Daily Papers

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

Jupyter notebooks facilitate the bundling of executable code with its documentation and output in one interactive environment, and they represent a popular mechanism to document and share computational workflows. The reproducibility of computational aspects of research is a key component of scientific reproducibility but has not yet been assessed at scale for Jupyter notebooks associated with biomedical publications. We address computational reproducibility at two levels: First, using fully automated workflows, we analyzed the computational reproducibility of Jupyter notebooks related to publications indexed in PubMed Central. We identified such notebooks by mining the articles full text, locating them on GitHub and re-running them in an environment as close to the original as possible. We documented reproduction success and exceptions and explored relationships between notebook reproducibility and variables related to the notebooks or publications. Second, this study represents a reproducibility attempt in and of itself, using essentially the same methodology twice on PubMed Central over two years. Out of 27271 notebooks from 2660 GitHub repositories associated with 3467 articles, 22578 notebooks were written in Python, including 15817 that had their dependencies declared in standard requirement files and that we attempted to re-run automatically. For 10388 of these, all declared dependencies could be installed successfully, and we re-ran them to assess reproducibility. Of these, 1203 notebooks ran through without any errors, including 879 that produced results identical to those reported in the original notebook and 324 for which our results differed from the originally reported ones. Running the other notebooks resulted in exceptions. We zoom in on common problems, highlight trends and discuss potential improvements to Jupyter-related workflows associated with biomedical publications.

Computational workloads composing traditional Transformer models are starkly bifurcated. Multi-Head Attention (MHA) is memory-bound, with low arithmetic intensity, while feedforward layers are compute-bound. This dichotomy has long motivated research into specialized hardware to mitigate the MHA bottleneck. This paper argues that recent architectural shifts, namely Multi-head Latent Attention (MLA) and Mixture-of-Experts (MoE), challenge the premise of specialized attention hardware. We make two key observations. First, the arithmetic intensity of MLA is over two orders of magnitude greater than that of MHA, shifting it close to a compute-bound regime well-suited for modern accelerators like GPUs. Second, by distributing MoE experts across a pool of accelerators, their arithmetic intensity can be tuned through batching to match that of the dense layers, creating a more balanced computational profile. These findings reveal a diminishing need for specialized attention hardware. The central challenge for next-generation Transformers is no longer accelerating a single memory-bound layer. Instead, the focus must shift to designing balanced systems with sufficient compute, memory capacity, memory bandwidth, and high-bandwidth interconnects to manage the diverse demands of large-scale models.

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

Deep reinforcement learning (DRL) algorithms require substantial samples and computational resources to achieve higher performance, which restricts their practical application and poses challenges for further development. Given the constraint of limited resources, it is essential to leverage existing computational work (e.g., learned policies, samples) to enhance sample efficiency and reduce the computational resource consumption of DRL algorithms. Previous works to leverage existing computational work require intrusive modifications to existing algorithms and models, designed specifically for specific algorithms, lacking flexibility and universality. In this paper, we present the Snapshot Reinforcement Learning (SnapshotRL) framework, which enhances sample efficiency by simply altering environments, without making any modifications to algorithms and models. By allowing student agents to choose states in teacher trajectories as the initial state to sample, SnapshotRL can effectively utilize teacher trajectories to assist student agents in training, allowing student agents to explore a larger state space at the early training phase. We propose a simple and effective SnapshotRL baseline algorithm, S3RL, which integrates well with existing DRL algorithms. Our experiments demonstrate that integrating S3RL with TD3, SAC, and PPO algorithms on the MuJoCo benchmark significantly improves sample efficiency and average return, without extra samples and additional computational resources.

Large Language Models (LLMs) face significant computational bottlenecks during inference due to the quadratic complexity of self-attention mechanisms, particularly as context lengths increase. We introduce SpecAttn, a novel training-free approach that seamlessly integrates with existing speculative decoding techniques to enable efficient sparse attention in pre-trained transformers. Our key insight is to exploit the attention weights already computed by the draft model during speculative decoding to identify important tokens for the target model, eliminating redundant computation while maintaining output quality. SpecAttn employs three core techniques: KL divergence-based layer alignment between draft and target models, a GPU-optimized sorting-free algorithm for top-p token selection from draft attention patterns, and dynamic key-value cache pruning guided by these predictions. By leveraging the computational work already performed in standard speculative decoding pipelines, SpecAttn achieves over 75% reduction in key-value cache accesses with a mere 15.29% increase in perplexity on the PG-19 dataset, significantly outperforming existing sparse attention methods. Our approach demonstrates that speculative execution can be enhanced to provide approximate verification without significant performance degradation.

Reinforcement Learning from Human Feedback (RLHF) stands as a pivotal technique in empowering large language model (LLM) applications. Since RLHF involves diverse computational workloads and intricate dependencies among multiple LLMs, directly adopting parallelization techniques from supervised training can result in sub-optimal performance. To overcome this limitation, we propose a novel approach named parameter ReaLlocation, which dynamically redistributes LLM parameters in the cluster and adapts parallelization strategies during training. Building upon this idea, we introduce ReaLHF, a pioneering system capable of automatically discovering and running efficient execution plans for RLHF training given the desired algorithmic and hardware configurations. ReaLHF formulates the execution plan for RLHF as an augmented dataflow graph. Based on this formulation, ReaLHF employs a tailored search algorithm with a lightweight cost estimator to discover an efficient execution plan. Subsequently, the runtime engine deploys the selected plan by effectively parallelizing computations and redistributing parameters. We evaluate ReaLHF on the LLaMA-2 models with up to 4times70 billion parameters and 128 GPUs. The experiment results showcase ReaLHF's substantial speedups of 2.0-10.6times compared to baselines. Furthermore, the execution plans generated by ReaLHF exhibit an average of 26% performance improvement over heuristic approaches based on Megatron-LM. The source code of ReaLHF is publicly available at https://github.com/openpsi-project/ReaLHF .

Sports competitions are widely researched in computer and social science, with the goal of understanding how players act under uncertainty. While there is an abundance of computational work on player metrics prediction based on past performance, very few attempts to incorporate out-of-game signals have been made. Specifically, it was previously unclear whether linguistic signals gathered from players' interviews can add information which does not appear in performance metrics. To bridge that gap, we define text classification tasks of predicting deviations from mean in NBA players' in-game actions, which are associated with strategic choices, player behavior and risk, using their choice of language prior to the game. We collected a dataset of transcripts from key NBA players' pre-game interviews and their in-game performance metrics, totalling in 5,226 interview-metric pairs. We design neural models for players' action prediction based on increasingly more complex aspects of the language signals in their open-ended interviews. Our models can make their predictions based on the textual signal alone, or on a combination with signals from past-performance metrics. Our text-based models outperform strong baselines trained on performance metrics only, demonstrating the importance of language usage for action prediction. Moreover, the models that employ both textual input and past-performance metrics produced the best results. Finally, as neural networks are notoriously difficult to interpret, we propose a method for gaining further insight into what our models have learned. Particularly, we present an LDA-based analysis, where we interpret model predictions in terms of correlated topics. We find that our best performing textual model is most associated with topics that are intuitively related to each prediction task and that better models yield higher correlation with more informative topics.

As computational demands continue to rise, assessing the environmental footprint of AI requires moving beyond energy and water consumption to include the material demands of specialized hardware. This study quantifies the material footprint of AI training by linking computational workloads to physical hardware needs. The elemental composition of the Nvidia A100 SXM 40 GB graphics processing unit (GPU) was analyzed using inductively coupled plasma optical emission spectroscopy, which identified 32 elements. The results show that AI hardware consists of about 90% heavy metals and only trace amounts of precious metals. The elements copper, iron, tin, silicon, and nickel dominate the GPU composition by mass. In a multi-step methodology, we integrate these measurements with computational throughput per GPU across varying lifespans, accounting for the computational requirements of training specific AI models at different training efficiency regimes. Scenario-based analyses reveal that, depending on Model FLOPs Utilization (MFU) and hardware lifespan, training GPT-4 requires between 1,174 and 8,800 A100 GPUs, corresponding to the extraction and eventual disposal of up to 7 tons of toxic elements. Combined software and hardware optimization strategies can reduce material demands: increasing MFU from 20% to 60% lowers GPU requirements by 67%, while extending lifespan from 1 to 3 years yields comparable savings; implementing both measures together reduces GPU needs by up to 93%. Our findings highlight that incremental performance gains, such as those observed between GPT-3.5 and GPT-4, come at disproportionately high material costs. The study underscores the necessity of incorporating material resource considerations into discussions of AI scalability, emphasizing that future progress in AI must align with principles of resource efficiency and environmental responsibility.

Decentralized learning offers a promising approach to crowdsource data consumptions and computational workloads across geographically distributed compute interconnected through peer-to-peer networks, accommodating the exponentially increasing demands. However, proper incentives are still in absence, considerably discouraging participation. Our vision is that a fair incentive mechanism relies on fair attribution of contributions to participating nodes, which faces non-trivial challenges arising from the localized connections making influence ``cascade'' in a decentralized network. To overcome this, we design the first method to estimate Data Influence CascadE (DICE) in a decentralized environment. Theoretically, the framework derives tractable approximations of influence cascade over arbitrary neighbor hops, suggesting the influence cascade is determined by an interplay of data, communication topology, and the curvature of loss landscape. DICE also lays the foundations for applications including selecting suitable collaborators and identifying malicious behaviors. Project page is available at https://raiden-zhu.github.io/blog/2025/DICE/.

Transformers have emerged as the underpinning architecture for Large Language Models (LLMs). In generative language models, the inference process involves two primary phases: prompt processing and token generation. Token generation, which constitutes the majority of the computational workload, primarily entails vector-matrix multiplications and interactions with the Key-Value (KV) Cache. This phase is constrained by memory bandwidth due to the overhead of transferring weights and KV cache values from the memory system to the computing units. This memory bottleneck becomes particularly pronounced in applications that require long-context and extensive text generation, both of which are increasingly crucial for LLMs. This paper introduces "Keyformer", an innovative inference-time approach, to mitigate the challenges associated with KV cache size and memory bandwidth utilization. Keyformer leverages the observation that approximately 90% of the attention weight in generative inference focuses on a specific subset of tokens, referred to as "key" tokens. Keyformer retains only the key tokens in the KV cache by identifying these crucial tokens using a novel score function. This approach effectively reduces both the KV cache size and memory bandwidth usage without compromising model accuracy. We evaluate Keyformer's performance across three foundational models: GPT-J, Cerebras-GPT, and MPT, which employ various positional embedding algorithms. Our assessment encompasses a variety of tasks, with a particular emphasis on summarization and conversation tasks involving extended contexts. Keyformer's reduction of KV cache reduces inference latency by 2.1x and improves token generation throughput by 2.4x, while preserving the model's accuracy.

Expert parallelism has been introduced as a strategy to distribute the computational workload of sparsely-gated mixture-of-experts (MoE) models across multiple computing devices, facilitating the execution of these increasingly large-scale models. However, the All-to-All communication intrinsic to expert parallelism constitutes a significant overhead, diminishing the MoE models' efficiency. Current optimization approaches offer some relief, yet they are constrained by the sequential interdependence of communication and computation operations. To address this limitation, we present a novel shortcut-connected MoE architecture with overlapping parallel strategy, designated as ScMoE, which effectively decouples communication from its conventional sequence, allowing for a substantial overlap of 70% to 100% with computation. When compared with the prevalent top-2 MoE architecture, ScMoE demonstrates training speed improvements of 30% and 11%, and inference improvements of 40% and 15%, in our PCIe and NVLink hardware environments, respectively, where communication constitutes 60% and 15% of the total MoE time consumption. On the other hand, extensive experiments and theoretical analyses indicate that ScMoE not only achieves comparable but in some instances surpasses the model quality of existing approaches in vision and language tasks.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains underexplored. As the major workhorse of computational science over the past decades, Computational Fluid Dynamics (CFD) offers a uniquely challenging testbed for evaluating the scientific capabilities of LLMs. We introduce CFDLLMBench, a benchmark suite comprising three complementary components -- CFDQuery, CFDCodeBench, and FoamBench -- designed to holistically evaluate LLM performance across three key competencies: graduate-level CFD knowledge, numerical and physical reasoning of CFD, and context-dependent implementation of CFD workflows. Grounded in real-world CFD practices, our benchmark combines a detailed task taxonomy with a rigorous evaluation framework to deliver reproducible results and quantify LLM performance across code executability, solution accuracy, and numerical convergence behavior. CFDLLMBench establishes a solid foundation for the development and evaluation of LLM-driven automation of numerical experiments for complex physical systems. Code and data are available at https://github.com/NREL-Theseus/cfdllmbench/.

Offline paired preference optimization algorithms have become a popular approach for fine-tuning on preference data, outperforming traditional supervised fine-tuning in various tasks. However, traditional implementations often involve redundant computations, especially for tasks with long shared prompts. We introduce prefix sharing for preference tuning, a novel technique that processes chosen and rejected responses as one sequence with a shared prefix. To prevent cross-response contamination, we use a custom block-sparse attention mask. Our method achieves 1.1-1.5times improvement in training throughput on popular DPO datasets, without any effect on convergence. When combined with sequence packing, we observe consistent 1.3-1.6times speedups, benefiting even datasets with smaller sequence lengths. While we focus on Direct Preference Optimization (DPO), our approach is applicable to other paired preference tuning methods. By enhancing computational efficiency, our work contributes to making preference-based fine-tuning more accessible for a wider range of applications and model sizes. We open-source our code at https://github.com/frankxwang/dpo-prefix-sharing.

Object segmentation is an important step in the workflow of computational pathology. Deep learning based models generally require large amount of labeled data for precise and reliable prediction. However, collecting labeled data is expensive because it often requires expert knowledge, particularly in medical imaging domain where labels are the result of a time-consuming analysis made by one or more human experts. As nuclei, cells and glands are fundamental objects for downstream analysis in computational pathology/cytology, in this paper we propose a simple CNN-based approach to speed up collecting annotations for these objects which requires minimum interaction from the annotator. We show that for nuclei and cells in histology and cytology images, one click inside each object is enough for NuClick to yield a precise annotation. For multicellular structures such as glands, we propose a novel approach to provide the NuClick with a squiggle as a guiding signal, enabling it to segment the glandular boundaries. These supervisory signals are fed to the network as auxiliary inputs along with RGB channels. With detailed experiments, we show that NuClick is adaptable to the object scale, robust against variations in the user input, adaptable to new domains, and delivers reliable annotations. An instance segmentation model trained on masks generated by NuClick achieved the first rank in LYON19 challenge. As exemplar outputs of our framework, we are releasing two datasets: 1) a dataset of lymphocyte annotations within IHC images, and 2) a dataset of segmented WBCs in blood smear images.

The dominant image-to-image translation methods are based on fully convolutional networks, which extract and translate an image's features and then reconstruct the image. However, they have unacceptable computational costs when working with high-resolution images. To this end, we present the Multi-Curve Translator (MCT), which not only predicts the translated pixels for the corresponding input pixels but also for their neighboring pixels. And if a high-resolution image is downsampled to its low-resolution version, the lost pixels are the remaining pixels' neighboring pixels. So MCT makes it possible to feed the network only the downsampled image to perform the mapping for the full-resolution image, which can dramatically lower the computational cost. Besides, MCT is a plug-in approach that utilizes existing base models and requires only replacing their output layers. Experiments demonstrate that the MCT variants can process 4K images in real-time and achieve comparable or even better performance than the base models on various photorealistic image-to-image translation tasks.

Conventional representation learning algorithms for knowledge graphs (KG) map each entity to a unique embedding vector. Such a shallow lookup results in a linear growth of memory consumption for storing the embedding matrix and incurs high computational costs when working with real-world KGs. Drawing parallels with subword tokenization commonly used in NLP, we explore the landscape of more parameter-efficient node embedding strategies with possibly sublinear memory requirements. To this end, we propose NodePiece, an anchor-based approach to learn a fixed-size entity vocabulary. In NodePiece, a vocabulary of subword/sub-entity units is constructed from anchor nodes in a graph with known relation types. Given such a fixed-size vocabulary, it is possible to bootstrap an encoding and embedding for any entity, including those unseen during training. Experiments show that NodePiece performs competitively in node classification, link prediction, and relation prediction tasks while retaining less than 10% of explicit nodes in a graph as anchors and often having 10x fewer parameters. To this end, we show that a NodePiece-enabled model outperforms existing shallow models on a large OGB WikiKG 2 graph having 70x fewer parameters.

Large Language Models (LLMs) have demonstrated strong capabilities in general-purpose code generation. However, generating the code which is deeply hardware-specific, architecture-aware, and performance-critical, especially for massively parallel GPUs, remains a complex challenge. In this work, we explore the use of LLMs for the automated generation and optimization of CUDA programs, with the goal of producing high-performance GPU kernels that fully exploit the underlying hardware. To address this challenge, we propose a novel framework called Feature Search and Reinforcement (FSR). FSR jointly optimizes compilation and functional correctness, as well as the runtime performance, which are validated through extensive and diverse test cases, and measured by actual kernel execution latency on the target GPU, respectively. This approach enables LLMs not only to generate syntactically and semantically correct CUDA code but also to iteratively refine it for efficiency, tailored to the characteristics of the GPU architecture. We evaluate FSR on representative CUDA kernels, covering AI workloads and computational intensive algorithms. Our results show that LLMs augmented with FSR consistently guarantee correctness rates. Meanwhile, the automatically generated kernels can outperform general human-written code by a factor of up to 179times in execution speeds. These findings highlight the potential of combining LLMs with performance reinforcement to automate GPU programming for hardware-specific, architecture-sensitive, and performance-critical applications.

TinyML is a novel area of machine learning that gained huge momentum in the last few years thanks to the ability to execute machine learning algorithms on tiny devices (such as Internet-of-Things or embedded systems). Interestingly, research in this area focused on the efficient execution of the inference phase of TinyML models on tiny devices, while very few solutions for on-device learning of TinyML models are available in the literature due to the relevant overhead introduced by the learning algorithms. The aim of this paper is to introduce a new type of adaptive TinyML solution that can be used in tasks, such as the presented Tiny Speaker Verification (TinySV), that require to be tackled with an on-device learning algorithm. Achieving this goal required (i) reducing the memory and computational demand of TinyML learning algorithms, and (ii) designing a TinyML learning algorithm operating with few and possibly unlabelled training data. The proposed TinySV solution relies on a two-layer hierarchical TinyML solution comprising Keyword Spotting and Adaptive Speaker Verification module. We evaluated the effectiveness and efficiency of the proposed TinySV solution on a dataset collected expressly for the task and tested the proposed solution on a real-world IoT device (Infineon PSoC 62S2 Wi-Fi BT Pioneer Kit).

Nowadays the medical domain is receiving more and more attention in applications involving Artificial Intelligence. Clinicians have to deal with an enormous amount of unstructured textual data to make a conclusion about patients' health in their everyday life. Argument mining helps to provide a structure to such data by detecting argumentative components in the text and classifying the relations between them. However, as it is the case for many tasks in Natural Language Processing in general and in medical text processing in particular, the large majority of the work on computational argumentation has been done only for English. This is also the case with the only dataset available for argumentation in the medical domain, namely, the annotated medical data of abstracts of Randomized Controlled Trials (RCT) from the MEDLINE database. In order to mitigate the lack of annotated data for other languages, we empirically investigate several strategies to perform argument mining and classification in medical texts for a language for which no annotated data is available. This project shows that automatically translating and project annotations from English to a target language (Spanish) is an effective way to generate annotated data without manual intervention. Furthermore, our experiments demonstrate that the translation and projection approach outperforms zero-shot cross-lingual approaches using a large masked multilingual language model. Finally, we show how the automatically generated data in Spanish can also be used to improve results in the original English evaluation setting.

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

LLMs have shown promise in replicating human-like behavior in crowdsourcing tasks that were previously thought to be exclusive to human abilities. However, current efforts focus mainly on simple atomic tasks. We explore whether LLMs can replicate more complex crowdsourcing pipelines. We find that modern LLMs can simulate some of crowdworkers' abilities in these "human computation algorithms," but the level of success is variable and influenced by requesters' understanding of LLM capabilities, the specific skills required for sub-tasks, and the optimal interaction modality for performing these sub-tasks. We reflect on human and LLMs' different sensitivities to instructions, stress the importance of enabling human-facing safeguards for LLMs, and discuss the potential of training humans and LLMs with complementary skill sets. Crucially, we show that replicating crowdsourcing pipelines offers a valuable platform to investigate (1) the relative strengths of LLMs on different tasks (by cross-comparing their performances on sub-tasks) and (2) LLMs' potential in complex tasks, where they can complete part of the tasks while leaving others to humans.

This research presents a computational social science approach to preserving Telugu Chandassu, the metrical poetry tradition representing centuries of collective cultural intelligence. We develop the first comprehensive digital framework for analyzing Telugu prosodic patterns, bridging traditional community knowledge with modern computational methods. Our social computing approach involves collaborative dataset creation of 4,651 annotated padyams, expert-validated linguistic patterns, and culturally-informed algorithmic design. The framework includes AksharamTokenizer for prosody-aware tokenization, LaghuvuGuruvu Generator for classifying light and heavy syllables, and PadyaBhedam Checker for automated pattern recognition. Our algorithm achieves 91.73% accuracy on the proposed Chandassu Score, with evaluation metrics reflecting traditional literary standards. This work demonstrates how computational social science can preserve endangered cultural knowledge systems while enabling new forms of collective intelligence around literary heritage. The methodology offers insights for community-centered approaches to cultural preservation, supporting broader initiatives in digital humanities and socially-aware computing systems.

Artificial neural networks have become a staple computing technique in many fields. Yet, they present fundamental differences with classical computing hardware in the way they process information. Photonic implementations of neural network architectures potentially offer fundamental advantages over their electronic counterparts in terms of speed, processing parallelism, scalability and energy efficiency. Scalable and high performance photonic neural networks (PNNs) have been demonstrated, yet they remain scarce. In this work, we study the performance of such a scalable, fully parallel and autonomous PNN based on a large area vertical-cavity surface-emitting laser (LA-VCSEL). We show how the performance varies with different physical parameters, namely, injection wavelength, injection power, and bias current. Furthermore, we link these physical parameters to the general computational measures of consistency and dimensionality. We present a general method of gauging dimensionality in high dimensional nonlinear systems subject to noise, which could be applied to many systems in the context of neuromorphic computing. Our work will inform future implementations of spatially multiplexed VCSEL PNNs.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

Simultaneous Localization and Mapping (SLAM) is pivotal in robotics, with photorealistic scene reconstruction emerging as a key challenge. To address this, we introduce Computational Alignment for Real-Time Gaussian Splatting SLAM (CaRtGS), a novel method enhancing the efficiency and quality of photorealistic scene reconstruction in real-time environments. Leveraging 3D Gaussian Splatting (3DGS), CaRtGS achieves superior rendering quality and processing speed, which is crucial for scene photorealistic reconstruction. Our approach tackles computational misalignment in Gaussian Splatting SLAM (GS-SLAM) through an adaptive strategy that optimizes training, addresses long-tail optimization, and refines densification. Experiments on Replica and TUM-RGBD datasets demonstrate CaRtGS's effectiveness in achieving high-fidelity rendering with fewer Gaussian primitives. This work propels SLAM towards real-time, photorealistic dense rendering, significantly advancing photorealistic scene representation. For the benefit of the research community, we release the code on our project website: https://dapengfeng.github.io/cartgs.

The brain has computational capabilities that surpass those of modern systems, being able to solve complex problems efficiently in a simple way. Neuromorphic engineering aims to mimic biology in order to develop new systems capable of incorporating such capabilities. Bio-inspired learning systems continue to be a challenge that must be solved, and much work needs to be done in this regard. Among all brain regions, the hippocampus stands out as an autoassociative short-term memory with the capacity to learn and recall memories from any fragment of them. These characteristics make the hippocampus an ideal candidate for developing bio-inspired learning systems that, in addition, resemble content-addressable memories. Therefore, in this work we propose a bio-inspired spiking content-addressable memory model based on the CA3 region of the hippocampus with the ability to learn, forget and recall memories, both orthogonal and non-orthogonal, from any fragment of them. The model was implemented on the SpiNNaker hardware platform using Spiking Neural Networks. A set of experiments based on functional, stress and applicability tests were performed to demonstrate its correct functioning. This work presents the first hardware implementation of a fully-functional bio-inspired spiking hippocampal content-addressable memory model, paving the way for the development of future more complex neuromorphic systems.

Large Language Models (LLMs) like ChatGPT are capable of successfully performing many language processing tasks zero-shot (without the need for training data). If this capacity also applies to the coding of social phenomena like persuasiveness and political ideology, then LLMs could effectively transform Computational Social Science (CSS). This work provides a road map for using LLMs as CSS tools. Towards this end, we contribute a set of prompting best practices and an extensive evaluation pipeline to measure the zero-shot performance of 13 language models on 24 representative CSS benchmarks. On taxonomic labeling tasks (classification), LLMs fail to outperform the best fine-tuned models but still achieve fair levels of agreement with humans. On free-form coding tasks (generation), LLMs produce explanations that often exceed the quality of crowdworkers' gold references. We conclude that today's LLMs can radically augment the CSS research pipeline in two ways: (1) serving as zero-shot data annotators on human annotation teams, and (2) bootstrapping challenging creative generation tasks (e.g., explaining the hidden meaning behind text). In summary, LLMs can significantly reduce costs and increase efficiency of social science analysis in partnership with humans.

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

Current Chain-of-Thought (CoT) verification methods predict reasoning correctness based on outputs (black-box) or activations (gray-box), but offer limited insight into why a computation fails. We introduce a white-box method: Circuit-based Reasoning Verification (CRV). We hypothesize that attribution graphs of correct CoT steps, viewed as execution traces of the model's latent reasoning circuits, possess distinct structural fingerprints from those of incorrect steps. By training a classifier on structural features of these graphs, we show that these traces contain a powerful signal of reasoning errors. Our white-box approach yields novel scientific insights unattainable by other methods. (1) We demonstrate that structural signatures of error are highly predictive, establishing the viability of verifying reasoning directly via its computational graph. (2) We find these signatures to be highly domain-specific, revealing that failures in different reasoning tasks manifest as distinct computational patterns. (3) We provide evidence that these signatures are not merely correlational; by using our analysis to guide targeted interventions on individual transcoder features, we successfully correct the model's faulty reasoning. Our work shows that, by scrutinizing a model's computational process, we can move from simple error detection to a deeper, causal understanding of LLM reasoning.

Correlative computational microscopy is accelerating the mapping of dynamic biological systems by integrating morphological and molecular measurements across spatial scales, from organelles to entire organisms. Visualization, measurement, and prediction of interactions among the components of biological systems can be accelerated by generalist computational imaging frameworks that relax the trade-offs imposed by multiplex dynamic imaging. This work reports a generalist framework for wave optical imaging of the architectural order (waveOrder) among biomolecules for encoding and decoding multiple specimen properties from a minimal set of acquired channels, with or without fluorescent labels. waveOrder expresses material properties in terms of elegant physically motivated basis vectors directly interpretable as phase, absorption, birefringence, diattenuation, and fluorophore density; and it expresses image data in terms of directly measurable Stokes parameters. We report a corresponding multi-channel reconstruction algorithm to recover specimen properties in multiple contrast modes. With this framework, we implement multiple 3D computational microscopy methods, including quantitative phase imaging, quantitative label-free imaging with phase and polarization, and fluorescence deconvolution imaging, across scales ranging from organelles to whole zebrafish. These advances are available via an extensible open-source computational imaging library, waveOrder, and a napari plugin, recOrder.

Reinforcement learning often needs to deal with the exponential growth of states and actions when exploring optimal control in high-dimensional spaces (often known as the curse of dimensionality). In this work, we address this issue by learning the inherent structure of action-wise similar MDP to appropriately balance the performance degradation versus sample/computational complexity. In particular, we partition the action spaces into multiple groups based on the similarity in transition distribution and reward function, and build a linear decomposition model to capture the difference between the intra-group transition kernel and the intra-group rewards. Both our theoretical analysis and experiments reveal a surprising and counter-intuitive result: while a more refined grouping strategy can reduce the approximation error caused by treating actions in the same group as identical, it also leads to increased estimation error when the size of samples or the computation resources is limited. This finding highlights the grouping strategy as a new degree of freedom that can be optimized to minimize the overall performance loss. To address this issue, we formulate a general optimization problem for determining the optimal grouping strategy, which strikes a balance between performance loss and sample/computational complexity. We further propose a computationally efficient method for selecting a nearly-optimal grouping strategy, which maintains its computational complexity independent of the size of the action space.

Computational Fluid Dynamics (CFD) is an essential simulation tool in various engineering disciplines, but it often requires substantial domain expertise and manual configuration, creating barriers to entry. We present Foam-Agent, a multi-agent framework that automates complex OpenFOAM-based CFD simulation workflows from natural language inputs. Our innovation includes (1) a hierarchical multi-index retrieval system with specialized indices for different simulation aspects, (2) a dependency-aware file generation system that provides consistency management across configuration files, and (3) an iterative error correction mechanism that diagnoses and resolves simulation failures without human intervention. Through comprehensive evaluation on the dataset of 110 simulation tasks, Foam-Agent achieves an 83.6% success rate with Claude 3.5 Sonnet, significantly outperforming existing frameworks (55.5% for MetaOpenFOAM and 37.3% for OpenFOAM-GPT). Ablation studies demonstrate the critical contribution of each system component, with the specialized error correction mechanism providing a 36.4% performance improvement. Foam-Agent substantially lowers the CFD expertise threshold while maintaining modeling accuracy, demonstrating the potential of specialized multi-agent systems to democratize access to complex scientific simulation tools. The code is public at https://github.com/csml-rpi/Foam-Agent

As the artificial intelligence (AI) supply chain grows more complex, AI systems and models are increasingly likely to incorporate externally-sourced ingredients such as datasets and other models. In such cases, determining whether or not an AI system or model complies with the EU AI Act will require gathering compliance-related metadata about both the AI system or model at-large as well as those externally-supplied ingredients. There must then be an analysis that looks across all of this metadata to render a prediction about the compliance of the overall AI system or model. Up until now, this process has not been automated. Thus, it has not been possible to make real-time compliance determinations in scenarios where doing so would be advantageous, such as the iterative workflows of today's AI developers, search and acquisition of AI ingredients on communities like Hugging Face, federated and continuous learning, and more. To address this shortcoming, we introduce a highly automated system for AI Act compliance analysis. This system has two key elements. First is an interlocking set of computational artifacts that capture compliance-related metadata about both: (1) the AI system or model at-large; (2) any constituent ingredients such as datasets and models. Second is an automated analysis algorithm that operates across those computational artifacts to render a run-time prediction about whether or not the overall AI system or model complies with the AI Act. Working together, these elements promise to enhance and accelerate AI Act compliance assessments.

Social networks are creating a digital world in which the cognitive, emotional, and pragmatic value of the imagery of human faces and bodies is arguably changing. However, researchers in the digital humanities are often ill-equipped to study these phenomena at scale. This work presents FRESCO (Face Representation in E-Societies through Computational Observation), a framework designed to explore the socio-cultural implications of images on social media platforms at scale. FRESCO deconstructs images into numerical and categorical variables using state-of-the-art computer vision techniques, aligning with the principles of visual semiotics. The framework analyzes images across three levels: the plastic level, encompassing fundamental visual features like lines and colors; the figurative level, representing specific entities or concepts; and the enunciation level, which focuses particularly on constructing the point of view of the spectator and observer. These levels are analyzed to discern deeper narrative layers within the imagery. Experimental validation confirms the reliability and utility of FRESCO, and we assess its consistency and precision across two public datasets. Subsequently, we introduce the FRESCO score, a metric derived from the framework's output that serves as a reliable measure of similarity in image content.

The advent of pre-trained Language Models (LMs) has markedly advanced natural language processing, but their efficacy in out-of-distribution (OOD) scenarios remains a significant challenge. Computational argumentation (CA), modeling human argumentation processes, is a field notably impacted by these challenges because complex annotation schemes and high annotation costs naturally lead to resources barely covering the multiplicity of available text sources and topics. Due to this data scarcity, generalization to data from uncovered covariant distributions is a common challenge for CA tasks like stance detection or argument classification. This work systematically assesses LMs' capabilities for such OOD scenarios. While previous work targets specific OOD types like topic shifts or OOD uniformly, we address three prevalent OOD scenarios in CA: topic shift, domain shift, and language shift. Our findings challenge the previously asserted general superiority of in-context learning (ICL) for OOD. We find that the efficacy of such learning paradigms varies with the type of OOD. Specifically, while ICL excels for domain shifts, prompt-based fine-tuning surpasses for topic shifts. To sum up, we navigate the heterogeneity of OOD scenarios in CA and empirically underscore the potential of base-sized LMs in overcoming these challenges.

With the rapid advancements in multimodal generative technology, Affective Computing research has provoked discussion about the potential consequences of AI systems equipped with emotional intelligence. Affective Computing involves the design, evaluation, and implementation of Emotion AI and related technologies aimed at improving people's lives. Designing a computational model in affective computing requires vast amounts of multimodal data, including RGB images, video, audio, text, and physiological signals. Moreover, Affective Computing research is deeply engaged with ethical considerations at various stages-from training emotionally intelligent models on large-scale human data to deploying these models in specific applications. Fundamentally, the development of any AI system must prioritize its impact on humans, aiming to augment and enhance human abilities rather than replace them, while drawing inspiration from human intelligence in a safe and responsible manner. The MRAC 2024 Track 1 workshop seeks to extend these principles from controlled, small-scale lab environments to real-world, large-scale contexts, emphasizing responsible development. The workshop also aims to highlight the potential implications of generative technology, along with the ethical consequences of its use, to researchers and industry professionals. To the best of our knowledge, this is the first workshop series to comprehensively address the full spectrum of multimodal, generative affective computing from a responsible AI perspective, and this is the second iteration of this workshop. Webpage: https://react-ws.github.io/2024/

Most existing learning-based methods for solving imaging inverse problems can be roughly divided into two classes: iterative algorithms, such as plug-and-play and diffusion methods, that leverage pretrained denoisers, and unrolled architectures that are trained end-to-end for specific imaging problems. Iterative methods in the first class are computationally costly and often provide suboptimal reconstruction performance, whereas unrolled architectures are generally specific to a single inverse problem and require expensive training. In this work, we propose a novel non-iterative, lightweight architecture that incorporates knowledge about the forward operator (acquisition physics and noise parameters) without relying on unrolling. Our model is trained to solve a wide range of inverse problems beyond denoising, including deblurring, magnetic resonance imaging, computed tomography, inpainting, and super-resolution. The proposed model can be easily adapted to unseen inverse problems or datasets with a few fine-tuning steps (up to a few images) in a self-supervised way, without ground-truth references. Throughout a series of experiments, we demonstrate state-of-the-art performance from medical imaging to low-photon imaging and microscopy.

Computational notebooks such as Jupyter Notebook have become data scientists' de facto programming environments. Many visualization researchers and practitioners have developed interactive visualization tools that support notebooks. However, little is known about the appropriate design of visual analytics (VA) tools in notebooks. To bridge this critical research gap, we investigate the design strategies in this space by analyzing 159 notebook VA tools and their users' feedback. Our analysis encompasses 62 systems from academic papers and 103 systems sourced from a pool of 55k notebooks containing interactive visualizations that we obtain via scraping 8.6 million notebooks on GitHub. We also examine findings from 15 user studies and user feedback in 379 GitHub issues. Through this work, we identify unique design opportunities and considerations for future notebook VA tools, such as using and manipulating multimodal data in notebooks as well as balancing the degree of visualization-notebook integration. Finally, we develop SuperNOVA, an open-source interactive tool to help researchers explore existing notebook VA tools and search for related work.

Multiple instance learning (MIL) is the most widely used framework in computational pathology, encompassing sub-typing, diagnosis, prognosis, and more. However, the existing MIL paradigm typically requires an offline instance feature extractor, such as a pre-trained ResNet or a foundation model. This approach lacks the capability for feature fine-tuning within the specific downstream tasks, limiting its adaptability and performance. To address this issue, we propose a Re-embedded Regional Transformer (R^2T) for re-embedding the instance features online, which captures fine-grained local features and establishes connections across different regions. Unlike existing works that focus on pre-training powerful feature extractor or designing sophisticated instance aggregator, R^2T is tailored to re-embed instance features online. It serves as a portable module that can seamlessly integrate into mainstream MIL models. Extensive experimental results on common computational pathology tasks validate that: 1) feature re-embedding improves the performance of MIL models based on ResNet-50 features to the level of foundation model features, and further enhances the performance of foundation model features; 2) the R^2T can introduce more significant performance improvements to various MIL models; 3) R^2T-MIL, as an R^2T-enhanced AB-MIL, outperforms other latest methods by a large margin.The code is available at: https://github.com/DearCaat/RRT-MIL.

Pre-trained encoders for offline feature extraction followed by multiple instance learning (MIL) aggregators have become the dominant paradigm in computational pathology (CPath), benefiting cancer diagnosis and prognosis. However, performance limitations arise from the absence of encoder fine-tuning for downstream tasks and disjoint optimization with MIL. While slide-level supervised end-to-end (E2E) learning is an intuitive solution to this issue, it faces challenges such as high computational demands and suboptimal results. These limitations motivate us to revisit E2E learning. We argue that prior work neglects inherent E2E optimization challenges, leading to performance disparities compared to traditional two-stage methods. In this paper, we pioneer the elucidation of optimization challenge caused by sparse-attention MIL and propose a novel MIL called ABMILX. It mitigates this problem through global correlation-based attention refinement and multi-head mechanisms. With the efficient multi-scale random patch sampling strategy, an E2E trained ResNet with ABMILX surpasses SOTA foundation models under the two-stage paradigm across multiple challenging benchmarks, while remaining computationally efficient (<10 RTX3090 hours). We show the potential of E2E learning in CPath and calls for greater research focus in this area. The code is https://github.com/DearCaat/E2E-WSI-ABMILX.

Automation of humor detection and rating has interesting use cases in modern technologies, such as humanoid robots, chatbots, and virtual assistants. In this paper, we propose a novel approach for detecting and rating humor in short texts based on a popular linguistic theory of humor. The proposed technical method initiates by separating sentences of the given text and utilizing the BERT model to generate embeddings for each one. The embeddings are fed to separate lines of hidden layers in a neural network (one line for each sentence) to extract latent features. At last, the parallel lines are concatenated to determine the congruity and other relationships between the sentences and predict the target value. We accompany the paper with a novel dataset for humor detection consisting of 200,000 formal short texts. In addition to evaluating our work on the novel dataset, we participated in a live machine learning competition focused on rating humor in Spanish tweets. The proposed model obtained F1 scores of 0.982 and 0.869 in the humor detection experiments which outperform general and state-of-the-art models. The evaluation performed on two contrasting settings confirm the strength and robustness of the model and suggests two important factors in achieving high accuracy in the current task: 1) usage of sentence embeddings and 2) utilizing the linguistic structure of humor in designing the proposed model.

The advent of foundation models (FMs) as an emerging suite of AI techniques has struck a wave of opportunities in computational healthcare. The interactive nature of these models, guided by pre-training data and human instructions, has ignited a data-centric AI paradigm that emphasizes better data characterization, quality, and scale. In healthcare AI, obtaining and processing high-quality clinical data records has been a longstanding challenge, ranging from data quantity, annotation, patient privacy, and ethics. In this survey, we investigate a wide range of data-centric approaches in the FM era (from model pre-training to inference) towards improving the healthcare workflow. We discuss key perspectives in AI security, assessment, and alignment with human values. Finally, we offer a promising outlook of FM-based analytics to enhance the performance of patient outcome and clinical workflow in the evolving landscape of healthcare and medicine. We provide an up-to-date list of healthcare-related foundation models and datasets at https://github.com/Yunkun-Zhang/Data-Centric-FM-Healthcare .

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

Training large language models (LLMs) with increasingly long and varying sequence lengths introduces severe load imbalance challenges in large-scale data-parallel training. Recent frameworks attempt to mitigate these issues through data reorganization or hybrid parallel strategies. However, they often overlook how computational and communication costs scale with sequence length, resulting in suboptimal performance. We identify three critical challenges: (1) varying computation-to-communication ratios across sequences of different lengths in distributed attention, (2) mismatch between static NIC-GPU affinity and dynamic parallel workloads, and (3) distinct optimal partitioning strategies required for quadratic attention versus linear components. To address these challenges, we present Zeppelin, a novel training system that integrates three key techniques: (1) a hierarchical sequence partitioning method for the attention module that reduces communication overhead and balances computation, supported by an efficient attention engine that applies divergent parallel strategies; (2) a routing layer that orchestrates inter-node transfers to fully utilize NIC bandwidth; and (3) a remapping layer that transforms sequence layouts between attention and linear modules, ensuring high computational efficiency across both. Comprehensive evaluations across diverse configurations show that Zeppelin delivers an average 2.80x speedup over state-of-the-art methods.

Configuring computational fluid dynamics (CFD) simulations typically demands extensive domain expertise, limiting broader access. Although large language models (LLMs) have advanced scientific computing, their use in automating CFD workflows is underdeveloped. We introduce a novel approach centered on domain-specific LLM adaptation. By fine-tuning Qwen2.5-7B-Instruct on NL2FOAM, our custom dataset of 28716 natural language-to-OpenFOAM configuration pairs with chain-of-thought (CoT) annotations, we enable direct translation from natural language descriptions to executable CFD setups. A multi-agent framework orchestrates the process, autonomously verifying inputs, generating configurations, running simulations, and correcting errors. Evaluation on a benchmark of 21 diverse flow cases demonstrates state-of-the-art performance, achieving 88.7% solution accuracy and 82.6% first-attempt success rate. This significantly outperforms larger general-purpose models like Qwen2.5-72B-Instruct, DeepSeek-R1, and Llama3.3-70B-Instruct, while also requiring fewer correction iterations and maintaining high computational efficiency. The results highlight the critical role of domain-specific adaptation in deploying LLM assistants for complex engineering workflows. Our code and fine-tuned model have been deposited at https://github.com/YYgroup/AutoCFD.

Machine Learning (ML) has the potential to revolutionise the field of automotive aerodynamics, enabling split-second flow predictions early in the design process. However, the lack of open-source training data for realistic road cars, using high-fidelity CFD methods, represents a barrier to their development. To address this, a high-fidelity open-source (CC-BY-SA) public dataset for automotive aerodynamics has been generated, based on 500 parametrically morphed variants of the widely-used DrivAer notchback generic vehicle. Mesh generation and scale-resolving CFD was executed using consistent and validated automatic workflows representative of the industrial state-of-the-art. Geometries and rich aerodynamic data are published in open-source formats. To our knowledge, this is the first large, public-domain dataset for complex automotive configurations generated using high-fidelity CFD.

Recent work investigates whether LMs learn human-like linguistic generalizations and representations from developmentally plausible amounts of data. Yet, the basic linguistic units processed in these LMs are determined by subword-based tokenization, which limits their validity as models of learning at and below the word level. In this paper, we explore the potential of tokenization-free, phoneme- and grapheme-based language models. We demonstrate that small models based on the Llama architecture can achieve strong linguistic performance on standard syntactic and novel lexical/phonetic benchmarks when trained with character-level vocabularies. We further show that phoneme-based models almost match grapheme-based models in standard tasks and novel evaluations. Our findings suggest a promising direction for creating more linguistically plausible language models that are better suited for computational studies of language acquisition and processing.

In natural language processing, a recently popular line of work explores how to best report the experimental results of neural networks. One exemplar publication, titled "Show Your Work: Improved Reporting of Experimental Results," advocates for reporting the expected validation effectiveness of the best-tuned model, with respect to the computational budget. In the present work, we critically examine this paper. As far as statistical generalizability is concerned, we find unspoken pitfalls and caveats with this approach. We analytically show that their estimator is biased and uses error-prone assumptions. We find that the estimator favors negative errors and yields poor bootstrapped confidence intervals. We derive an unbiased alternative and bolster our claims with empirical evidence from statistical simulation. Our codebase is at http://github.com/castorini/meanmax.

Enhancing the reasoning capabilities of large language models (LLMs) typically relies on massive computational resources and extensive datasets, limiting accessibility for resource-constrained settings. Our study investigates the potential of reinforcement learning (RL) to improve reasoning in small LLMs, focusing on a 1.5-billion-parameter model, DeepSeek-R1-Distill-Qwen-1.5B, under strict constraints: training on 4 NVIDIA A40 GPUs (48 GB VRAM each) within 24 hours. Adapting the Group Relative Policy Optimization (GRPO) algorithm and curating a compact, high-quality mathematical reasoning dataset, we conducted three experiments to explore model behavior and performance. Our results demonstrate rapid reasoning gains - e.g., AMC23 accuracy rising from 63% to 80% and AIME24 reaching 46.7%, surpassing o1-preview - using only 7,000 samples and a $42 training cost, compared to thousands of dollars for baseline models. However, challenges such as optimization instability and length constraints emerged with prolonged training. These findings highlight the efficacy of RL-based fine-tuning for small LLMs, offering a cost-effective alternative to large-scale approaches. We release our code and datasets as open-source resources, providing insights into trade-offs and laying a foundation for scalable, reasoning-capable LLMs in resource-limited environments. All are available at https://github.com/knoveleng/open-rs.

We investigate continued pretraining of LLMs for language adaptation on a tight academic budget: a setting in which only a few GPUs can be used in parallel, for a heavily constrained duration. We focus on adapting Mistral-7B to German or Arabic and evaluate several techniques to improve efficiency and effectiveness in this setting. Our German models adapted on this tight compute budget underperform compared to the base Mistral-7B, while our Arabic models outperform several baselines, showing that for sufficiently well-represented languages, continued pretraining for specialization is not always helpful. Our main findings focus on training precision and tokenizer swapping. Our results show that pure bfloat16 training is a viable alternative to mixed-precision training, while being much faster when only using a few GPUs. Swapping the tokenizer for a specialized one yields more efficient tokenization and is competitive with the original tokenizer, which already contains some German tokens, but did not significantly increase performance for German. Code and model weights are available at on GitHub.

This paper presents the computational challenge on differential geometry and topology that happened within the ICLR 2021 workshop "Geometric and Topological Representation Learning". The competition asked participants to provide creative contributions to the fields of computational geometry and topology through the open-source repositories Geomstats and Giotto-TDA. The challenge attracted 16 teams in its two month duration. This paper describes the design of the challenge and summarizes its main findings.

We present a quantum algorithm for portfolio optimization. We discuss the market data input, the processing of such data via quantum operations, and the output of financially relevant results. Given quantum access to the historical record of returns, the algorithm determines the optimal risk-return tradeoff curve and allows one to sample from the optimal portfolio. The algorithm can in principle attain a run time of {rm poly}(log(N)), where N is the size of the historical return dataset. Direct classical algorithms for determining the risk-return curve and other properties of the optimal portfolio take time {rm poly}(N) and we discuss potential quantum speedups in light of the recent works on efficient classical sampling approaches.

Text-to-image diffusion models particularly Stable Diffusion, have revolutionized the field of computer vision. However, the synthesis quality often deteriorates when asked to generate images that faithfully represent complex prompts involving multiple attributes and objects. While previous studies suggest that blended text embeddings lead to improper attribute binding, few have explored this in depth. In this work, we critically examine the limitations of the CLIP text encoder in understanding attributes and investigate how this affects diffusion models. We discern a phenomenon of attribute bias in the text space and highlight a contextual issue in padding embeddings that entangle different concepts. We propose Magnet, a novel training-free approach to tackle the attribute binding problem. We introduce positive and negative binding vectors to enhance disentanglement, further with a neighbor strategy to increase accuracy. Extensive experiments show that Magnet significantly improves synthesis quality and binding accuracy with negligible computational cost, enabling the generation of unconventional and unnatural concepts.

The rapidly-developing intersection of machine learning (ML) with high-energy physics (HEP) presents both opportunities and challenges to our community. Far beyond applications of standard ML tools to HEP problems, genuinely new and potentially revolutionary approaches are being developed by a generation of talent literate in both fields. There is an urgent need to support the needs of the interdisciplinary community driving these developments, including funding dedicated research at the intersection of the two fields, investing in high-performance computing at universities and tailoring allocation policies to support this work, developing of community tools and standards, and providing education and career paths for young researchers attracted by the intellectual vitality of machine learning for high energy physics.

Recent research has leveraged large language model multi-agent systems for complex problem-solving while trying to reduce the manual effort required to build them, driving the development of automated agent workflow optimization methods. However, existing methods remain inflexible due to representational limitations, a lack of adaptability, and poor scalability when relying on discrete optimization techniques. We address these challenges with ScoreFlow, a simple yet high-performance framework that leverages efficient gradient-based optimization in a continuous space. ScoreFlow incorporates Score-DPO, a novel variant of the direct preference optimization method that accounts for quantitative feedback. Across six benchmarks spanning question answering, coding, and mathematical reasoning, ScoreFlow achieves an 8.2% improvement over existing baselines. Moreover, it empowers smaller models to outperform larger ones with lower inference costs. Project: https://github.com/Gen-Verse/ScoreFlow

The advancement in generative AI could be boosted with more accessible mathematics. Beyond human-AI chat, large language models (LLMs) are emerging in programming, algorithm discovery, and theorem proving, yet their genomics application is limited. This project introduces Math Agents and mathematical embedding as fresh entries to the "Moore's Law of Mathematics", using a GPT-based workflow to convert equations from literature into LaTeX and Python formats. While many digital equation representations exist, there's a lack of automated large-scale evaluation tools. LLMs are pivotal as linguistic user interfaces, providing natural language access for human-AI chat and formal languages for large-scale AI-assisted computational infrastructure. Given the infinite formal possibility spaces, Math Agents, which interact with math, could potentially shift us from "big data" to "big math". Math, unlike the more flexible natural language, has properties subject to proof, enabling its use beyond traditional applications like high-validation math-certified icons for AI alignment aims. This project aims to use Math Agents and mathematical embeddings to address the ageing issue in information systems biology by applying multiscalar physics mathematics to disease models and genomic data. Generative AI with episodic memory could help analyse causal relations in longitudinal health records, using SIR Precision Health models. Genomic data is suggested for addressing the unsolved Alzheimer's disease problem.

Vast efforts have been devoted to creating high-performance few-shot learners, i.e., large-scale pretrained language models (PLMs) that perform well with little downstream task training data. Training PLMs has incurred significant cost, but utilizing the few-shot learners is still challenging due to their enormous size. This work focuses on a crucial question: How to make effective use of these few-shot learners? We propose LMTurk, a novel approach that treats few-shot learners as crowdsourcing workers. The rationale is that crowdsourcing workers are in fact few-shot learners: They are shown a few illustrative examples to learn about a task and then start annotating. LMTurk employs few-shot learners built upon PLMs as workers. We show that the resulting annotations can be utilized to train models that solve the task well and are small enough to be deployable in practical scenarios. Active learning is integrated into LMTurk to reduce the amount of queries made to PLMs, minimizing the computational cost of running PLM inference passes. Altogether, LMTurk is an important step towards making effective use of current PLMs.

What is the current state-of-the-art for image restoration and enhancement applied to degraded images acquired under less than ideal circumstances? Can the application of such algorithms as a pre-processing step to improve image interpretability for manual analysis or automatic visual recognition to classify scene content? While there have been important advances in the area of computational photography to restore or enhance the visual quality of an image, the capabilities of such techniques have not always translated in a useful way to visual recognition tasks. Consequently, there is a pressing need for the development of algorithms that are designed for the joint problem of improving visual appearance and recognition, which will be an enabling factor for the deployment of visual recognition tools in many real-world scenarios. To address this, we introduce the UG^2 dataset as a large-scale benchmark composed of video imagery captured under challenging conditions, and two enhancement tasks designed to test algorithmic impact on visual quality and automatic object recognition. Furthermore, we propose a set of metrics to evaluate the joint improvement of such tasks as well as individual algorithmic advances, including a novel psychophysics-based evaluation regime for human assessment and a realistic set of quantitative measures for object recognition performance. We introduce six new algorithms for image restoration or enhancement, which were created as part of the IARPA sponsored UG^2 Challenge workshop held at CVPR 2018. Under the proposed evaluation regime, we present an in-depth analysis of these algorithms and a host of deep learning-based and classic baseline approaches. From the observed results, it is evident that we are in the early days of building a bridge between computational photography and visual recognition, leaving many opportunities for innovation in this area.

Despite recent advancements in large language models (LLMs), their performance on complex reasoning problems requiring multi-step thinking and combining various skills is still limited. To address this, we propose a novel framework HDFlow for complex reasoning with LLMs that combines fast and slow thinking modes in an adaptive manner. Our approach consists of two key components: 1) a new approach for slow, deliberate reasoning called Dynamic Workflow, which automatically decomposes complex problems into more manageable sub-tasks and dynamically designs a workflow to assemble specialized LLM or symbolic reasoning tools to solve sub-tasks; 2) Hybrid Thinking, a general framework that dynamically combines fast and slow thinking based on problem complexity. Finally, we propose an easy-to-scale method for automatically synthesizing a large-scale dataset of 27K challenging reasoning problems for complex reasoning and a hybrid thinking tuning method that trains smaller LLMs on this dataset to internalize the fast/slow hybrid reasoning strategies. Experiments on four reasoning benchmark datasets demonstrate that our slow thinking with dynamic workflows significantly outperforms Chain-of-Thought, and hybrid thinking achieves the highest accuracy while providing an effective balance between computational efficiency and performance. Fine-tuning using our hybrid thinking approach also significantly boosts the complex reasoning capabilities of open-source language models. The results showcase the promise of slow thinking, dynamic workflows, and hybrid thinking in expanding the frontier of complex problem-solving with LLMsCode and data will be released at \url{https://github.com/wenlinyao/HDFlow.}.

Mixture-of-Experts (MoE) has been demonstrated as an efficient method to scale up models. By dynamically and sparsely selecting activated experts, MoE can effectively reduce computational costs. Despite the success, we observe that many tokens in the MoE models have uncertain routing results. These tokens have nearly equal scores for choosing each expert, and we demonstrate that this uncertainty can lead to incorrect selections. Inspired by the Global Workspace Theory (GWT), we propose a new fine-tuning method, GW-MoE, to address this issue. The core idea is to broadcast the uncertain tokens across experts during fine-tuning. Therefore, these tokens can acquire the necessary knowledge from any expert during inference and become less sensitive to the choice. GW-MoE does not introduce additional inference overhead. We validate that GW can mitigate the uncertain problem and consistently improve in different tasks (text classification, question answering, summarization, code generation, and mathematical problem solving) and model sizes (650M and 8B parameters).

Deep Learning (DL) has the potential to optimize machine learning in both the scientific and clinical communities. However, greater expertise is required to develop DL algorithms, and the variability of implementations hinders their reproducibility, translation, and deployment. Here we present the community-driven Generally Nuanced Deep Learning Framework (GaNDLF), with the goal of lowering these barriers. GaNDLF makes the mechanism of DL development, training, and inference more stable, reproducible, interpretable, and scalable, without requiring an extensive technical background. GaNDLF aims to provide an end-to-end solution for all DL-related tasks in computational precision medicine. We demonstrate the ability of GaNDLF to analyze both radiology and histology images, with built-in support for k-fold cross-validation, data augmentation, multiple modalities and output classes. Our quantitative performance evaluation on numerous use cases, anatomies, and computational tasks supports GaNDLF as a robust application framework for deployment in clinical workflows.

Tissue phenotyping is a fundamental computational pathology (CPath) task in learning objective characterizations of histopathologic biomarkers in anatomic pathology. However, whole-slide imaging (WSI) poses a complex computer vision problem in which the large-scale image resolutions of WSIs and the enormous diversity of morphological phenotypes preclude large-scale data annotation. Current efforts have proposed using pretrained image encoders with either transfer learning from natural image datasets or self-supervised pretraining on publicly-available histopathology datasets, but have not been extensively developed and evaluated across diverse tissue types at scale. We introduce UNI, a general-purpose self-supervised model for pathology, pretrained using over 100 million tissue patches from over 100,000 diagnostic haematoxylin and eosin-stained WSIs across 20 major tissue types, and evaluated on 33 representative CPath clinical tasks in CPath of varying diagnostic difficulties. In addition to outperforming previous state-of-the-art models, we demonstrate new modeling capabilities in CPath such as resolution-agnostic tissue classification, slide classification using few-shot class prototypes, and disease subtyping generalization in classifying up to 108 cancer types in the OncoTree code classification system. UNI advances unsupervised representation learning at scale in CPath in terms of both pretraining data and downstream evaluation, enabling data-efficient AI models that can generalize and transfer to a gamut of diagnostically-challenging tasks and clinical workflows in anatomic pathology.

The accelerated adoption of digital pathology and advances in deep learning have enabled the development of powerful models for various pathology tasks across a diverse array of diseases and patient cohorts. However, model training is often difficult due to label scarcity in the medical domain and the model's usage is limited by the specific task and disease for which it is trained. Additionally, most models in histopathology leverage only image data, a stark contrast to how humans teach each other and reason about histopathologic entities. We introduce CONtrastive learning from Captions for Histopathology (CONCH), a visual-language foundation model developed using diverse sources of histopathology images, biomedical text, and notably over 1.17 million image-caption pairs via task-agnostic pretraining. Evaluated on a suite of 13 diverse benchmarks, CONCH can be transferred to a wide range of downstream tasks involving either or both histopathology images and text, achieving state-of-the-art performance on histology image classification, segmentation, captioning, text-to-image and image-to-text retrieval. CONCH represents a substantial leap over concurrent visual-language pretrained systems for histopathology, with the potential to directly facilitate a wide array of machine learning-based workflows requiring minimal or no further supervised fine-tuning.

The trade-off between regret and computational cost is a fundamental problem for online kernel regression, and previous algorithms worked on the trade-off can not keep optimal regret bounds at a sublinear computational complexity. In this paper, we propose two new algorithms, AOGD-ALD and NONS-ALD, which can keep nearly optimal regret bounds at a sublinear computational complexity, and give sufficient conditions under which our algorithms work. Both algorithms dynamically maintain a group of nearly orthogonal basis used to approximate the kernel mapping, and keep nearly optimal regret bounds by controlling the approximate error. The number of basis depends on the approximate error and the decay rate of eigenvalues of the kernel matrix. If the eigenvalues decay exponentially, then AOGD-ALD and NONS-ALD separately achieves a regret of O(L(f)) and O(d_{eff}(mu)T) at a computational complexity in O(ln^2{T}). If the eigenvalues decay polynomially with degree pgeq 1, then our algorithms keep the same regret bounds at a computational complexity in o(T) in the case of p>4 and pgeq 10, respectively. L(f) is the cumulative losses of f and d_{eff}(mu) is the effective dimension of the problem. The two regret bounds are nearly optimal and are not comparable.

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.

Many interpretable AI approaches have been proposed to provide plausible explanations for a model's decision-making. However, configuring an explainable model that effectively communicates among computational modules has received less attention. A recently proposed shared global workspace theory showed that networks of distributed modules can benefit from sharing information with a bottlenecked memory because the communication constraints encourage specialization, compositionality, and synchronization among the modules. Inspired by this, we propose Concept-Centric Transformers, a simple yet effective configuration of the shared global workspace for interpretability, consisting of: i) an object-centric-based memory module for extracting semantic concepts from input features, ii) a cross-attention mechanism between the learned concept and input embeddings, and iii) standard classification and explanation losses to allow human analysts to directly assess an explanation for the model's classification reasoning. We test our approach against other existing concept-based methods on classification tasks for various datasets, including CIFAR100, CUB-200-2011, and ImageNet, and we show that our model achieves better classification accuracy than all baselines across all problems but also generates more consistent concept-based explanations of classification output.

This study addresses the critical gap in Arabic natural language processing by developing an effective Arabic Reverse Dictionary (RD) system that enables users to find words based on their descriptions or meanings. We present a novel transformer-based approach with a semi-encoder neural network architecture featuring geometrically decreasing layers that achieves state-of-the-art results for Arabic RD tasks. Our methodology incorporates a comprehensive dataset construction process and establishes formal quality standards for Arabic lexicographic definitions. Experiments with various pre-trained models demonstrate that Arabic-specific models significantly outperform general multilingual embeddings, with ARBERTv2 achieving the best ranking score (0.0644). Additionally, we provide a formal abstraction of the reverse dictionary task that enhances theoretical understanding and develop a modular, extensible Python library (RDTL) with configurable training pipelines. Our analysis of dataset quality reveals important insights for improving Arabic definition construction, leading to eight specific standards for building high-quality reverse dictionary resources. This work contributes significantly to Arabic computational linguistics and provides valuable tools for language learning, academic writing, and professional communication in Arabic.

The question of whether there exists a finite group of order at least three in which every element except one is a commutator has remained unresolved in group theory. In this article, we address this open problem by developing an algorithmic approach that leverages several group theoretic properties of such groups. Specifically, we utilize a result of Frobenius and various necessary properties of such groups, combined with Plesken and Holt's extensive enumeration of finite perfect groups, to systematically examine all finite groups up to a certain order for the desired property. The computational core of our work is implemented using the computer system GAP (Groups, Algorithms, and Programming). We discover two nonisomorphic groups of order 368,640 that exhibit the desired property. Our investigation also establishes that this order is the minimum order for such a group to exist. As a result, this study provides a positive answer to Problem 17.76 in the Kourovka Notebook. In addition to the algorithmic framework, this paper provides a structural description of one of the two groups found.

Deep learning time-series processing often relies on convolutional neural networks with overlapping windows. This overlap allows the network to produce an output faster than the window length. However, it introduces additional computations. This work explores the potential to optimize computational efficiency during inference by exploiting convolution's shift-invariance properties to skip the calculation of layer activations between successive overlapping windows. Although convolutions are shift-invariant, zero-padding and pooling operations, widely used in such networks, are not efficient and complicate efficient streaming inference. We introduce StreamiNNC, a strategy to deploy Convolutional Neural Networks for online streaming inference. We explore the adverse effects of zero padding and pooling on the accuracy of streaming inference, deriving theoretical error upper bounds for pooling during streaming. We address these limitations by proposing signal padding and pooling alignment and provide guidelines for designing and deploying models for StreamiNNC. We validate our method in simulated data and on three real-world biomedical signal processing applications. StreamiNNC achieves a low deviation between streaming output and normal inference for all three networks (2.03 - 3.55% NRMSE). This work demonstrates that it is possible to linearly speed up the inference of streaming CNNs processing overlapping windows, negating the additional computation typically incurred by overlapping windows.

Legislation can be viewed as a body of prescriptive rules expressed in natural language. The application of legislation to facts of a case we refer to as statutory reasoning, where those facts are also expressed in natural language. Computational statutory reasoning is distinct from most existing work in machine reading, in that much of the information needed for deciding a case is declared exactly once (a law), while the information needed in much of machine reading tends to be learned through distributional language statistics. To investigate the performance of natural language understanding approaches on statutory reasoning, we introduce a dataset, together with a legal-domain text corpus. Straightforward application of machine reading models exhibits low out-of-the-box performance on our questions, whether or not they have been fine-tuned to the legal domain. We contrast this with a hand-constructed Prolog-based system, designed to fully solve the task. These experiments support a discussion of the challenges facing statutory reasoning moving forward, which we argue is an interesting real-world task that can motivate the development of models able to utilize prescriptive rules specified in natural language.

Recent works have shown that the computational efficiency of video recognition can be significantly improved by reducing the spatial redundancy. As a representative work, the adaptive focus method (AdaFocus) has achieved a favorable trade-off between accuracy and inference speed by dynamically identifying and attending to the informative regions in each video frame. However, AdaFocus requires a complicated three-stage training pipeline (involving reinforcement learning), leading to slow convergence and is unfriendly to practitioners. This work reformulates the training of AdaFocus as a simple one-stage algorithm by introducing a differentiable interpolation-based patch selection operation, enabling efficient end-to-end optimization. We further present an improved training scheme to address the issues introduced by the one-stage formulation, including the lack of supervision, input diversity and training stability. Moreover, a conditional-exit technique is proposed to perform temporal adaptive computation on top of AdaFocus without additional training. Extensive experiments on six benchmark datasets (i.e., ActivityNet, FCVID, Mini-Kinetics, Something-Something V1&V2, and Jester) demonstrate that our model significantly outperforms the original AdaFocus and other competitive baselines, while being considerably more simple and efficient to train. Code is available at https://github.com/LeapLabTHU/AdaFocusV2.

Traditional multimodal learning approaches require expensive alignment pre-training to bridge vision and language modalities, typically projecting visual features into discrete text token spaces. We challenge both fundamental assumptions underlying this paradigm by proposing Inverse-LLaVA, a novel approach that eliminates alignment pre-training entirely while inverting the conventional mapping direction. Rather than projecting visual features to text space, our method maps text embeddings into continuous visual representation space and performs fusion within transformer intermediate layers. Through selective additive components in attention mechanisms, we enable dynamic integration of visual and textual representations without requiring massive image-text alignment datasets. Comprehensive experiments across nine multimodal benchmarks demonstrate nuanced performance trade-offs: Inverse-LLaVA achieves notable improvements on reasoning-intensive and cognitive tasks (MM-VET: +0.2%, VizWiz: +1.8%, ScienceQA: +0.2%, cognitive reasoning: +27.2%), while showing expected decreases in perception tasks requiring memorized visual-text associations (celebrity recognition: -49.5%, OCR: -21.3%). These results provide the first empirical evidence that alignment pre-training is not necessary for effective multimodal learning, particularly for complex reasoning tasks. Our work establishes the feasibility of a new paradigm that reduces computational requirements by 45%, challenges conventional wisdom about modality fusion, and opens new research directions for efficient multimodal architectures that preserve modality-specific characteristics. Our project website with code and additional resources is available at https://inverse-llava.github.io.

Advanced reasoning in large language models has achieved remarkable performance on challenging tasks, but the prevailing long-context reasoning paradigm faces critical limitations: quadratic computational scaling with sequence length, reasoning constrained by maximum context boundaries, and performance degradation beyond pre-training context windows. Existing approaches primarily compress reasoning chains without addressing the fundamental scaling problem. To overcome these challenges, we introduce InftyThink, a paradigm that transforms monolithic reasoning into an iterative process with intermediate summarization. By interleaving short reasoning segments with concise progress summaries, our approach enables unbounded reasoning depth while maintaining bounded computational costs. This creates a characteristic sawtooth memory pattern that significantly reduces computational complexity compared to traditional approaches. Furthermore, we develop a methodology for reconstructing long-context reasoning datasets into our iterative format, transforming OpenR1-Math into 333K training instances. Experiments across multiple model architectures demonstrate that our approach reduces computational costs while improving performance, with Qwen2.5-Math-7B showing 3-13% improvements across MATH500, AIME24, and GPQA_diamond benchmarks. Our work challenges the assumed trade-off between reasoning depth and computational efficiency, providing a more scalable approach to complex reasoning without architectural modifications.

High-fidelity reconstruction of deformable tissues from endoscopic videos remains challenging due to the limitations of existing methods in capturing subtle color variations and modeling global deformations. While 3D Gaussian Splatting (3DGS) enables efficient dynamic reconstruction, its fixed per-Gaussian color assignment struggles with intricate textures, and linear deformation modeling fails to model consistent global deformation. To address these issues, we propose ColorGS, a novel framework that integrates spatially adaptive color encoding and enhanced deformation modeling for surgical scene reconstruction. First, we introduce Colored Gaussian Primitives, which employ dynamic anchors with learnable color parameters to adaptively encode spatially varying textures, significantly improving color expressiveness under complex lighting and tissue similarity. Second, we design an Enhanced Deformation Model (EDM) that combines time-aware Gaussian basis functions with learnable time-independent deformations, enabling precise capture of both localized tissue deformations and global motion consistency caused by surgical interactions. Extensive experiments on DaVinci robotic surgery videos and benchmark datasets (EndoNeRF, StereoMIS) demonstrate that ColorGS achieves state-of-the-art performance, attaining a PSNR of 39.85 (1.5 higher than prior 3DGS-based methods) and superior SSIM (97.25\%) while maintaining real-time rendering efficiency. Our work advances surgical scene reconstruction by balancing high fidelity with computational practicality, critical for intraoperative guidance and AR/VR applications.

Recently, there have been notable advancements in large language models (LLMs), demonstrating their growing abilities in complex reasoning. However, existing research largely overlooks a thorough and systematic comparison of these models' reasoning processes and outputs, particularly regarding their self-reflection pattern (also termed "Aha moment") and the interconnections across diverse domains. This paper proposes a novel framework for analyzing the reasoning characteristics of four cutting-edge large reasoning models (GPT-o1, DeepSeek-R1, Kimi-k1.5, and Grok-3) using keywords statistic and LLM-as-a-judge paradigm. Our approach connects their internal thinking processes with their final outputs. A diverse dataset consists of real-world scenario-based questions covering logical deduction, causal inference, and multi-step problem-solving. Additionally, a set of metrics is put forward to assess both the coherence of reasoning and the accuracy of the outputs. The research results uncover various patterns of how these models balance exploration and exploitation, deal with problems, and reach conclusions during the reasoning process. Through quantitative and qualitative comparisons, disparities among these models are identified in aspects such as the depth of reasoning, the reliance on intermediate steps, and the degree of similarity between their thinking processes and output patterns and those of GPT-o1. This work offers valuable insights into the trade-off between computational efficiency and reasoning robustness and provides practical recommendations for enhancing model design and evaluation in practical applications. We publicly release our project at: https://github.com/ChangWenhan/FromThinking2Output

Being prompted to engage in reasoning has emerged as a core technique for using large language models (LLMs), deploying additional inference-time compute to improve task performance. However, as LLMs increase in both size and adoption, inference costs are correspondingly becoming increasingly burdensome. How, then, might we optimize reasoning's cost-performance tradeoff? This work introduces a novel approach based on computational models of metareasoning used in cognitive science, training LLMs to selectively use intermediate reasoning steps only when necessary. We first develop a reward function that incorporates the Value of Computation by penalizing unnecessary reasoning, then use this reward function with Expert Iteration to train the LLM. Compared to few-shot chain-of-thought prompting and STaR, our method significantly reduces inference costs (20-37\% fewer tokens generated across three models) while maintaining task performance across diverse datasets.

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

Superlatives are used to single out elements with a maximal/minimal property. Semantically, superlatives perform a set comparison: something (or some things) has the min/max property out of a set. As such, superlatives provide an ideal phenomenon for studying implicit phenomena and discourse restrictions. While this comparison set is often not explicitly defined, its (implicit) restrictions can be inferred from the discourse context the expression appears in. In this work we provide an extensive computational study on the semantics of superlatives. We propose a unified account of superlative semantics which allows us to derive a broad-coverage annotation schema. Using this unified schema we annotated a multi-domain dataset of superlatives and their semantic interpretations. We specifically focus on interpreting implicit or ambiguous superlative expressions, by analyzing how the discourse context restricts the set of interpretations. In a set of experiments we then analyze how well models perform at variations of predicting superlative semantics, with and without context. We show that the fine-grained semantics of superlatives in context can be challenging for contemporary models, including GPT-4.

This paper presents a spell checker and correction tool specifically designed for Wolof, an under-represented spoken language in Africa. The proposed spell checker leverages a combination of a trie data structure, dynamic programming, and the weighted Levenshtein distance to generate suggestions for misspelled words. We created novel linguistic resources for Wolof, such as a lexicon and a corpus of misspelled words, using a semi-automatic approach that combines manual and automatic annotation methods. Despite the limited data available for the Wolof language, the spell checker's performance showed a predictive accuracy of 98.31% and a suggestion accuracy of 93.33%. Our primary focus remains the revitalization and preservation of Wolof as an Indigenous and spoken language in Africa, providing our efforts to develop novel linguistic resources. This work represents a valuable contribution to the growth of computational tools and resources for the Wolof language and provides a strong foundation for future studies in the automatic spell checking and correction field.

In this work we propose a new computational framework, based on generative deep models, for synthesis of photo-realistic food meal images from textual list of its ingredients. Previous works on synthesis of images from text typically rely on pre-trained text models to extract text features, followed by generative neural networks (GAN) aimed to generate realistic images conditioned on the text features. These works mainly focus on generating spatially compact and well-defined categories of objects, such as birds or flowers, but meal images are significantly more complex, consisting of multiple ingredients whose appearance and spatial qualities are further modified by cooking methods. To generate real-like meal images from ingredients, we propose Cook Generative Adversarial Networks (CookGAN), CookGAN first builds an attention-based ingredients-image association model, which is then used to condition a generative neural network tasked with synthesizing meal images. Furthermore, a cycle-consistent constraint is added to further improve image quality and control appearance. Experiments show our model is able to generate meal images corresponding to the ingredients.

In recent years, the popular Transformer architecture has achieved great success in many application areas, including natural language processing and computer vision. Many existing works aim to reduce the computational and memory complexity of the self-attention mechanism in the Transformer by trading off performance. However, performance is key for the continuing success of the Transformer. In this paper, a family of drop-in replacements for the self-attention mechanism in the Transformer, called the Extractors, is proposed. Four types of the Extractors, namely the super high-performance Extractor (SHE), the higher-performance Extractor (HE), the worthwhile Extractor (WE), and the minimalist Extractor (ME), are proposed as examples. Experimental results show that replacing the self-attention mechanism with the SHE evidently improves the performance of the Transformer, whereas the simplified versions of the SHE, i.e., the HE, the WE, and the ME, perform close to or better than the self-attention mechanism with less computational and memory complexity. Furthermore, the proposed Extractors have the potential or are able to run faster than the self-attention mechanism since their critical paths of computation are much shorter. Additionally, the sequence prediction problem in the context of text generation is formulated using variable-length discrete-time Markov chains, and the Transformer is reviewed based on our understanding.

Autoregressive Transformers adopted in Large Language Models (LLMs) are hard to scale to long sequences. Despite several works trying to reduce their computational cost, most of LLMs still adopt attention layers between all pairs of tokens in the sequence, thus incurring a quadratic cost. In this study, we present a novel approach that dynamically prunes contextual information while preserving the model's expressiveness, resulting in reduced memory and computational requirements during inference. Our method employs a learnable mechanism that determines which uninformative tokens can be dropped from the context at any point across the generation process. By doing so, our approach not only addresses performance concerns but also enhances interpretability, providing valuable insight into the model's decision-making process. Our technique can be applied to existing pre-trained models through a straightforward fine-tuning process, and the pruning strength can be specified by a sparsity parameter. Notably, our empirical findings demonstrate that we can effectively prune up to 80\% of the context without significant performance degradation on downstream tasks, offering a valuable tool for mitigating inference costs. Our reference implementation achieves up to 2times increase in inference throughput and even greater memory savings.

Large language models (LLMs) have shown remarkable capabilities, but still struggle with processing extensive contexts, limiting their ability to maintain coherence and accuracy over long sequences. In contrast, the human brain excels at organising and retrieving episodic experiences across vast temporal scales, spanning a lifetime. In this work, we introduce EM-LLM, a novel approach that integrates key aspects of human episodic memory and event cognition into LLMs, enabling them to effectively handle practically infinite context lengths while maintaining computational efficiency. EM-LLM organises sequences of tokens into coherent episodic events using a combination of Bayesian surprise and graph-theoretic boundary refinement in an on-line fashion. When needed, these events are retrieved through a two-stage memory process, combining similarity-based and temporally contiguous retrieval for efficient and human-like access to relevant information. Experiments on the LongBench dataset demonstrate EM-LLM's superior performance, outperforming the state-of-the-art InfLLM model with an overall relative improvement of 4.3% across various tasks, including a 33% improvement on the PassageRetrieval task. Furthermore, our analysis reveals strong correlations between EM-LLM's event segmentation and human-perceived events, suggesting a bridge between this artificial system and its biological counterpart. This work not only advances LLM capabilities in processing extended contexts but also provides a computational framework for exploring human memory mechanisms, opening new avenues for interdisciplinary research in AI and cognitive science.

Transformers have revolutionized almost all natural language processing (NLP) tasks but suffer from memory and computational complexity that scales quadratically with sequence length. In contrast, recurrent neural networks (RNNs) exhibit linear scaling in memory and computational requirements but struggle to match the same performance as Transformers due to limitations in parallelization and scalability. We propose a novel model architecture, Receptance Weighted Key Value (RWKV), that combines the efficient parallelizable training of Transformers with the efficient inference of RNNs. Our approach leverages a linear attention mechanism and allows us to formulate the model as either a Transformer or an RNN, which parallelizes computations during training and maintains constant computational and memory complexity during inference, leading to the first non-transformer architecture to be scaled to tens of billions of parameters. Our experiments reveal that RWKV performs on par with similarly sized Transformers, suggesting that future work can leverage this architecture to create more efficient models. This work presents a significant step towards reconciling the trade-offs between computational efficiency and model performance in sequence processing tasks.

Generative diffusion models have emerged as a powerful tool for high-quality image synthesis, yet their iterative nature demands significant computational resources. This paper proposes an efficient time step sampling method based on an image spectral analysis of the diffusion process, aimed at optimizing the denoising process. Instead of the traditional uniform distribution-based time step sampling, we introduce a Beta distribution-like sampling technique that prioritizes critical steps in the early and late stages of the process. Our hypothesis is that certain steps exhibit significant changes in image content, while others contribute minimally. We validated our approach using Fourier transforms to measure frequency response changes at each step, revealing substantial low-frequency changes early on and high-frequency adjustments later. Experiments with ADM and Stable Diffusion demonstrated that our Beta Sampling method consistently outperforms uniform sampling, achieving better FID and IS scores, and offers competitive efficiency relative to state-of-the-art methods like AutoDiffusion. This work provides a practical framework for enhancing diffusion model efficiency by focusing computational resources on the most impactful steps, with potential for further optimization and broader application.

Characterizing non-Markovian quantum dynamics is currently hindered by the self-inconsistency and high computational complexity of existing quantum comb tomography (QCT) methods. In this work, we propose a self-consistent framework that unifies the quantum comb, instrument set, and initial states into a single geometric entity, termed as the Comb-Instrument-State (CIS) set. We demonstrate that the CIS set naturally resides on a product Stiefel manifold, allowing the tomography problem to be solved via efficient unconstrained Riemannian optimization while automatically preserving physical constraints. Numerical simulations confirm that our approach is computationally scalable and robust against gate definition errors, significantly outperforming conventional isometry-based QCT methods. Our work indicates the potential to efficiently learn quantum comb with fewer computational resources.

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of classical SVM and Quantum Support Vector Machines (QSVM) operational on quantum hardware over the Iris dataset. The methodology embraced encapsulates an extensive array of experiments orchestrated through the Qiskit library, alongside hyperparameter optimization. The findings unveil that in particular scenarios, QSVMs extend a level of accuracy that can vie with classical SVMs, albeit the execution times are presently protracted. Moreover, we underscore that augmenting quantum computational capacity and the magnitude of parallelism can markedly ameliorate the performance of quantum machine learning algorithms. This inquiry furnishes invaluable insights regarding the extant scenario and future potentiality of machine learning applications in the quantum epoch. Colab: https://t.ly/QKuz0

Natural intelligences (NIs) thrive in a dynamic world - they learn quickly, sometimes with only a few samples. In contrast, artificial intelligences (AIs) typically learn with a prohibitive number of training samples and computational power. What design principle difference between NI and AI could contribute to such a discrepancy? Here, we investigate the role of weight polarity: development processes initialize NIs with advantageous polarity configurations; as NIs grow and learn, synapse magnitudes update, yet polarities are largely kept unchanged. We demonstrate with simulation and image classification tasks that if weight polarities are adequately set a priori, then networks learn with less time and data. We also explicitly illustrate situations in which a priori setting the weight polarities is disadvantageous for networks. Our work illustrates the value of weight polarities from the perspective of statistical and computational efficiency during learning.

The Iterative Closest Point (ICP) algorithm and its variants are a fundamental technique for rigid registration between two point sets, with wide applications in different areas from robotics to 3D reconstruction. The main drawbacks for ICP are its slow convergence as well as its sensitivity to outliers, missing data, and partial overlaps. Recent work such as Sparse ICP achieves robustness via sparsity optimization at the cost of computational speed. In this paper, we propose a new method for robust registration with fast convergence. First, we show that the classical point-to-point ICP can be treated as a majorization-minimization (MM) algorithm, and propose an Anderson acceleration approach to speed up its convergence. In addition, we introduce a robust error metric based on the Welsch's function, which is minimized efficiently using the MM algorithm with Anderson acceleration. On challenging datasets with noises and partial overlaps, we achieve similar or better accuracy than Sparse ICP while being at least an order of magnitude faster. Finally, we extend the robust formulation to point-to-plane ICP, and solve the resulting problem using a similar Anderson-accelerated MM strategy. Our robust ICP methods improve the registration accuracy on benchmark datasets while being competitive in computational time.

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.

Vision transformers (ViTs) have become the popular structures and outperformed convolutional neural networks (CNNs) on various vision tasks. However, such powerful transformers bring a huge computation burden, because of the exhausting token-to-token comparison. The previous works focus on dropping insignificant tokens to reduce the computational cost of ViTs. But when the dropping ratio increases, this hard manner will inevitably discard the vital tokens, which limits its efficiency. To solve the issue, we propose a generic self-slimmed learning approach for vanilla ViTs, namely SiT. Specifically, we first design a novel Token Slimming Module (TSM), which can boost the inference efficiency of ViTs by dynamic token aggregation. As a general method of token hard dropping, our TSM softly integrates redundant tokens into fewer informative ones. It can dynamically zoom visual attention without cutting off discriminative token relations in the images, even with a high slimming ratio. Furthermore, we introduce a concise Feature Recalibration Distillation (FRD) framework, wherein we design a reverse version of TSM (RTSM) to recalibrate the unstructured token in a flexible auto-encoder manner. Due to the similar structure between teacher and student, our FRD can effectively leverage structure knowledge for better convergence. Finally, we conduct extensive experiments to evaluate our SiT. It demonstrates that our method can speed up ViTs by 1.7x with negligible accuracy drop, and even speed up ViTs by 3.6x while maintaining 97% of their performance. Surprisingly, by simply arming LV-ViT with our SiT, we achieve new state-of-the-art performance on ImageNet. Code is available at https://github.com/Sense-X/SiT.

In this paper, we introduce the Chinese corpus from CLUE organization, CLUECorpus2020, a large-scale corpus that can be used directly for self-supervised learning such as pre-training of a language model, or language generation. It has 100G raw corpus with 35 billion Chinese characters, which is retrieved from Common Crawl. To better understand this corpus, we conduct language understanding experiments on both small and large scale, and results show that the models trained on this corpus can achieve excellent performance on Chinese. We release a new Chinese vocabulary with a size of 8K, which is only one-third of the vocabulary size used in Chinese Bert released by Google. It saves computational cost and memory while works as good as original vocabulary. We also release both large and tiny versions of the pre-trained model on this corpus. The former achieves the state-of-the-art result, and the latter retains most precision while accelerating training and prediction speed for eight times compared to Bert-base. To facilitate future work on self-supervised learning on Chinese, we release our dataset, new vocabulary, codes, and pre-trained models on Github.

We present the Twitter Job/Employment Corpus, a collection of tweets annotated by a humans-in-the-loop supervised learning framework that integrates crowdsourcing contributions and expertise on the local community and employment environment. Previous computational studies of job-related phenomena have used corpora collected from workplace social media that are hosted internally by the employers, and so lacks independence from latent job-related coercion and the broader context that an open domain, general-purpose medium such as Twitter provides. Our new corpus promises to be a benchmark for the extraction of job-related topics and advanced analysis and modeling, and can potentially benefit a wide range of research communities in the future.

Deep neural networks (DNNs) have demonstrated state-of-the-art results on many pattern recognition tasks, especially vision classification problems. Understanding the inner workings of such computational brains is both fascinating basic science that is interesting in its own right - similar to why we study the human brain - and will enable researchers to further improve DNNs. One path to understanding how a neural network functions internally is to study what each of its neurons has learned to detect. One such method is called activation maximization (AM), which synthesizes an input (e.g. an image) that highly activates a neuron. Here we dramatically improve the qualitative state of the art of activation maximization by harnessing a powerful, learned prior: a deep generator network (DGN). The algorithm (1) generates qualitatively state-of-the-art synthetic images that look almost real, (2) reveals the features learned by each neuron in an interpretable way, (3) generalizes well to new datasets and somewhat well to different network architectures without requiring the prior to be relearned, and (4) can be considered as a high-quality generative method (in this case, by generating novel, creative, interesting, recognizable images).

Recent work on enhancing the reasoning abilities of large language models (LLMs) has introduced explicit length control as a means of constraining computational cost while preserving accuracy. However, existing approaches rely on fixed-length training budgets, which do not take advantage of the natural progression from exploration to compression during learning. In this work, we propose a curriculum learning strategy for length-controlled reasoning using Group Relative Policy Optimization (GRPO). Our method starts with generous token budgets and gradually tightens them over training, encouraging models to first discover effective solution strategies and then distill them into more concise reasoning traces. We augment GRPO with a reward function that balances three signals: task correctness (via verifier feedback), length efficiency, and formatting adherence (via structural tags). Experiments on GSM8K, MATH500, SVAMP, College Math, and GSM+ demonstrate that curriculum-based training consistently outperforms fixed-budget baselines at the same final budget, achieving higher accuracy and significantly improved token efficiency. We further ablate the impact of reward weighting and decay schedule design, showing that progressive constraint serves as a powerful inductive bias for training efficient reasoning models. Our code and checkpoints are released at: https://github.com/hammoudhasan/curriculum_grpo.

Systematic, compositional generalization beyond the training distribution remains a core challenge in machine learning -- and a critical bottleneck for the emergent reasoning abilities of modern language models. This work investigates out-of-distribution (OOD) generalization in Transformer networks using a GSM8K-style modular arithmetic on computational graphs task as a testbed. We introduce and explore a set of four architectural mechanisms aimed at enhancing OOD generalization: (i) input-adaptive recurrence; (ii) algorithmic supervision; (iii) anchored latent representations via a discrete bottleneck; and (iv) an explicit error-correction mechanism. Collectively, these mechanisms yield an architectural approach for native and scalable latent space reasoning in Transformer networks with robust algorithmic generalization capabilities. We complement these empirical results with a detailed mechanistic interpretability analysis that reveals how these mechanisms give rise to robust OOD generalization abilities.

We introduce ShadowDraw, a framework that transforms ordinary 3D objects into shadow-drawing compositional art. Given a 3D object, our system predicts scene parameters, including object pose and lighting, together with a partial line drawing, such that the cast shadow completes the drawing into a recognizable image. To this end, we optimize scene configurations to reveal meaningful shadows, employ shadow strokes to guide line drawing generation, and adopt automatic evaluation to enforce shadow-drawing coherence and visual quality. Experiments show that ShadowDraw produces compelling results across diverse inputs, from real-world scans and curated datasets to generative assets, and naturally extends to multi-object scenes, animations, and physical deployments. Our work provides a practical pipeline for creating shadow-drawing art and broadens the design space of computational visual art, bridging the gap between algorithmic design and artistic storytelling. Check out our project page https://red-fairy.github.io/ShadowDraw/ for more results and an end-to-end real-world demonstration of our pipeline!

This work investigates context compression for Large Language Models (LLMs) using learned compression tokens to reduce the memory and computational demands of processing long sequences. We demonstrate that pre-trained LLMs can be fine-tuned to compress their context by factors of 2x to 8x without significant performance degradation, as evaluated on both short-context and long-context benchmarks. Furthermore, in experiments on a 3-billion-parameter LLaMA model, our method achieves results on par with alternative compression techniques while attaining higher compression ratios.

Vision-language models (VLMs) excel in semantic tasks but falter at a core human capability: detecting hidden content in optical illusions or AI-generated images through perceptual adjustments like zooming. We introduce HC-Bench, a benchmark of 112 images with hidden text, objects, and illusions, revealing that leading VLMs achieve near-zero accuracy (0-5.36%)-even with explicit prompting. Humans resolve such ambiguities instinctively, yet VLMs fail due to an overreliance on high-level semantics. Strikingly, we propose SemVink (Semantic Visual Thinking) by simply scaling images to low resolutions (32-128 pixels), which unlocks >99% accuracy by eliminating redundant visual noise. This exposes a critical architectural flaw: VLMs prioritize abstract reasoning over low-level visual operations crucial for real-world robustness. Our work urges a shift toward hybrid models integrating multi-scale processing, bridging the gap between computational vision and human cognition for applications in medical imaging, security, and beyond.

The Stable Diffusion Model (SDM) is a popular and efficient text-to-image (t2i) generation and image-to-image (i2i) generation model. Although there have been some attempts to reduce sampling steps, model distillation, and network quantization, these previous methods generally retain the original network architecture. Billion scale parameters and high computing requirements make the research of model architecture adjustment scarce. In this work, we first explore the computational redundancy part of the network, and then prune the redundancy blocks of the model and maintain the network performance through a progressive incubation strategy. Secondly, in order to maintaining the model performance, we add cross-layer multi-expert conditional convolution (CLME-Condconv) to the block pruning part to inherit the original convolution parameters. Thirdly, we propose a global-regional interactive (GRI) attention to speed up the computationally intensive attention part. Finally, we use semantic-aware supervision (SAS) to align the outputs of the teacher model and student model at the semantic level. Experiments show that this method can effectively train a lightweight model close to the performance of the original SD model, and effectively improve the model speed under limited resources. Experiments show that the proposed method can effectively train a light-weight model close to the performance of the original SD model, and effectively improve the model speed under limited resources. After acceleration, the UNet part of the model is 22% faster and the overall speed is 19% faster.

Recent work has shown that feed-forward networks (FFNs) in pre-trained Transformers are a key component, storing various linguistic and factual knowledge. However, the computational patterns of FFNs are still unclear. In this work, we study the computational patterns of FFNs and observe that most inputs only activate a tiny ratio of neurons of FFNs. This phenomenon is similar to the sparsity of the human brain, which drives research on functional partitions of the human brain. To verify whether functional partitions also emerge in FFNs, we propose to convert a model into its MoE version with the same parameters, namely MoEfication. Specifically, MoEfication consists of two phases: (1) splitting the parameters of FFNs into multiple functional partitions as experts, and (2) building expert routers to decide which experts will be used for each input. Experimental results show that MoEfication can conditionally use 10% to 30% of FFN parameters while maintaining over 95% original performance for different models on various downstream tasks. Besides, MoEfication brings two advantages: (1) it significantly reduces the FLOPS of inference, i.e., 2x speedup with 25% of FFN parameters, and (2) it provides a fine-grained perspective to study the inner mechanism of FFNs. The source code of this paper can be obtained from https://github.com/thunlp/MoEfication.

Multimodal deep learning has shown promise in depression detection by integrating text, audio, and video signals. Recent work leverages sentiment analysis to enhance emotional understanding, yet suffers from high computational cost, domain mismatch, and static knowledge limitations. To address these issues, we propose a novel Retrieval-Augmented Generation (RAG) framework. Given a depression-related text, our method retrieves semantically relevant emotional content from a sentiment dataset and uses a Large Language Model (LLM) to generate an Emotion Prompt as an auxiliary modality. This prompt enriches emotional representation and improves interpretability. Experiments on the AVEC 2019 dataset show our approach achieves state-of-the-art performance with CCC of 0.593 and MAE of 3.95, surpassing previous transfer learning and multi-task learning baselines.

Modelling the complex spatiotemporal patterns of large-scale brain dynamics is crucial for neuroscience, but traditional methods fail to capture the rich structure in modalities such as magnetoencephalography (MEG). Recent advances in deep learning have enabled significant progress in other domains, such as language and vision, by using foundation models at scale. Here, we introduce MEG-GPT, a transformer based foundation model that uses time-attention and next time-point prediction. To facilitate this, we also introduce a novel data-driven tokeniser for continuous MEG data, which preserves the high temporal resolution of continuous MEG signals without lossy transformations. We trained MEG-GPT on tokenised brain region time-courses extracted from a large-scale MEG dataset (N=612, eyes-closed rest, Cam-CAN data), and show that the learnt model can generate data with realistic spatio-spectral properties, including transient events and population variability. Critically, it performs well in downstream decoding tasks, improving downstream supervised prediction task, showing improved zero-shot generalisation across sessions (improving accuracy from 0.54 to 0.59) and subjects (improving accuracy from 0.41 to 0.49) compared to a baseline methods. Furthermore, we show the model can be efficiently fine-tuned on a smaller labelled dataset to boost performance in cross-subject decoding scenarios. This work establishes a powerful foundation model for electrophysiological data, paving the way for applications in computational neuroscience and neural decoding.

Constructed languages (conlangs) such as Esperanto and Quenya have played diverse roles in art, philosophy, and international communication. Meanwhile, large-scale foundation models have revolutionized creative generation in text, images, and beyond. In this work, we leverage modern LLMs as computational creativity aids for end-to-end conlang creation. We introduce ConlangCrafter, a multi-hop pipeline that decomposes language design into modular stages -- phonology, morphology, syntax, lexicon generation, and translation. At each stage, our method leverages LLMs' meta-linguistic reasoning capabilities, injecting randomness to encourage diversity and leveraging self-refinement feedback to encourage consistency in the emerging language description. We evaluate ConlangCrafter on metrics measuring coherence and typological diversity, demonstrating its ability to produce coherent and varied conlangs without human linguistic expertise.

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to form actionable conclusions. We present a Bayesian hierarchical modeling framework that rigorously quantifies performance metrics and their uncertainty, enabling a nuanced comparison of algorithmic strategies. We apply this framework to analyze the Dimer method, comparing Conjugate Gradient (CG) and L-BFGS rotation optimizers, with and without the removal of external rotations, across a benchmark of 500 molecular systems. Our analysis confirms that CG offers higher overall robustness than L-BFGS in this context. While the theoretically-motivated removal of external rotations led to higher computational cost (>40% more energy and force calls) for most systems in this set, our models also reveal a subtle interplay, hinting that this feature may improve the reliability of the L-BFGS optimizer. Rather than identifying a single superior method, our findings support the design of adaptive "chain of methods" workflows. This work showcases how a robust statistical paradigm can move beyond simple performance rankings to inform the intelligent, context-dependent application of computational chemistry methods.

This paper introduces a comprehensive system for detecting hallucinations in large language model (LLM) outputs in enterprise settings. We present a novel taxonomy of LLM responses specific to hallucination in enterprise applications, categorizing them into context-based, common knowledge, enterprise-specific, and innocuous statements. Our hallucination detection model HDM-2 validates LLM responses with respect to both context and generally known facts (common knowledge). It provides both hallucination scores and word-level annotations, enabling precise identification of problematic content. To evaluate it on context-based and common-knowledge hallucinations, we introduce a new dataset HDMBench. Experimental results demonstrate that HDM-2 out-performs existing approaches across RagTruth, TruthfulQA, and HDMBench datasets. This work addresses the specific challenges of enterprise deployment, including computational efficiency, domain specialization, and fine-grained error identification. Our evaluation dataset, model weights, and inference code are publicly available.

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

Chain-of-thought (CoT), tree-of-thought (ToT), and related techniques work surprisingly well in practice for some complex reasoning tasks with Large Language Models (LLMs), but why? This work seeks the underlying reasons by conducting experimental case studies and linking the performance benefits to well-established sample and computational complexity principles in machine learning. We experimented with 6 reasoning tasks, ranging from grade school math, air travel planning, ..., to Blocksworld. The results suggest that (i) both CoT and ToT benefit significantly from task decomposition, which breaks a complex reasoning task into a sequence of steps with low sample complexity and explicitly outlines the reasoning structure, and (ii) for computationally hard reasoning tasks, the more sophisticated tree structure of ToT outperforms the linear structure of CoT. These findings provide useful guidelines for the use of LLM in solving reasoning tasks in practice.

Detecting anomalies in images is an important task, especially in real-time computer vision applications. In this work, we focus on computational efficiency and propose a lightweight feature extractor that processes an image in less than a millisecond on a modern GPU. We then use a student-teacher approach to detect anomalous features. We train a student network to predict the extracted features of normal, i.e., anomaly-free training images. The detection of anomalies at test time is enabled by the student failing to predict their features. We propose a training loss that hinders the student from imitating the teacher feature extractor beyond the normal images. It allows us to drastically reduce the computational cost of the student-teacher model, while improving the detection of anomalous features. We furthermore address the detection of challenging logical anomalies that involve invalid combinations of normal local features, for example, a wrong ordering of objects. We detect these anomalies by efficiently incorporating an autoencoder that analyzes images globally. We evaluate our method, called EfficientAD, on 32 datasets from three industrial anomaly detection dataset collections. EfficientAD sets new standards for both the detection and the localization of anomalies. At a latency of two milliseconds and a throughput of six hundred images per second, it enables a fast handling of anomalies. Together with its low error rate, this makes it an economical solution for real-world applications and a fruitful basis for future research.

Scientific publications are the primary means to communicate research discoveries, where the writing quality is of crucial importance. However, prior work studying the human editing process in this domain mainly focused on the abstract or introduction sections, resulting in an incomplete picture. In this work, we provide a complete computational framework for studying text revision in scientific writing. We first introduce arXivEdits, a new annotated corpus of 751 full papers from arXiv with gold sentence alignment across their multiple versions of revision, as well as fine-grained span-level edits and their underlying intentions for 1,000 sentence pairs. It supports our data-driven analysis to unveil the common strategies practiced by researchers for revising their papers. To scale up the analysis, we also develop automatic methods to extract revision at document-, sentence-, and word-levels. A neural CRF sentence alignment model trained on our corpus achieves 93.8 F1, enabling the reliable matching of sentences between different versions. We formulate the edit extraction task as a span alignment problem, and our proposed method extracts more fine-grained and explainable edits, compared to the commonly used diff algorithm. An intention classifier trained on our dataset achieves 78.9 F1 on the fine-grained intent classification task. Our data and system are released at tiny.one/arxivedits.

Modern-day time-domain photometric surveys collect a lot of observations of various astronomical objects and the coming era of large-scale surveys will provide even more information on their properties. Spectroscopic follow-ups are especially crucial for transients such as supernovae and most of these objects have not been subject to such studies. }{Flux time series are actively used as an affordable alternative for photometric classification and characterization, for instance, peak identifications and luminosity decline estimations. However, the collected time series are multidimensional and irregularly sampled, while also containing outliers and without any well-defined systematic uncertainties. This paper presents a search for the best-performing methods to approximate the observed light curves over time and wavelength for the purpose of generating time series with regular time steps in each passband.}{We examined several light curve approximation methods based on neural networks such as multilayer perceptrons, Bayesian neural networks, and normalizing flows to approximate observations of a single light curve. Test datasets include simulated PLAsTiCC and real Zwicky Transient Facility Bright Transient Survey light curves of transients.}{The tests demonstrate that even just a few observations are enough to fit the networks and improve the quality of approximation, compared to state-of-the-art models. The methods described in this work have a low computational complexity and are significantly faster than Gaussian processes. Additionally, we analyzed the performance of the approximation techniques from the perspective of further peak identification and transients classification. The study results have been released in an open and user-friendly Fulu Python library available on GitHub for the scientific community.

Unsupervised generation of high-quality multi-view-consistent images and 3D shapes using only collections of single-view 2D photographs has been a long-standing challenge. Existing 3D GANs are either compute-intensive or make approximations that are not 3D-consistent; the former limits quality and resolution of the generated images and the latter adversely affects multi-view consistency and shape quality. In this work, we improve the computational efficiency and image quality of 3D GANs without overly relying on these approximations. We introduce an expressive hybrid explicit-implicit network architecture that, together with other design choices, synthesizes not only high-resolution multi-view-consistent images in real time but also produces high-quality 3D geometry. By decoupling feature generation and neural rendering, our framework is able to leverage state-of-the-art 2D CNN generators, such as StyleGAN2, and inherit their efficiency and expressiveness. We demonstrate state-of-the-art 3D-aware synthesis with FFHQ and AFHQ Cats, among other experiments.

Neural Architecture Search (NAS) is a laborious process. Prior work on automated NAS targets mainly on improving accuracy, but lacks consideration of computational resource use. We propose the Resource-Efficient Neural Architect (RENA), an efficient resource-constrained NAS using reinforcement learning with network embedding. RENA uses a policy network to process the network embeddings to generate new configurations. We demonstrate RENA on image recognition and keyword spotting (KWS) problems. RENA can find novel architectures that achieve high performance even with tight resource constraints. For CIFAR10, it achieves 2.95% test error when compute intensity is greater than 100 FLOPs/byte, and 3.87% test error when model size is less than 3M parameters. For Google Speech Commands Dataset, RENA achieves the state-of-the-art accuracy without resource constraints, and it outperforms the optimized architectures with tight resource constraints.

Transformer-based language models have found many diverse applications requiring them to process sequences of increasing length. For these applications, the causal self-attention -- which is the only component scaling quadratically w.r.t. the sequence length -- becomes a central concern. While many works have proposed schemes to sparsify the attention patterns and reduce the computational overhead of self-attention, those are often limited by implementations concerns and end up imposing a simple and static structure over the attention matrix. Conversely, implementing more dynamic sparse attentions often results in runtimes significantly slower than computing the full attention using the Flash implementation from Dao et al. (2022). We extend FlashAttention to accommodate a large class of attention sparsity patterns that, in particular, encompass key/query dropping and hashing-based attention. This leads to implementations with no computational complexity overhead and a multi-fold runtime speedup on top of FlashAttention. Even with relatively low degrees of sparsity, our method improves visibly upon FlashAttention as the sequence length increases. Without sacrificing perplexity, we increase the training speed of a transformer language model by 2.0times and 3.3times for sequences of respectively 8k and 16k tokens.

Cross-view image matching for geo-localisation is a challenging problem due to the significant visual difference between aerial and ground-level viewpoints. The method provides localisation capabilities from geo-referenced images, eliminating the need for external devices or costly equipment. This enhances the capacity of agents to autonomously determine their position, navigate, and operate effectively in GNSS-denied environments. Current research employs a variety of techniques to reduce the domain gap such as applying polar transforms to aerial images or synthesising between perspectives. However, these approaches generally rely on having a 360{\deg} field of view, limiting real-world feasibility. We propose BEV-CV, an approach introducing two key novelties with a focus on improving the real-world viability of cross-view geo-localisation. Firstly bringing ground-level images into a semantic Birds-Eye-View before matching embeddings, allowing for direct comparison with aerial image representations. Secondly, we adapt datasets into application realistic format - limited Field-of-View images aligned to vehicle direction. BEV-CV achieves state-of-the-art recall accuracies, improving Top-1 rates of 70{\deg} crops of CVUSA and CVACT by 23% and 24% respectively. Also decreasing computational requirements by reducing floating point operations to below previous works, and decreasing embedding dimensionality by 33% - together allowing for faster localisation capabilities.

How can we develop visual analytics (VA) tools that can be easily adopted? Visualization researchers have developed a large number of web-based VA tools to help data scientists in a wide range of tasks. However, adopting these standalone systems can be challenging, as they require data scientists to create new workflows to streamline the VA processes. Recent surveys suggest computational notebooks have been dominating data scientists' analytical workflows, as these notebooks seamlessly combine text, code, and visualization, allowing users to rapidly iterate code experiments. To help visualization researchers develop VA tools that can be easily integrated into existing data science workflows, we present NOVA, a simple and flexible method to adapt web-based VA systems for notebooks. We provide detailed examples of using this method with diverse web development technologies and different types of computational notebooks. Deployed application examples highlight that NOVA is easy to adopt, and data scientists appreciate in-notebook VA. NOVA is available at https://github.com/poloclub/nova.

Writing is, by nature, a strategic, adaptive, and more importantly, an iterative process. A crucial part of writing is editing and revising the text. Previous works on text revision have focused on defining edit intention taxonomies within a single domain or developing computational models with a single level of edit granularity, such as sentence-level edits, which differ from human's revision cycles. This work describes IteraTeR: the first large-scale, multi-domain, edit-intention annotated corpus of iteratively revised text. In particular, IteraTeR is collected based on a new framework to comprehensively model the iterative text revisions that generalize to various domains of formal writing, edit intentions, revision depths, and granularities. When we incorporate our annotated edit intentions, both generative and edit-based text revision models significantly improve automatic evaluations. Through our work, we better understand the text revision process, making vital connections between edit intentions and writing quality, enabling the creation of diverse corpora to support computational modeling of iterative text revisions.

Image super-resolution (SR) has witnessed extensive neural network designs from CNN to transformer architectures. However, prevailing SR models suffer from prohibitive memory footprint and intensive computations, which limits further deployment on edge devices. This work investigates the potential of network pruning for super-resolution to take advantage of off-the-shelf network designs and reduce the underlying computational overhead. Two main challenges remain in applying pruning methods for SR. First, the widely-used filter pruning technique reflects limited granularity and restricted adaptability to diverse network structures. Second, existing pruning methods generally operate upon a pre-trained network for the sparse structure determination, hard to get rid of dense model training in the traditional SR paradigm. To address these challenges, we adopt unstructured pruning with sparse models directly trained from scratch. Specifically, we propose a novel Iterative Soft Shrinkage-Percentage (ISS-P) method by optimizing the sparse structure of a randomly initialized network at each iteration and tweaking unimportant weights with a small amount proportional to the magnitude scale on-the-fly. We observe that the proposed ISS-P can dynamically learn sparse structures adapting to the optimization process and preserve the sparse model's trainability by yielding a more regularized gradient throughput. Experiments on benchmark datasets demonstrate the effectiveness of the proposed ISS-P over diverse network architectures. Code is available at https://github.com/Jiamian-Wang/Iterative-Soft-Shrinkage-SR