, leading to significant challenges in translating human goals into computational actions. "Living software systems" powered by generative AI offer a solution to this fundamental problem in computing. Traditional software development involves multiple layers of imperfect translation, from business requirements to code, resulting in rigid systems that struggle to adapt to changing user needs and contexts. Generative AI, particularly large language models, can serve as a universal translator between human intent and computer operations. This approach enables the creation of more flexible, context-aware systems that can dynamically evolve to meet user goals. Two pathways for implementing living software systems are explored: using generative AI to accelerate traditional software development, and leveraging agentic AI to create truly adaptive systems. New skills like Prompt Engineering are necessary. By reimagining software as a living, adaptable entity, we can create computing interfaces that are more intuitive, powerful, and responsive to human needs.

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample complexity) if its individual components align well with the target algorithm. Specifically, GNNs are claimed to align with dynamic programming (DP), a general problem-solving strategy which expresses many polynomial-time algorithms. However, has this alignment truly been demonstrated and theoretically quantified? Here we show, using methods from category theory and abstract algebra, that there exists an intricate connection between GNNs and DP, going well beyond the initial observations over individual algorithms such as Bellman-Ford. Exposing this connection, we easily verify several prior findings in the literature, produce better-grounded GNN architectures for edge-centric tasks, and demonstrate empirical results on the CLRS algorithmic reasoning benchmark. We hope our exposition will serve as a foundation for building stronger algorithmically aligned GNNs.

We show that transformer-based large language models are computationally universal when augmented with an external memory. Any deterministic language model that conditions on strings of bounded length is equivalent to a finite automaton, hence computationally limited. However, augmenting such models with a read-write memory creates the possibility of processing arbitrarily large inputs and, potentially, simulating any algorithm. We establish that an existing large language model, Flan-U-PaLM 540B, can be combined with an associative read-write memory to exactly simulate the execution of a universal Turing machine, U_{15,2}. A key aspect of the finding is that it does not require any modification of the language model weights. Instead, the construction relies solely on designing a form of stored instruction computer that can subsequently be programmed with a specific set of prompts.

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

The challenge of mapping AI architectures to GPU hardware is creating a critical bottleneck in AI progress. Despite substantial efforts, hand-written custom kernels fail to meet their theoretical performance thresholds, even on well-established operations like linear attention. The diverse hardware capabilities of GPUs might suggest that we need a wide variety of techniques to achieve high performance. However, our work explores whether a small number of key abstractions can drastically simplify the process. We present ThunderKittens (TK), a framework for writing performant AI kernels while remaining easy to use and maintain. Our abstractions map to the three levels of the GPU hierarchy: (1) at the warp-level, we provide 16x16 matrix tiles as basic data structures and PyTorch-like parallel compute operations over tiles, (2) at the thread-block level, we provide a template for overlapping asynchronous operations across parallel warps, and (3) at the grid-level, we provide support to help hide the block launch and tear-down, and memory costs. We show the value of TK by providing kernels that match or outperform prior kernels for a range of AI operations. We match CuBLAS and FlashAttention-3 on GEMM and attention inference performance and outperform the strongest baselines by 10-40% on attention backwards, 8times on state space models, and 14times on linear attention.

How can we perform computations over natural language representations to solve tasks that require symbolic and numeric reasoning? We propose natural language embedded programs (NLEP) as a unifying framework for addressing math/symbolic reasoning, natural language understanding, and instruction following tasks. Our approach prompts a language model to generate full Python programs that define functions over data structures which contain natural language representations of structured knowledge. A Python interpreter then executes the generated code and prints the output. Despite using a task-general prompt, we find that this approach can improve upon strong baselines across a range of different tasks including math and symbolic reasoning, text classification, question answering, and instruction following. We further find the generated programs are often interpretable and enable post-hoc verification of the intermediate reasoning steps.

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although effective in improving accuracy, these methods are not optimal in terms of efficiency: they perform simple decomposition on the reasoning process, but ignore the planning-execution nature of tasks such as math reasoning or code generation. This results in inefficient exploration of reasoning process. To address this, we propose a dual-phase test-time scaling framework that explicitly separates reasoning into planning and execution, and performs search over the two phases individually. Specifically, we decompose reasoning trajectories and develop reward models for each phase, enabling the search to explore and prune plans and executions separately. We further introduce a dynamic budget allocation mechanism that adaptively redistributes sampling effort based on reward feedback, allowing early stopping on confident steps and reallocation of computation to more challenging parts of the reasoning process. Experiments on both mathematical reasoning and code generation benchmarks demonstrate that our approach consistently improves accuracy while reducing redundant computation.

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

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

Over the last several decades, software has been woven into the fabric of every aspect of our society. As software development surges and code infrastructure of enterprise applications ages, it is now more critical than ever to increase software development productivity and modernize legacy applications. Advances in deep learning and machine learning algorithms have enabled numerous breakthroughs, motivating researchers to leverage AI techniques to improve software development efficiency. Thus, the fast-emerging research area of AI for Code has garnered new interest and gathered momentum. In this paper, we present a large-scale dataset CodeNet, consisting of over 14 million code samples and about 500 million lines of code in 55 different programming languages, which is aimed at teaching AI to code. In addition to its large scale, CodeNet has a rich set of high-quality annotations to benchmark and help accelerate research in AI techniques for a variety of critical coding tasks, including code similarity and classification, code translation between a large variety of programming languages, and code performance (runtime and memory) improvement techniques. Additionally, CodeNet provides sample input and output test sets for 98.5% of the code samples, which can be used as an oracle for determining code correctness and potentially guide reinforcement learning for code quality improvements. As a usability feature, we provide several pre-processing tools in CodeNet to transform source code into representations that can be readily used as inputs into machine learning models. Results of code classification and code similarity experiments using the CodeNet dataset are provided as a reference. We hope that the scale, diversity and rich, high-quality annotations of CodeNet will offer unprecedented research opportunities at the intersection of AI and Software Engineering.

The remarkable capabilities and intricate nature of Artificial Intelligence (AI) have dramatically escalated the imperative for specialized AI accelerators. Nonetheless, designing these accelerators for various AI workloads remains both labor- and time-intensive. While existing design exploration and automation tools can partially alleviate the need for extensive human involvement, they still demand substantial hardware expertise, posing a barrier to non-experts and stifling AI accelerator development. Motivated by the astonishing potential of large language models (LLMs) for generating high-quality content in response to human language instructions, we embark on this work to examine the possibility of harnessing LLMs to automate AI accelerator design. Through this endeavor, we develop GPT4AIGChip, a framework intended to democratize AI accelerator design by leveraging human natural languages instead of domain-specific languages. Specifically, we first perform an in-depth investigation into LLMs' limitations and capabilities for AI accelerator design, thus aiding our understanding of our current position and garnering insights into LLM-powered automated AI accelerator design. Furthermore, drawing inspiration from the above insights, we develop a framework called GPT4AIGChip, which features an automated demo-augmented prompt-generation pipeline utilizing in-context learning to guide LLMs towards creating high-quality AI accelerator design. To our knowledge, this work is the first to demonstrate an effective pipeline for LLM-powered automated AI accelerator generation. Accordingly, we anticipate that our insights and framework can serve as a catalyst for innovations in next-generation LLM-powered design automation tools.

Length generalization refers to the ability to extrapolate from short training sequences to long test sequences and is a challenge for current large language models. While prior work has proposed some architecture or data format changes to achieve length generalization, these proposals typically apply to a limited set of tasks. Building on prior scratchpad and Chain-of-Thought (CoT) techniques, we propose Turing Programs, a novel CoT strategy that decomposes an algorithmic task into steps mimicking the computation of a Turing Machine. This framework is both universal, as it can accommodate any algorithmic task, and simple, requiring only copying text from the context with small modifications. We show that by using Turing Programs, we obtain robust length generalization on a range of algorithmic tasks: addition, multiplication and in-context SGD. We then demonstrate that transformers achieve length generalization on random Turing Programs, suggesting that length generalization is possible for any algorithmic task. Finally, we theoretically prove that transformers can implement Turing Programs, constructing a simple RASP (Weiss et al.) program that simulates an arbitrary Turing machine.

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

The Game of Life (Life), a well known algorithm within the broader class of cellular automata (CA), exhibits complex emergent dynamics, with extreme sensitivity to initial conditions. Modeling and predicting such intricate behavior without explicit knowledge of the system's underlying topology presents a significant challenge, motivating the development of algorithms that can generalize across various grid configurations and boundary conditions. We develop a decoder-only generative pretrained transformer model to solve this problem, showing that our model can simulate Life on a toroidal grid with no prior knowledge on the size of the grid, or its periodic boundary conditions (LifeGPT). LifeGPT is topology-agnostic with respect to its training data and our results show that a GPT model is capable of capturing the deterministic rules of a Turing-complete system with near-perfect accuracy, given sufficiently diverse training data. We also introduce the idea of an `autoregressive autoregressor' to recursively implement Life using LifeGPT. Our results pave the path towards true universal computation within a large language model (LLM) framework, synthesizing of mathematical analysis with natural language processing, and probing AI systems for situational awareness about the evolution of such algorithms without ever having to compute them. Similar GPTs could potentially solve inverse problems in multicellular self-assembly by extracting CA-compatible rulesets from real-world biological systems to create new predictive models, which would have significant consequences for the fields of bioinspired materials, tissue engineering, and architected materials design.

Feedforward computation, such as evaluating a neural network or sampling from an autoregressive model, is ubiquitous in machine learning. The sequential nature of feedforward computation, however, requires a strict order of execution and cannot be easily accelerated with parallel computing. To enable parallelization, we frame the task of feedforward computation as solving a system of nonlinear equations. We then propose to find the solution using a Jacobi or Gauss-Seidel fixed-point iteration method, as well as hybrid methods of both. Crucially, Jacobi updates operate independently on each equation and can be executed in parallel. Our method is guaranteed to give exactly the same values as the original feedforward computation with a reduced (or equal) number of parallelizable iterations, and hence reduced time given sufficient parallel computing power. Experimentally, we demonstrate the effectiveness of our approach in accelerating (i) backpropagation of RNNs, (ii) evaluation of DenseNets, and (iii) autoregressive sampling of MADE and PixelCNN++, with speedup factors between 2.1 and 26 under various settings.

Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following is part position paper, part review, and part unification. We argue that combinatorial generalization must be a top priority for AI to achieve human-like abilities, and that structured representations and computations are key to realizing this objective. Just as biology uses nature and nurture cooperatively, we reject the false choice between "hand-engineering" and "end-to-end" learning, and instead advocate for an approach which benefits from their complementary strengths. We explore how using relational inductive biases within deep learning architectures can facilitate learning about entities, relations, and rules for composing them. We present a new building block for the AI toolkit with a strong relational inductive bias--the graph network--which generalizes and extends various approaches for neural networks that operate on graphs, and provides a straightforward interface for manipulating structured knowledge and producing structured behaviors. We discuss how graph networks can support relational reasoning and combinatorial generalization, laying the foundation for more sophisticated, interpretable, and flexible patterns of reasoning. As a companion to this paper, we have released an open-source software library for building graph networks, with demonstrations of how to use them in practice.

Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving math problems and proving theorems has garnered significant interest in the fields of machine learning and natural language processing. For example, mathematics serves as a testbed for aspects of reasoning that are challenging for powerful deep learning models, driving new algorithmic and modeling advances. On the other hand, recent advances in large-scale neural language models have opened up new benchmarks and opportunities to use deep learning for mathematical reasoning. In this survey paper, we review the key tasks, datasets, and methods at the intersection of mathematical reasoning and deep learning over the past decade. We also evaluate existing benchmarks and methods, and discuss future research directions in this domain.

In standard neural networks the amount of computation used grows with the size of the inputs, but not with the complexity of the problem being learnt. To overcome this limitation we introduce PonderNet, a new algorithm that learns to adapt the amount of computation based on the complexity of the problem at hand. PonderNet learns end-to-end the number of computational steps to achieve an effective compromise between training prediction accuracy, computational cost and generalization. On a complex synthetic problem, PonderNet dramatically improves performance over previous adaptive computation methods and additionally succeeds at extrapolation tests where traditional neural networks fail. Also, our method matched the current state of the art results on a real world question and answering dataset, but using less compute. Finally, PonderNet reached state of the art results on a complex task designed to test the reasoning capabilities of neural networks.1

Memory is a fundamental component of AI systems, underpinning large language models (LLMs) based agents. While prior surveys have focused on memory applications with LLMs, they often overlook the atomic operations that underlie memory dynamics. In this survey, we first categorize memory representations into parametric, contextual structured, and contextual unstructured and then introduce six fundamental memory operations: Consolidation, Updating, Indexing, Forgetting, Retrieval, and Compression. We systematically map these operations to the most relevant research topics across long-term, long-context, parametric modification, and multi-source memory. By reframing memory systems through the lens of atomic operations and representation types, this survey provides a structured and dynamic perspective on research, benchmark datasets, and tools related to memory in AI, clarifying the functional interplay in LLMs based agents while outlining promising directions for future researchThe paper list, datasets, methods and tools are available at \href{https://github.com/Elvin-Yiming-Du/Survey_Memory_in_AI{https://github.com/Elvin-Yiming-Du/Survey\_Memory\_in\_AI}.}.

The use of large language models (LLMs) for automated code generation has emerged as a significant focus within AI research. As these pretrained models continue to evolve, their ability to understand and generate complex code structures has opened new possibilities for automating intricate programming tasks for the sake of accurate code generation. Although contemporary foundational models demonstrate promoting results, researchers continue to explore optimal post-training strategies to enhance code quality. These include supervised fine-tuning, retrieval-augmented generation (RAG), debugging, and many others. In this paper, we combine two widely used approaches namely multi-agent collaboration and runtime execution information-based debugging, for improving code generation functionality, reliability, and practical applicability. We perform an empirical study in order to extend the evaluation of the individual strategies as well as the proposed composition of the activities of both strategies. Our study use 19 LLMs to examines the performance of individual and the proposed strategies, offering comprehensive insights into how different programming activities compositions and training paradigms influence code generation effectiveness. In particular, we implement a chained system that combines both strategies to assess their combined impact on functional accuracy, code reliability, and generation latency using two benchmark datasets commonly used for code generation. Our findings provide valuable insights for organizations seeking robust AI-driven coding solutions by guiding them in selecting models that can better adapt to complex post-training strategies, ultimately fostering the adoption of more effective and reliable code generation technologies.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

Large language models (LLMs) have demonstrated remarkable potential across numerous applications and have shown an emergent ability to tackle complex reasoning tasks, such as mathematical computations. However, even for the simplest arithmetic calculations, the intrinsic mechanisms behind LLMs remain mysterious, making it challenging to ensure reliability. In this work, we delve into uncovering a specific mechanism by which LLMs execute calculations. Through comprehensive experiments, we find that LLMs frequently involve a small fraction (< 5%) of attention heads, which play a pivotal role in focusing on operands and operators during calculation processes. Subsequently, the information from these operands is processed through multi-layer perceptrons (MLPs), progressively leading to the final solution. These pivotal heads/MLPs, though identified on a specific dataset, exhibit transferability across different datasets and even distinct tasks. This insight prompted us to investigate the potential benefits of selectively fine-tuning these essential heads/MLPs to boost the LLMs' computational performance. We empirically find that such precise tuning can yield notable enhancements on mathematical prowess, without compromising the performance on non-mathematical tasks. Our work serves as a preliminary exploration into the arithmetic calculation abilities inherent in LLMs, laying a solid foundation to reveal more intricate mathematical tasks.

We introduce and train distributed neural architectures (DNA) in vision and language domains. DNAs are initialized with a proto-architecture that consists of (transformer, MLP, attention, etc.) modules and routers. Any token (or patch) can traverse any series of modules in any order. DNAs are a natural generalization of the sparse methods such as Mixture-of-Experts, Mixture-of-Depths, parameter sharing, etc. Computation and communication patterns of DNA modules are learnt end-to-end during training and depend on the content and context of each token (or patch). These patterns can be shaped by further requirements added to the optimization objective such as compute/memory efficiency or load balancing. We empirically show that (i) trained DNAs are competitive with the dense baselines in both domains and (ii) compute efficiency/parameter sharing can be learnt from data. Next, we analyze the emergent connectivity and computation patterns in the trained DNAs. We find that the paths that tokens take through the models are themselves distributed according to a power-law. We show that some paths (or, equivalently, groups of modules) show emergent specialization. Finally, we demonstrate that models learn to allocate compute and active parameters in an interpretable way.

We contribute a theoretical and operational framework for neurosymbolic AI called DeepLog. DeepLog introduces building blocks and primitives for neurosymbolic AI that make abstraction of commonly used representations and computational mechanisms used in neurosymbolic AI. DeepLog can represent and emulate a wide range of neurosymbolic systems. It consists of two key components. The first is the DeepLog language for specifying neurosymbolic models and inference tasks. This language consists of an annotated neural extension of grounded first-order logic, and makes abstraction of the type of logic, e.g. boolean, fuzzy or probabilistic, and whether logic is used in the architecture or in the loss function. The second DeepLog component is situated at the computational level and uses extended algebraic circuits as computational graphs. Together these two components are to be considered as a neurosymbolic abstract machine, with the DeepLog language as the intermediate level of abstraction and the circuits level as the computational one. DeepLog is implemented in software, relies on the latest insights in implementing algebraic circuits on GPUs, and is declarative in that it is easy to obtain different neurosymbolic models by making different choices for the underlying algebraic structures and logics. The generality and efficiency of the DeepLog neurosymbolic machine is demonstrated through an experimental comparison between 1) different fuzzy and probabilistic logics, 2) between using logic in the architecture or in the loss function, and 3) between a standalone CPU-based implementation of a neurosymbolic AI system and a DeepLog GPU-based one.

Today's AI systems have human-designed, fixed architectures and cannot autonomously and continuously improve themselves. The advance of AI could itself be automated. If done safely, that would accelerate AI development and allow us to reap its benefits much sooner. Meta-learning can automate the discovery of novel algorithms, but is limited by first-order improvements and the human design of a suitable search space. The G\"odel machine proposed a theoretical alternative: a self-improving AI that repeatedly modifies itself in a provably beneficial manner. Unfortunately, proving that most changes are net beneficial is impossible in practice. We introduce the Darwin G\"odel Machine (DGM), a self-improving system that iteratively modifies its own code (thereby also improving its ability to modify its own codebase) and empirically validates each change using coding benchmarks. Inspired by Darwinian evolution and open-endedness research, the DGM maintains an archive of generated coding agents. It grows the archive by sampling an agent from it and using a foundation model to create a new, interesting, version of the sampled agent. This open-ended exploration forms a growing tree of diverse, high-quality agents and allows the parallel exploration of many different paths through the search space. Empirically, the DGM automatically improves its coding capabilities (e.g., better code editing tools, long-context window management, peer-review mechanisms), increasing performance on SWE-bench from 20.0% to 50.0%, and on Polyglot from 14.2% to 30.7%. Furthermore, the DGM significantly outperforms baselines without self-improvement or open-ended exploration. All experiments were done with safety precautions (e.g., sandboxing, human oversight). The DGM is a significant step toward self-improving AI, capable of gathering its own stepping stones along paths that unfold into endless innovation.

The recent progress of AI can be largely attributed to large language models (LLMs). However, their escalating memory requirements introduce challenges for machine learning (ML) researchers and engineers. Addressing this requires developers to partition a large model to distribute it across multiple GPUs or TPUs. This necessitates considerable coding and intricate configuration efforts with existing model parallel tools, such as Megatron-LM, DeepSpeed, and Alpa. These tools require users' expertise in machine learning systems (MLSys), creating a bottleneck in LLM development, particularly for developers without MLSys background. In this work, we present Redco, a lightweight and user-friendly tool crafted to automate distributed training and inference for LLMs, as well as to simplify ML pipeline development. The design of Redco emphasizes two key aspects. Firstly, to automate model parallism, our study identifies two straightforward rules to generate tensor parallel strategies for any given LLM. Integrating these rules into Redco facilitates effortless distributed LLM training and inference, eliminating the need of additional coding or complex configurations. We demonstrate the effectiveness by applying Redco on a set of LLM architectures, such as GPT-J, LLaMA, T5, and OPT, up to the size of 66B. Secondly, we propose a mechanism that allows for the customization of diverse ML pipelines through the definition of merely three functions, eliminating redundant and formulaic code like multi-host related processing. This mechanism proves adaptable across a spectrum of ML algorithms, from foundational language modeling to complex algorithms like meta-learning and reinforcement learning. Consequently, Redco implementations exhibit much fewer code lines compared to their official counterparts.

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

The prevailing paradigm for scaling large language models (LLMs) involves monolithic, end-to-end training, a resource-intensive process that lacks flexibility. This paper explores an alternative, constructive approach to model development, built upon the foundation of non-trainable, deterministic input embeddings. In prior [1], we established that high-level semantic reasoning can emerge in Transformers using frozen embeddings derived from the visual structure of Unicode glyphs. Here, we demonstrate that this fixed representational substrate acts as a universal "docking port," enabling two powerful and efficient scaling paradigms: seamless modular composition and progressive layer-wise growth. First, we show that specialist models trained on disparate datasets (e.g., Russian and Chinese text) can be merged into a single, more capable Mixture-of-Experts (MoE) model, post-training, with zero architectural modification. This is achieved by simply averaging their output logits. The resulting MoE model exhibits immediate performance improvements on reasoning benchmarks like MMLU, surpassing its constituent experts without catastrophic forgetting. Second, we introduce a layer-wise constructive training methodology, where a deep Transformer is "grown" by progressively stacking and training one layer at a time. This method demonstrates stable convergence and a clear correlation between model depth and the emergence of complex reasoning abilities, such as those required for SQuAD. Our findings suggest a paradigm shift from monolithic optimization towards a more biological or constructive model of AI development, where complexity is built incrementally and modules can be composed freely. This opens new avenues for resource-efficient scaling, continual learning, and a more democratized ecosystem for building powerful AI systems. We release all code and models to facilitate further research.

We investigate large language model performance across five orders of magnitude of compute scaling in eleven recent model architectures. We show that average benchmark performance, aggregating over many individual tasks and evaluations as in the commonly-used BIG-Bench dataset, is decently predictable as a function of training compute scale. Specifically, when extrapolating BIG-Bench Hard performance across one order of magnitude in compute, we observe average absolute errors of 6 percentage points (pp). By contrast, extrapolation for individual BIG-Bench tasks across an order of magnitude in compute yields higher average errors of 18pp. Nonetheless, individual task performance remains significantly more predictable than chance. Overall, our work suggests compute scaling provides a promising basis to forecast AI capabilities in diverse benchmarks, though predicting performance in specific tasks poses challenges.

As artificial intelligence becomes increasingly intelligent---in some cases, achieving superhuman performance---there is growing potential for humans to learn from and collaborate with algorithms. However, the ways in which AI systems approach problems are often different from the ways people do, and thus may be uninterpretable and hard to learn from. A crucial step in bridging this gap between human and artificial intelligence is modeling the granular actions that constitute human behavior, rather than simply matching aggregate human performance. We pursue this goal in a model system with a long history in artificial intelligence: chess. The aggregate performance of a chess player unfolds as they make decisions over the course of a game. The hundreds of millions of games played online by players at every skill level form a rich source of data in which these decisions, and their exact context, are recorded in minute detail. Applying existing chess engines to this data, including an open-source implementation of AlphaZero, we find that they do not predict human moves well. We develop and introduce Maia, a customized version of Alpha-Zero trained on human chess games, that predicts human moves at a much higher accuracy than existing engines, and can achieve maximum accuracy when predicting decisions made by players at a specific skill level in a tuneable way. For a dual task of predicting whether a human will make a large mistake on the next move, we develop a deep neural network that significantly outperforms competitive baselines. Taken together, our results suggest that there is substantial promise in designing artificial intelligence systems with human collaboration in mind by first accurately modeling granular human decision-making.

Artificial intelligence (AI) enables machines to learn from human experience, adjust to new inputs, and perform human-like tasks. AI is progressing rapidly and is transforming the way businesses operate, from process automation to cognitive augmentation of tasks and intelligent process/data analytics. However, the main challenge for human users would be to understand and appropriately trust the result of AI algorithms and methods. In this paper, to address this challenge, we study and analyze the recent work done in Explainable Artificial Intelligence (XAI) methods and tools. We introduce a novel XAI process, which facilitates producing explainable models while maintaining a high level of learning performance. We present an interactive evidence-based approach to assist human users in comprehending and trusting the results and output created by AI-enabled algorithms. We adopt a typical scenario in the Banking domain for analyzing customer transactions. We develop a digital dashboard to facilitate interacting with the algorithm results and discuss how the proposed XAI method can significantly improve the confidence of data scientists in understanding the result of AI-enabled algorithms.

In the realm of embodied artificial intelligence, the reasoning capabilities of Large Language Models (LLMs) play a pivotal role. Although there are effective methods like program-of-thought prompting for LLMs which uses programming language to tackle complex reasoning tasks, the specific impact of code data on the improvement of reasoning capabilities remains under-explored. To address this gap, we propose complexity-impacted reasoning score (CIRS), which combines structural and logical attributes, to measure the correlation between code and reasoning abilities. Specifically, we use the abstract syntax tree to encode the structural information and calculate logical complexity by considering the difficulty and the cyclomatic complexity. Through an empirical analysis, we find not all code data of complexity can be learned or understood by LLMs. Optimal level of complexity is critical to the improvement of reasoning abilities by program-aided prompting. Then we design an auto-synthesizing and stratifying algorithm, and apply it to instruction generation for mathematical reasoning and code data filtering for code generation tasks. Extensive results demonstrates the effectiveness of our proposed approach. Code will be integrated into the EasyInstruct framework at https://github.com/zjunlp/EasyInstruct.

Given the ubiquitous nature of numbers in text, reasoning with numbers to perform simple calculations is an important skill of AI systems. While many datasets and models have been developed to this end, state-of-the-art AI systems are brittle; failing to perform the underlying mathematical reasoning when they appear in a slightly different scenario. Drawing inspiration from GLUE that was proposed in the context of natural language understanding, we propose NumGLUE, a multi-task benchmark that evaluates the performance of AI systems on eight different tasks, that at their core require simple arithmetic understanding. We show that this benchmark is far from being solved with neural models including state-of-the-art large-scale language models performing significantly worse than humans (lower by 46.4%). Further, NumGLUE promotes sharing knowledge across tasks, especially those with limited training data as evidenced by the superior performance (average gain of 3.4% on each task) when a model is jointly trained on all the tasks as opposed to task-specific modeling. Finally, we hope that NumGLUE will encourage systems that perform robust and general arithmetic reasoning within language, a first step towards being able to perform more complex mathematical reasoning.

Recent generations of language models have introduced Large Reasoning Models (LRMs) that generate detailed thinking processes before providing answers. While these models demonstrate improved performance on reasoning benchmarks, their fundamental capabilities, scaling properties, and limitations remain insufficiently understood. Current evaluations primarily focus on established math and coding benchmarks, emphasizing final answer accuracy. However, this evaluation paradigm often suffers from contamination and does not provide insights into the reasoning traces. In this work, we systematically investigate these gaps with the help of controllable puzzle environments that allow precise manipulation of complexity while maintaining consistent logical structures. This setup enables the analysis of not only final answers but also the internal reasoning traces, offering insights into how LRMs think. Through extensive experiments, we show that LRMs face a complete accuracy collapse beyond certain complexities. Moreover, they exhibit a counterintuitive scaling limit: their reasoning effort increases with problem complexity up to a point, then declines despite having remaining token budget. By comparing LRMs with their standard LLM counterparts under same inference compute, we identify three performance regimes: (1) low-complexity tasks where standard models outperform LRMs, (2) medium-complexity tasks where LRMs demonstrates advantage, and (3) high-complexity tasks where both models face complete collapse. We found that LRMs have limitations in exact computation: they fail to use explicit algorithms and reason inconsistently across scales. We also investigate the reasoning traces in more depth, studying the patterns of explored solutions and analyzing the models' computational behavior, shedding light on their strengths, limitations, and raising questions about their reasoning capabilities.

We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach leverages human judgment to distinguish inputs which are algorithmically indistinguishable, or "look the same" to predictive algorithms. We argue that this framing clarifies the problem of human-AI collaboration in prediction tasks, as experts often form judgments by drawing on information which is not encoded in an algorithm's training data. Algorithmic indistinguishability yields a natural test for assessing whether experts incorporate this kind of "side information", and further provides a simple but principled method for selectively incorporating human feedback into algorithmic predictions. We show that this method provably improves the performance of any feasible algorithmic predictor and precisely quantify this improvement. We find empirically that although algorithms often outperform their human counterparts on average, human judgment can improve algorithmic predictions on specific instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. However, the landscape remains fragmented and lacks a unified taxonomy or comprehensive survey. Therefore, we present a side-by-side comparison of benchmarks developed between 2019 and 2025 that evaluate these models and agents across multiple domains. In addition, we propose a taxonomy of approximately 60 benchmarks that cover general and academic knowledge reasoning, mathematical problem-solving, code generation and software engineering, factual grounding and retrieval, domain-specific evaluations, multimodal and embodied tasks, task orchestration, and interactive assessments. Furthermore, we review AI-agent frameworks introduced between 2023 and 2025 that integrate large language models with modular toolkits to enable autonomous decision-making and multi-step reasoning. Moreover, we present real-world applications of autonomous AI agents in materials science, biomedical research, academic ideation, software engineering, synthetic data generation, chemical reasoning, mathematical problem-solving, geographic information systems, multimedia, healthcare, and finance. We then survey key agent-to-agent collaboration protocols, namely the Agent Communication Protocol (ACP), the Model Context Protocol (MCP), and the Agent-to-Agent Protocol (A2A). Finally, we discuss recommendations for future research, focusing on advanced reasoning strategies, failure modes in multi-agent LLM systems, automated scientific discovery, dynamic tool integration via reinforcement learning, integrated search capabilities, and security vulnerabilities in agent protocols.

The rapid advancement of large language models has fundamentally shifted the bottleneck in AI development from computational power to data availability-with countless valuable datasets remaining hidden across specialized repositories, research appendices, and domain platforms. As reasoning capabilities and deep research methodologies continue to evolve, a critical question emerges: can AI agents transcend conventional search to systematically discover any dataset that meets specific user requirements, enabling truly autonomous demand-driven data curation? We introduce DatasetResearch, the first comprehensive benchmark evaluating AI agents' ability to discover and synthesize datasets from 208 real-world demands across knowledge-intensive and reasoning-intensive tasks. Our tri-dimensional evaluation framework reveals a stark reality: even advanced deep research systems achieve only 22% score on our challenging DatasetResearch-pro subset, exposing the vast gap between current capabilities and perfect dataset discovery. Our analysis uncovers a fundamental dichotomy-search agents excel at knowledge tasks through retrieval breadth, while synthesis agents dominate reasoning challenges via structured generation-yet both catastrophically fail on "corner cases" outside existing distributions. These findings establish the first rigorous baseline for dataset discovery agents and illuminate the path toward AI systems capable of finding any dataset in the digital universe. Our benchmark and comprehensive analysis provide the foundation for the next generation of self-improving AI systems and are publicly available at https://github.com/GAIR-NLP/DatasetResearch.

With the advancement of large language models (LLMs), solving complex reasoning tasks has gained increasing attention. Inference-time computation methods (e.g., Best-of-N, beam search, et al.) are particularly valuable as they can enhance reasoning performance without modifying model parameters or requiring additional training. However, these techniques come with implementation challenges, and most existing methods remain at the proof-of-concept stage with limited practical adoption due to their computational complexity and varying effectiveness across different tasks. In this paper, we investigate and benchmark diverse inference-time computation strategies across reasoning tasks of varying complexity. Since most current methods rely on a proposer-verifier pipeline that first generates candidate solutions (e.g., reasoning solutions) and then selects the best one based on reward signals (e.g., RLHF rewards, process rewards), our research focuses on optimizing both candidate solution generation (e.g., instructing prompts, hyperparameters such as temperature and top-p) and reward mechanisms (e.g., self-evaluation, reward types). Through extensive experiments (more than 20,000 A100-80G GPU hours with over 1,000 experiments) across a variety of models (e.g., Llama, Qwen, and Mistral families) of various sizes, our ablation studies reveal that previously overlooked strategies can significantly enhance performance (e.g., tuning temperature can improve reasoning task performance by up to 5%). Furthermore, we establish a standardized benchmark for inference-time computation by systematically evaluating six representative methods across eight reasoning tasks. These findings provide a stronger foundation for future research. The code is available at https://github.com/usail-hkust/benchmark_inference_time_computation_LLM

The capacity of a neural network to absorb information is limited by its number of parameters. Conditional computation, where parts of the network are active on a per-example basis, has been proposed in theory as a way of dramatically increasing model capacity without a proportional increase in computation. In practice, however, there are significant algorithmic and performance challenges. In this work, we address these challenges and finally realize the promise of conditional computation, achieving greater than 1000x improvements in model capacity with only minor losses in computational efficiency on modern GPU clusters. We introduce a Sparsely-Gated Mixture-of-Experts layer (MoE), consisting of up to thousands of feed-forward sub-networks. A trainable gating network determines a sparse combination of these experts to use for each example. We apply the MoE to the tasks of language modeling and machine translation, where model capacity is critical for absorbing the vast quantities of knowledge available in the training corpora. We present model architectures in which a MoE with up to 137 billion parameters is applied convolutionally between stacked LSTM layers. On large language modeling and machine translation benchmarks, these models achieve significantly better results than state-of-the-art at lower computational cost.

In this paper, we investigate the intersection of large generative AI models and cloud-native computing architectures. Recent large models such as ChatGPT, while revolutionary in their capabilities, face challenges like escalating costs and demand for high-end GPUs. Drawing analogies between large-model-as-a-service (LMaaS) and cloud database-as-a-service (DBaaS), we describe an AI-native computing paradigm that harnesses the power of both cloud-native technologies (e.g., multi-tenancy and serverless computing) and advanced machine learning runtime (e.g., batched LoRA inference). These joint efforts aim to optimize costs-of-goods-sold (COGS) and improve resource accessibility. The journey of merging these two domains is just at the beginning and we hope to stimulate future research and development in this area.

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

Large language models (LLMs) have transformed code generation, yet their application in hardware design produces gate counts 38\%--1075\% higher than human designs. We present CircuitMind, a multi-agent framework that achieves human-competitive efficiency through three key innovations: syntax locking (constraining generation to basic logic gates), retrieval-augmented generation (enabling knowledge-driven design), and dual-reward optimization (balancing correctness with efficiency). To evaluate our approach, we introduce TC-Bench, the first gate-level benchmark harnessing collective intelligence from the TuringComplete ecosystem -- a competitive circuit design platform with hundreds of thousands of players. Experiments show CircuitMind enables 55.6\% of model implementations to match or exceed top-tier human experts in composite efficiency metrics. Most remarkably, our framework elevates the 14B Phi-4 model to outperform both GPT-4o mini and Gemini 2.0 Flash, achieving efficiency comparable to the top 25\% of human experts without requiring specialized training. These innovations establish a new paradigm for hardware optimization where collaborative AI systems leverage collective human expertise to achieve optimal circuit designs. Our model, data, and code are open-source at https://github.com/BUAA-CLab/CircuitMind.

The field of Explainable AI (XAI) is seeking to shed light on the inner workings of complex AI models and uncover the rationale behind their decisions. One of the models gaining attention are probabilistic circuits (PCs), which are a general and unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries. Probabilistic circuits guarantee inference that is polynomial in the size of the circuit. In this paper, we improve the explainability of probabilistic circuits by computing a comprehensible, readable logical theory that covers the high-density regions generated by a PC. To achieve this, pruning approaches based on generative significance are used in a new method called PUTPUT (Probabilistic circuit Understanding Through Pruning Underlying logical Theories). The method is applied to a real world use case where music playlists are automatically generated and expressed as readable (database) queries. Evaluation shows that this approach can effectively produce a comprehensible logical theory that describes the high-density regions of a PC and outperforms state of the art methods when exploring the performance-comprehensibility trade-off.