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Oct 29

Trace is the New AutoDiff -- Unlocking Efficient Optimization of Computational Workflows

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

  • 3 authors
·
Jun 23, 2024 1

Computational reproducibility of Jupyter notebooks from biomedical publications

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.

  • 2 authors
·
Aug 10, 2023

Snapshot Reinforcement Learning: Leveraging Prior Trajectories for Efficiency

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.

  • 5 authors
·
Mar 1, 2024

ReaLHF: Optimized RLHF Training for Large Language Models through Parameter Reallocation

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 .

  • 6 authors
·
Jun 20, 2024

Predicting In-game Actions from Interviews of NBA Players

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.

  • 3 authors
·
Oct 24, 2019

Keyformer: KV Cache Reduction through Key Tokens Selection for Efficient Generative Inference

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.

  • 6 authors
·
Mar 13, 2024

NuClick: A Deep Learning Framework for Interactive Segmentation of Microscopy Images

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.

  • 4 authors
·
May 29, 2020

CUDA-LLM: LLMs Can Write Efficient CUDA Kernels

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.

  • 5 authors
·
Jun 10

Cross-lingual Argument Mining in the Medical Domain

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.

  • 2 authors
·
Jan 25, 2023

An efficient Asymptotic-Preserving scheme for the Boltzmann mixture with disparate mass

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.

  • 3 authors
·
Nov 20, 2024

Bio-inspired computational memory model of the Hippocampus: an approach to a neuromorphic spike-based Content-Addressable Memory

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.

  • 5 authors
·
Oct 9, 2023

Achieving Sample and Computational Efficient Reinforcement Learning by Action Space Reduction via Grouping

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.

  • 3 authors
·
Jun 22, 2023

Compliance Cards: Computational Artifacts for Automated AI Regulation Compliance

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.

  • 7 authors
·
Jun 20, 2024

For a semiotic AI: Bridging computer vision and visual semiotics for computational observation of large scale facial image archives

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.

  • 7 authors
·
Jul 3, 2024

How to Handle Different Types of Out-of-Distribution Scenarios in Computational Argumentation? A Comprehensive and Fine-Grained Field Study

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.

  • 3 authors
·
Sep 15, 2023

MRAC Track 1: 2nd Workshop on Multimodal, Generative and Responsible Affective Computing

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/

  • 6 authors
·
Sep 11, 2024

Feature Re-Embedding: Towards Foundation Model-Level Performance in Computational Pathology

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.

  • 6 authors
·
Feb 27, 2024

Revisiting End-to-End Learning with Slide-level Supervision in Computational Pathology

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.

  • 7 authors
·
Jun 2 1

ColBERT: Using BERT Sentence Embedding in Parallel Neural Networks for Computational Humor

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.

  • 2 authors
·
Apr 27, 2020 1

CORE-Bench: Fostering the Credibility of Published Research Through a Computational Reproducibility Agent Benchmark

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.

  • 5 authors
·
Sep 17, 2024 2

Zeppelin: Balancing Variable-length Workloads in Data Parallel Large Model Training

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.

  • 10 authors
·
Sep 26

Reinforcement Learning for Reasoning in Small LLMs: What Works and What Doesn't

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.

  • 2 authors
·
Mar 20 23

Math Agents: Computational Infrastructure, Mathematical Embedding, and Genomics

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.

  • 4 authors
·
Jul 4, 2023

HDFlow: Enhancing LLM Complex Problem-Solving with Hybrid Thinking and Dynamic Workflows

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.}.

  • 3 authors
·
Sep 25, 2024 2

A General-Purpose Self-Supervised Model for Computational Pathology

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.

  • 20 authors
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Aug 29, 2023

Concept-Centric Transformers: Enhancing Model Interpretability through Object-Centric Concept Learning within a Shared Global Workspace

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.

  • 3 authors
·
May 25, 2023

Don't Think It Twice: Exploit Shift Invariance for Efficient Online Streaming Inference of CNNs

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.

  • 4 authors
·
Aug 6, 2024

AdaFocus V2: End-to-End Training of Spatial Dynamic Networks for Video Recognition

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.

  • 9 authors
·
Dec 28, 2021

Inverse-LLaVA: Eliminating Alignment Pre-training Through Text-to-Vision Mapping

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.

  • 2 authors
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Aug 17 2

InftyThink: Breaking the Length Limits of Long-Context Reasoning in Large Language Models

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.

  • 7 authors
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Mar 9

From Thinking to Output: Chain-of-Thought and Text Generation Characteristics in Reasoning Language Models

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

  • 6 authors
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Jun 20

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials

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.

  • 8 authors
·
Aug 14, 2024

Attention Is Not All You Need Anymore

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.

  • 1 authors
·
Aug 15, 2023

Human-like Episodic Memory for Infinite Context LLMs

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.

  • 7 authors
·
Jul 12, 2024 6

CogniPair: From LLM Chatbots to Conscious AI Agents -- GNWT-Based Multi-Agent Digital Twins for Social Pairing -- Dating & Hiring Applications

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.

  • 19 authors
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Jun 3

Self-slimmed Vision Transformer

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.

  • 7 authors
·
Nov 24, 2021

Train Long, Think Short: Curriculum Learning for Efficient Reasoning

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.

  • 6 authors
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Aug 12 2

A-SDM: Accelerating Stable Diffusion through Redundancy Removal and Performance Optimization

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.

  • 6 authors
·
Dec 24, 2023

Synergistic Fusion of Multi-Source Knowledge via Evidence Theory for High-Entropy Alloy Discovery

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.

  • 9 authors
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Feb 20

EfficientAD: Accurate Visual Anomaly Detection at Millisecond-Level Latencies

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.

  • 3 authors
·
Mar 25, 2023

arXivEdits: Understanding the Human Revision Process in Scientific Writing

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.

  • 3 authors
·
Oct 26, 2022

Understanding of the properties of neural network approaches for transient light curve approximations

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.

  • 7 authors
·
Sep 15, 2022

BEV-CV: Birds-Eye-View Transform for Cross-View Geo-Localisation

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.

  • 3 authors
·
Dec 23, 2023

Reasoning Vectors: Transferring Chain-of-Thought Capabilities via Task Arithmetic

Large language models often require costly optimization, such as reinforcement learning, to master complex reasoning tasks. This work demonstrates that reasoning ability, once learned, can be extracted and transferred between models as a compact task vector. We source two publicly available, identically initialized Qwen2.5 models, one fine-tuned with supervised fine-tuning (SFT) and the other with group relative policy optimization (GRPO) on the same dataset. From these, we extract a reasoning vector: v_{reason} = theta_{GRPO} - theta_{SFT}. We hypothesize that this vector captures the reasoning capability instilled by reinforcement learning while factoring out shared knowledge from the SFT process. When added to compatible instruction-tuned models through simple arithmetic, this vector consistently improves performance across diverse reasoning benchmarks: GSM8K (+4.9%), HumanEval (+4.3%), SciQ (+1.7%), and BigBenchHard (+12.3% for the 1.5B model). The performance improvements persist under adversarial conditions. Conversely, subtracting the vector causes significant performance degradation (-11.8% on GSM8K), demonstrating the vector's strong contribution to the model's reasoning abilities. This work shows how reasoning capabilities, typically developed through expensive training, can be extracted from existing open-source models and reused through simple tensor arithmetic, offering a practical way to enhance models by recycling prior computational investments.

  • 3 authors
·
Sep 1 1

MaskLLM: Learnable Semi-Structured Sparsity for Large Language Models

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. Instead of developing a new importance criterion, MaskLLM explicitly models N:M patterns as a learnable distribution through Gumbel Softmax sampling. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights. Furthermore, MaskLLM's learnable nature allows customized masks for lossless application of 2:4 sparsity to downstream tasks or domains. Code is available at https://github.com/NVlabs/MaskLLM.

  • 8 authors
·
Sep 25, 2024 3

Hardware Acceleration for Real-Time Wildfire Detection Onboard Drone Networks

Early wildfire detection in remote and forest areas is crucial for minimizing devastation and preserving ecosystems. Autonomous drones offer agile access to remote, challenging terrains, equipped with advanced imaging technology that delivers both high-temporal and detailed spatial resolution, making them valuable assets in the early detection and monitoring of wildfires. However, the limited computation and battery resources of Unmanned Aerial Vehicles (UAVs) pose significant challenges in implementing robust and efficient image classification models. Current works in this domain often operate offline, emphasizing the need for solutions that can perform inference in real time, given the constraints of UAVs. To address these challenges, this paper aims to develop a real-time image classification and fire segmentation model. It presents a comprehensive investigation into hardware acceleration using the Jetson Nano P3450 and the implications of TensorRT, NVIDIA's high-performance deep-learning inference library, on fire classification accuracy and speed. The study includes implementations of Quantization Aware Training (QAT), Automatic Mixed Precision (AMP), and post-training mechanisms, comparing them against the latest baselines for fire segmentation and classification. All experiments utilize the FLAME dataset - an image dataset collected by low-altitude drones during a prescribed forest fire. This work contributes to the ongoing efforts to enable real-time, on-board wildfire detection capabilities for UAVs, addressing speed and the computational and energy constraints of these crucial monitoring systems. The results show a 13% increase in classification speed compared to similar models without hardware optimization. Comparatively, loss and accuracy are within 1.225% of the original values.

  • 2 authors
·
Jan 15, 2024

On the Effect of Token Merging on Pre-trained Models for Code

Tokenization is a fundamental component of language models for code. It involves breaking down the input into units that are later passed to the language model stack to learn high-dimensional representations used in various contexts, from classification to generation. However, the output of these tokenizers is often longer than that traditionally used in compilers and interpreters. This could result in undesirable effects, such as increased computational overhead. In this work, we investigate the effect of merging the hidden representations of subtokens that belong to the same semantic unit, such as subtokens that form a single identifier. We propose two strategies: one based on averaging the representations and another that leverages a learning-based approach. Both methods can be seamlessly integrated with existing language models for code. We conduct experiments using six language models for code: CodeBERT, GraphCodeBERT, UniXCoder, CdoeT5, CodeT5+ (220M), and CodeT5+ (770M), across three software engineering tasks: vulnerability detection, code classification, and code translation. Results show that these strategies can reduce the number of floating-point operations by 1% to 19%. Regarding downstream performance, the most significant degradation was observed in the vulnerability detection task, where the F1 score decreased by 1.82 points compared to the baseline. In contrast, for code translation, we observed an improvement of 2.47 points in CodeBLEU. This work contributes to the broader effort of improving language models for code across multiple dimensions, including both computational efficiency and downstream performance.

  • 4 authors
·
Jul 18

Cross-D Conv: Cross-Dimensional Transferable Knowledge Base via Fourier Shifting Operation

In biomedical imaging analysis, the dichotomy between 2D and 3D data presents a significant challenge. While 3D volumes offer superior real-world applicability, they are less available for each modality and not easy to train in large scale, whereas 2D samples are abundant but less comprehensive. This paper introduces the Cross-D Conv operation, a novel approach that bridges the dimensional gap by learning the phase shifting in the Fourier domain. Our method enables seamless weight transfer between 2D and 3D convolution operations, effectively facilitating cross-dimensional learning. The proposed architecture leverages the abundance of 2D training data to enhance 3D model performance, offering a practical solution to the multimodal data scarcity challenge in 3D medical model pretraining. Experimental validation on the RadImagenet (2D) and multimodal (3D) sets demonstrates that our approach achieves comparable or superior performance in feature quality assessment comparable to conventional methods. The enhanced convolution operation presents new opportunities for developing efficient classification and segmentation models in medical imaging. This work represents an advancement in cross-dimensional and multi-modal medical image analysis, offering a robust framework for utilizing 2D priors in 3D model pretraining or vice versa while maintaining computational efficiency.

  • 2 authors
·
Nov 2, 2024

Can Transformers Do Enumerative Geometry?

How can Transformers model and learn enumerative geometry? What is a robust procedure for using Transformers in abductive knowledge discovery within a mathematician-machine collaboration? In this work, we introduce a Transformer-based approach to computational enumerative geometry, specifically targeting the computation of psi-class intersection numbers on the moduli space of curves. By reformulating the problem as a continuous optimization task, we compute intersection numbers across a wide value range from 10^{-45} to 10^{45}. To capture the recursive nature inherent in these intersection numbers, we propose the Dynamic Range Activator (DRA), a new activation function that enhances the Transformer's ability to model recursive patterns and handle severe heteroscedasticity. Given precision requirements for computing the intersections, we quantify the uncertainty of the predictions using Conformal Prediction with a dynamic sliding window adaptive to the partitions of equivalent number of marked points. To the best of our knowledge, there has been no prior work on modeling recursive functions with such a high-variance and factorial growth. Beyond simply computing intersection numbers, we explore the enumerative "world-model" of Transformers. Our interpretability analysis reveals that the network is implicitly modeling the Virasoro constraints in a purely data-driven manner. Moreover, through abductive hypothesis testing, probing, and causal inference, we uncover evidence of an emergent internal representation of the the large-genus asymptotic of psi-class intersection numbers. These findings suggest that the network internalizes the parameters of the asymptotic closed-form and the polynomiality phenomenon of psi-class intersection numbers in a non-linear manner.

  • 3 authors
·
Aug 27, 2024

Generating Pragmatic Examples to Train Neural Program Synthesizers

Programming-by-example is the task of synthesizing a program that is consistent with a set of user-provided input-output examples. As examples are often an under-specification of one's intent, a good synthesizer must choose the intended program from the many that are consistent with the given set of examples. Prior work frames program synthesis as a cooperative game between a listener (that synthesizes programs) and a speaker (a user choosing examples), and shows that models of computational pragmatic inference are effective in choosing the user intended programs. However, these models require counterfactual reasoning over a large set of programs and examples, which is infeasible in realistic program spaces. In this paper, we propose a novel way to amortize this search with neural networks. We sample pairs of programs and examples via self-play between listener and speaker models, and use pragmatic inference to choose informative training examples from this sample.We then use the informative dataset to train models to improve the synthesizer's ability to disambiguate user-provided examples without human supervision. We validate our method on the challenging task of synthesizing regular expressions from example strings, and find that our method (1) outperforms models trained without choosing pragmatic examples by 23% (a 51% relative increase) (2) matches the performance of supervised learning on a dataset of pragmatic examples provided by humans, despite using no human data in training.

  • 3 authors
·
Nov 9, 2023

Less is More: Reducing Task and Model Complexity for 3D Point Cloud Semantic Segmentation

Whilst the availability of 3D LiDAR point cloud data has significantly grown in recent years, annotation remains expensive and time-consuming, leading to a demand for semi-supervised semantic segmentation methods with application domains such as autonomous driving. Existing work very often employs relatively large segmentation backbone networks to improve segmentation accuracy, at the expense of computational costs. In addition, many use uniform sampling to reduce ground truth data requirements for learning needed, often resulting in sub-optimal performance. To address these issues, we propose a new pipeline that employs a smaller architecture, requiring fewer ground-truth annotations to achieve superior segmentation accuracy compared to contemporary approaches. This is facilitated via a novel Sparse Depthwise Separable Convolution module that significantly reduces the network parameter count while retaining overall task performance. To effectively sub-sample our training data, we propose a new Spatio-Temporal Redundant Frame Downsampling (ST-RFD) method that leverages knowledge of sensor motion within the environment to extract a more diverse subset of training data frame samples. To leverage the use of limited annotated data samples, we further propose a soft pseudo-label method informed by LiDAR reflectivity. Our method outperforms contemporary semi-supervised work in terms of mIoU, using less labeled data, on the SemanticKITTI (59.5@5%) and ScribbleKITTI (58.1@5%) benchmark datasets, based on a 2.3x reduction in model parameters and 641x fewer multiply-add operations whilst also demonstrating significant performance improvement on limited training data (i.e., Less is More).

  • 3 authors
·
Mar 20, 2023

Iterative Soft Shrinkage Learning for Efficient Image Super-Resolution

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

  • 5 authors
·
Mar 16, 2023

Dialog2Flow: Pre-training Soft-Contrastive Action-Driven Sentence Embeddings for Automatic Dialog Flow Extraction

Efficiently deriving structured workflows from unannotated dialogs remains an underexplored and formidable challenge in computational linguistics. Automating this process could significantly accelerate the manual design of workflows in new domains and enable the grounding of large language models in domain-specific flowcharts, enhancing transparency and controllability. In this paper, we introduce Dialog2Flow (D2F) embeddings, which differ from conventional sentence embeddings by mapping utterances to a latent space where they are grouped according to their communicative and informative functions (i.e., the actions they represent). D2F allows for modeling dialogs as continuous trajectories in a latent space with distinct action-related regions. By clustering D2F embeddings, the latent space is quantized, and dialogs can be converted into sequences of region/action IDs, facilitating the extraction of the underlying workflow. To pre-train D2F, we build a comprehensive dataset by unifying twenty task-oriented dialog datasets with normalized per-turn action annotations. We also introduce a novel soft contrastive loss that leverages the semantic information of these actions to guide the representation learning process, showing superior performance compared to standard supervised contrastive loss. Evaluation against various sentence embeddings, including dialog-specific ones, demonstrates that D2F yields superior qualitative and quantitative results across diverse domains.

  • 3 authors
·
Oct 24, 2024 2

Recursive Speculative Decoding: Accelerating LLM Inference via Sampling Without Replacement

Speculative decoding is an inference-acceleration method for large language models (LLMs) where a small language model generates a draft-token sequence which is further verified by the target LLM in parallel. Recent works have advanced this method by establishing a draft-token tree, achieving superior performance over a single-sequence speculative decoding. However, those works independently generate tokens at each level of the tree, not leveraging the tree's entire diversifiability. Besides, their empirical superiority has been shown for fixed length of sequences, implicitly granting more computational resource to LLM for the tree-based methods. None of the existing works has conducted empirical studies with fixed target computational budgets despite its importance to resource-bounded devices. We present Recursive Speculative Decoding (RSD), a novel tree-based method that samples draft tokens without replacement and maximizes the diversity of the tree. During RSD's drafting, the tree is built by either Gumbel-Top-k trick that draws tokens without replacement in parallel or Stochastic Beam Search that samples sequences without replacement while early-truncating unlikely draft sequences and reducing the computational cost of LLM. We empirically evaluate RSD with Llama 2 and OPT models, showing that RSD outperforms the baseline methods, consistently for fixed draft sequence length and in most cases for fixed computational budgets at LLM.

  • 6 authors
·
Feb 21, 2024

ShowUI: One Vision-Language-Action Model for GUI Visual Agent

Building Graphical User Interface (GUI) assistants holds significant promise for enhancing human workflow productivity. While most agents are language-based, relying on closed-source API with text-rich meta-information (e.g., HTML or accessibility tree), they show limitations in perceiving UI visuals as humans do, highlighting the need for GUI visual agents. In this work, we develop a vision-language-action model in digital world, namely ShowUI, which features the following innovations: (i) UI-Guided Visual Token Selection to reduce computational costs by formulating screenshots as an UI connected graph, adaptively identifying their redundant relationship and serve as the criteria for token selection during self-attention blocks; (ii) Interleaved Vision-Language-Action Streaming that flexibly unifies diverse needs within GUI tasks, enabling effective management of visual-action history in navigation or pairing multi-turn query-action sequences per screenshot to enhance training efficiency; (iii) Small-scale High-quality GUI Instruction-following Datasets by careful data curation and employing a resampling strategy to address significant data type imbalances. With above components, ShowUI, a lightweight 2B model using 256K data, achieves a strong 75.1% accuracy in zero-shot screenshot grounding. Its UI-guided token selection further reduces 33% of redundant visual tokens during training and speeds up the performance by 1.4x. Navigation experiments across web Mind2Web, mobile AITW, and online MiniWob environments further underscore the effectiveness and potential of our model in advancing GUI visual agents. The models are available at https://github.com/showlab/ShowUI.

  • 9 authors
·
Nov 26, 2024 3

MoE-LLaVA: Mixture of Experts for Large Vision-Language Models

For Large Vision-Language Models (LVLMs), scaling the model can effectively improve performance. However, expanding model parameters significantly increases the training and inferring costs, as all model parameters are activated for each token in the calculation. In this work, we propose a novel training strategy MoE-tuning for LVLMs, which can constructing a sparse model with an outrageous number of parameter but a constant computational cost, and effectively addresses the performance degradation typically associated with multi-modal learning and model sparsity. Furthermore, we present the MoE-LLaVA framework, a MoE-based sparse LVLM architecture. This framework uniquely activates only the top-k experts through routers during deployment, keeping the remaining experts inactive. Our extensive experiments highlight the excellent capabilities of MoE-LLaVA in visual understanding and its potential to reduce hallucinations in model outputs. Remarkably, with just 3 billion sparsely activated parameters, MoE-LLaVA demonstrates performance comparable to the LLaVA-1.5-7B on various visual understanding datasets and even surpasses the LLaVA-1.5-13B in object hallucination benchmarks. Through MoE-LLaVA, we aim to establish a baseline for sparse LVLMs and provide valuable insights for future research in developing more efficient and effective multi-modal learning systems. Code is released at https://github.com/PKU-YuanGroup/MoE-LLaVA.

  • 9 authors
·
Jan 29, 2024 4

Sparser Block-Sparse Attention via Token Permutation

Scaling the context length of large language models (LLMs) offers significant benefits but is computationally expensive. This expense stems primarily from the self-attention mechanism, whose O(N^2) complexity with respect to sequence length presents a major bottleneck for both memory and latency. Fortunately, the attention matrix is often sparse, particularly for long sequences, suggesting an opportunity for optimization. Block-sparse attention has emerged as a promising solution that partitions sequences into blocks and skips computation for a subset of these blocks. However, the effectiveness of this method is highly dependent on the underlying attention patterns, which can lead to sub-optimal block-level sparsity. For instance, important key tokens for queries within a single block may be scattered across numerous other blocks, leading to computational redundancy. In this work, we propose Permuted Block-Sparse Attention (PBS-Attn), a plug-and-play method that leverages the permutation properties of attention to increase block-level sparsity and enhance the computational efficiency of LLM prefilling. We conduct comprehensive experiments on challenging real-world long-context datasets, demonstrating that PBS-Attn consistently outperforms existing block-sparse attention methods in model accuracy and closely matches the full attention baseline. Powered by our custom permuted-FlashAttention kernels, PBS-Attn achieves an end-to-end speedup of up to 2.75times in long-context prefilling, confirming its practical viability. Code available at https://github.com/xinghaow99/pbs-attn

Training-free Diffusion Acceleration with Bottleneck Sampling

Diffusion models have demonstrated remarkable capabilities in visual content generation but remain challenging to deploy due to their high computational cost during inference. This computational burden primarily arises from the quadratic complexity of self-attention with respect to image or video resolution. While existing acceleration methods often compromise output quality or necessitate costly retraining, we observe that most diffusion models are pre-trained at lower resolutions, presenting an opportunity to exploit these low-resolution priors for more efficient inference without degrading performance. In this work, we introduce Bottleneck Sampling, a training-free framework that leverages low-resolution priors to reduce computational overhead while preserving output fidelity. Bottleneck Sampling follows a high-low-high denoising workflow: it performs high-resolution denoising in the initial and final stages while operating at lower resolutions in intermediate steps. To mitigate aliasing and blurring artifacts, we further refine the resolution transition points and adaptively shift the denoising timesteps at each stage. We evaluate Bottleneck Sampling on both image and video generation tasks, where extensive experiments demonstrate that it accelerates inference by up to 3times for image generation and 2.5times for video generation, all while maintaining output quality comparable to the standard full-resolution sampling process across multiple evaluation metrics. Code is available at: https://github.com/tyfeld/Bottleneck-Sampling

  • 9 authors
·
Mar 24 4

Understanding Visual Feature Reliance through the Lens of Complexity

Recent studies suggest that deep learning models inductive bias towards favoring simpler features may be one of the sources of shortcut learning. Yet, there has been limited focus on understanding the complexity of the myriad features that models learn. In this work, we introduce a new metric for quantifying feature complexity, based on V-information and capturing whether a feature requires complex computational transformations to be extracted. Using this V-information metric, we analyze the complexities of 10,000 features, represented as directions in the penultimate layer, that were extracted from a standard ImageNet-trained vision model. Our study addresses four key questions: First, we ask what features look like as a function of complexity and find a spectrum of simple to complex features present within the model. Second, we ask when features are learned during training. We find that simpler features dominate early in training, and more complex features emerge gradually. Third, we investigate where within the network simple and complex features flow, and find that simpler features tend to bypass the visual hierarchy via residual connections. Fourth, we explore the connection between features complexity and their importance in driving the networks decision. We find that complex features tend to be less important. Surprisingly, important features become accessible at earlier layers during training, like a sedimentation process, allowing the model to build upon these foundational elements.

  • 5 authors
·
Jul 8, 2024 1

NeurIPS 2025 E2LM Competition : Early Training Evaluation of Language Models

Existing benchmarks have proven effective for assessing the performance of fully trained large language models. However, we find striking differences in the early training stages of small models, where benchmarks often fail to provide meaningful or discriminative signals. To explore how these differences arise, this competition tackles the challenge of designing scientific knowledge evaluation tasks specifically tailored for measuring early training progress of language models. Participants are invited to develop novel evaluation methodologies or adapt existing benchmarks to better capture performance differences among language models. To support this effort, we provide three pre-trained small models (0.5B, 1B, and 3B parameters), along with intermediate checkpoints sampled during training up to 200B tokens. All experiments and development work can be run on widely available free cloud-based GPU platforms, making participation accessible to researchers with limited computational resources. Submissions will be evaluated based on three criteria: the quality of the performance signal they produce, the consistency of model rankings at 1 trillion tokens of training, and their relevance to the scientific knowledge domain. By promoting the design of tailored evaluation strategies for early training, this competition aims to attract a broad range of participants from various disciplines, including those who may not be machine learning experts or have access to dedicated GPU resources. Ultimately, this initiative seeks to make foundational LLM research more systematic and benchmark-informed from the earliest phases of model development.

  • 15 authors
·
Jun 9

Alfie: Democratising RGBA Image Generation With No $$$

Designs and artworks are ubiquitous across various creative fields, requiring graphic design skills and dedicated software to create compositions that include many graphical elements, such as logos, icons, symbols, and art scenes, which are integral to visual storytelling. Automating the generation of such visual elements improves graphic designers' productivity, democratizes and innovates the creative industry, and helps generate more realistic synthetic data for related tasks. These illustration elements are mostly RGBA images with irregular shapes and cutouts, facilitating blending and scene composition. However, most image generation models are incapable of generating such images and achieving this capability requires expensive computational resources, specific training recipes, or post-processing solutions. In this work, we propose a fully-automated approach for obtaining RGBA illustrations by modifying the inference-time behavior of a pre-trained Diffusion Transformer model, exploiting the prompt-guided controllability and visual quality offered by such models with no additional computational cost. We force the generation of entire subjects without sharp croppings, whose background is easily removed for seamless integration into design projects or artistic scenes. We show with a user study that, in most cases, users prefer our solution over generating and then matting an image, and we show that our generated illustrations yield good results when used as inputs for composite scene generation pipelines. We release the code at https://github.com/aimagelab/Alfie.

  • 4 authors
·
Aug 27, 2024

WCCNet: Wavelet-integrated CNN with Crossmodal Rearranging Fusion for Fast Multispectral Pedestrian Detection

Multispectral pedestrian detection achieves better visibility in challenging conditions and thus has a broad application in various tasks, for which both the accuracy and computational cost are of paramount importance. Most existing approaches treat RGB and infrared modalities equally, typically adopting two symmetrical CNN backbones for multimodal feature extraction, which ignores the substantial differences between modalities and brings great difficulty for the reduction of the computational cost as well as effective crossmodal fusion. In this work, we propose a novel and efficient framework named WCCNet that is able to differentially extract rich features of different spectra with lower computational complexity and semantically rearranges these features for effective crossmodal fusion. Specifically, the discrete wavelet transform (DWT) allowing fast inference and training speed is embedded to construct a dual-stream backbone for efficient feature extraction. The DWT layers of WCCNet extract frequency components for infrared modality, while the CNN layers extract spatial-domain features for RGB modality. This methodology not only significantly reduces the computational complexity, but also improves the extraction of infrared features to facilitate the subsequent crossmodal fusion. Based on the well extracted features, we elaborately design the crossmodal rearranging fusion module (CMRF), which can mitigate spatial misalignment and merge semantically complementary features of spatially-related local regions to amplify the crossmodal complementary information. We conduct comprehensive evaluations on KAIST and FLIR benchmarks, in which WCCNet outperforms state-of-the-art methods with considerable computational efficiency and competitive accuracy. We also perform the ablation study and analyze thoroughly the impact of different components on the performance of WCCNet.

  • 4 authors
·
Aug 2, 2023

Flow Matching in Latent Space

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods still face the challenges of expensive computing and a large number of function evaluations of off-the-shelf solvers in the pixel space. Furthermore, although latent-based generative methods have shown great success in recent years, this particular model type remains underexplored in this area. In this work, we propose to apply flow matching in the latent spaces of pretrained autoencoders, which offers improved computational efficiency and scalability for high-resolution image synthesis. This enables flow-matching training on constrained computational resources while maintaining their quality and flexibility. Additionally, our work stands as a pioneering contribution in the integration of various conditions into flow matching for conditional generation tasks, including label-conditioned image generation, image inpainting, and semantic-to-image generation. Through extensive experiments, our approach demonstrates its effectiveness in both quantitative and qualitative results on various datasets, such as CelebA-HQ, FFHQ, LSUN Church & Bedroom, and ImageNet. We also provide a theoretical control of the Wasserstein-2 distance between the reconstructed latent flow distribution and true data distribution, showing it is upper-bounded by the latent flow matching objective. Our code will be available at https://github.com/VinAIResearch/LFM.git.

  • 4 authors
·
Jul 17, 2023

Edge-MoE: Memory-Efficient Multi-Task Vision Transformer Architecture with Task-level Sparsity via Mixture-of-Experts

Computer vision researchers are embracing two promising paradigms: Vision Transformers (ViTs) and Multi-task Learning (MTL), which both show great performance but are computation-intensive, given the quadratic complexity of self-attention in ViT and the need to activate an entire large MTL model for one task. M^3ViT is the latest multi-task ViT model that introduces mixture-of-experts (MoE), where only a small portion of subnetworks ("experts") are sparsely and dynamically activated based on the current task. M^3ViT achieves better accuracy and over 80% computation reduction but leaves challenges for efficient deployment on FPGA. Our work, dubbed Edge-MoE, solves the challenges to introduce the first end-to-end FPGA accelerator for multi-task ViT with a collection of architectural innovations, including (1) a novel reordering mechanism for self-attention, which requires only constant bandwidth regardless of the target parallelism; (2) a fast single-pass softmax approximation; (3) an accurate and low-cost GELU approximation; (4) a unified and flexible computing unit that is shared by almost all computational layers to maximally reduce resource usage; and (5) uniquely for M^3ViT, a novel patch reordering method to eliminate memory access overhead. Edge-MoE achieves 2.24x and 4.90x better energy efficiency comparing with GPU and CPU, respectively. A real-time video demonstration is available online, along with our open-source code written using High-Level Synthesis.

  • 5 authors
·
May 29, 2023

Fast and Accurate Model Scaling

In this work we analyze strategies for convolutional neural network scaling; that is, the process of scaling a base convolutional network to endow it with greater computational complexity and consequently representational power. Example scaling strategies may include increasing model width, depth, resolution, etc. While various scaling strategies exist, their tradeoffs are not fully understood. Existing analysis typically focuses on the interplay of accuracy and flops (floating point operations). Yet, as we demonstrate, various scaling strategies affect model parameters, activations, and consequently actual runtime quite differently. In our experiments we show the surprising result that numerous scaling strategies yield networks with similar accuracy but with widely varying properties. This leads us to propose a simple fast compound scaling strategy that encourages primarily scaling model width, while scaling depth and resolution to a lesser extent. Unlike currently popular scaling strategies, which result in about O(s) increase in model activation w.r.t. scaling flops by a factor of s, the proposed fast compound scaling results in close to O(s) increase in activations, while achieving excellent accuracy. This leads to comparable speedups on modern memory-limited hardware (e.g., GPU, TPU). More generally, we hope this work provides a framework for analyzing and selecting scaling strategies under various computational constraints.

  • 3 authors
·
Mar 11, 2021 1

Causal2Vec: Improving Decoder-only LLMs as Versatile Embedding Models

Decoder-only large language models (LLMs) are increasingly used to build embedding models that effectively encode the semantic information of natural language texts into dense vector representations for various embedding tasks. However, many existing methods primarily focus on removing the causal attention mask in LLMs to enable bidirectional attention, potentially undermining the model's ability to extract semantic information acquired during pretraining. Additionally, leading unidirectional approaches often rely on extra input text to overcome the inherent limitations of causal attention, inevitably increasing computational costs. In this work, we propose Causal2Vec, a general-purpose embedding model tailored to enhance the performance of decoder-only LLMs without altering their original architectures or introducing significant computational overhead. Specifically, we first employ a lightweight BERT-style model to pre-encode the input text into a single Contextual token, which is then prepended to the LLM's input sequence, allowing each token to capture contextualized information even without attending to future tokens. Furthermore, to mitigate the recency bias introduced by last-token pooling and help LLMs better leverage the semantic information encoded in the Contextual token, we concatenate the last hidden states of Contextual and EOS tokens as the final text embedding. In practice, Causal2Vec achieves state-of-the-art performance on the Massive Text Embeddings Benchmark (MTEB) among models trained solely on publicly available retrieval datasets, while reducing the required sequence length by up to 85% and inference time by up to 82% compared to best-performing methods.

  • 3 authors
·
Jul 31

Protenix-Mini: Efficient Structure Predictor via Compact Architecture, Few-Step Diffusion and Switchable pLM

Lightweight inference is critical for biomolecular structure prediction and other downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. In this work, we address the challenge of balancing model efficiency and prediction accuracy by making several key modifications, 1) Multi-step AF3 sampler is replaced by a few-step ODE sampler, significantly reducing computational overhead for the diffusion module part during inference; 2) In the open-source Protenix framework, a subset of pairformer or diffusion transformer blocks doesn't make contributions to the final structure prediction, presenting opportunities for architectural pruning and lightweight redesign; 3) A model incorporating an ESM module is trained to substitute the conventional MSA module, reducing MSA preprocessing time. Building on these key insights, we present Protenix-Mini, a compact and optimized model designed for efficient protein structure prediction. This streamlined version incorporates a more efficient architectural design with a two-step Ordinary Differential Equation (ODE) sampling strategy. By eliminating redundant Transformer components and refining the sampling process, Protenix-Mini significantly reduces model complexity with slight accuracy drop. Evaluations on benchmark datasets demonstrate that it achieves high-fidelity predictions, with only a negligible 1 to 5 percent decrease in performance on benchmark datasets compared to its full-scale counterpart. This makes Protenix-Mini an ideal choice for applications where computational resources are limited but accurate structure prediction remains crucial.

  • 6 authors
·
Jul 15

Rethinking Uncertainty Estimation in Natural Language Generation

Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Since current LLMs generate text autoregressively through a stochastic process, the same prompt can lead to varying outputs. Consequently, leading uncertainty estimation methods generate and analyze multiple output sequences to determine the LLM's uncertainty. However, generating output sequences is computationally expensive, making these methods impractical at scale. In this work, we inspect the theoretical foundations of the leading methods and explore new directions to enhance their computational efficiency. Building on the framework of proper scoring rules, we find that the negative log-likelihood of the most likely output sequence constitutes a theoretically grounded uncertainty measure. To approximate this alternative measure, we propose G-NLL, which has the advantage of being obtained using only a single output sequence generated by greedy decoding. This makes uncertainty estimation more efficient and straightforward, while preserving theoretical rigor. Empirical results demonstrate that G-NLL achieves state-of-the-art performance across various LLMs and tasks. Our work lays the foundation for efficient and reliable uncertainty estimation in natural language generation, challenging the necessity of more computationally involved methods currently leading the field.

  • 3 authors
·
Dec 19, 2024

Breast Tumor Classification Using EfficientNet Deep Learning Model

Precise breast cancer classification on histopathological images has the potential to greatly improve the diagnosis and patient outcome in oncology. The data imbalance problem largely stems from the inherent imbalance within medical image datasets, where certain tumor subtypes may appear much less frequently. This constitutes a considerable limitation in biased model predictions that can overlook critical but rare classes. In this work, we adopted EfficientNet, a state-of-the-art convolutional neural network (CNN) model that balances high accuracy with computational cost efficiency. To address data imbalance, we introduce an intensive data augmentation pipeline and cost-sensitive learning, improving representation and ensuring that the model does not overly favor majority classes. This approach provides the ability to learn effectively from rare tumor types, improving its robustness. Additionally, we fine-tuned the model using transfer learning, where weights in the beginning trained on a binary classification task were adopted to multi-class classification, improving the capability to detect complex patterns within the BreakHis dataset. Our results underscore significant improvements in the binary classification performance, achieving an exceptional recall increase for benign cases from 0.92 to 0.95, alongside an accuracy enhancement from 97.35 % to 98.23%. Our approach improved the performance of multi-class tasks from 91.27% with regular augmentation to 94.54% with intensive augmentation, reaching 95.04% with transfer learning. This framework demonstrated substantial gains in precision in the minority classes, such as Mucinous carcinoma and Papillary carcinoma, while maintaining high recall consistently across these critical subtypes, as further confirmed by confusion matrix analysis.

  • 4 authors
·
Nov 26, 2024

MemoryFormer: Minimize Transformer Computation by Removing Fully-Connected Layers

In order to reduce the computational complexity of large language models, great efforts have been made to to improve the efficiency of transformer models such as linear attention and flash-attention. However, the model size and corresponding computational complexity are constantly scaled up in pursuit of higher performance. In this work, we present MemoryFormer, a novel transformer architecture which significantly reduces the computational complexity (FLOPs) from a new perspective. We eliminate nearly all the computations of the transformer model except for the necessary computation required by the multi-head attention operation. This is made possible by utilizing an alternative method for feature transformation to replace the linear projection of fully-connected layers. Specifically, we first construct a group of in-memory lookup tables that store a large amount of discrete vectors to replace the weight matrix used in linear projection. We then use a hash algorithm to retrieve a correlated subset of vectors dynamically based on the input embedding. The retrieved vectors combined together will form the output embedding, which provides an estimation of the result of matrix multiplication operation in a fully-connected layer. Compared to conducting matrix multiplication, retrieving data blocks from memory is a much cheaper operation which requires little computations. We train MemoryFormer from scratch and conduct extensive experiments on various benchmarks to demonstrate the effectiveness of the proposed model.

  • 9 authors
·
Nov 19, 2024

Serpent: Scalable and Efficient Image Restoration via Multi-scale Structured State Space Models

The landscape of computational building blocks of efficient image restoration architectures is dominated by a combination of convolutional processing and various attention mechanisms. However, convolutional filters, while efficient, are inherently local and therefore struggle with modeling long-range dependencies in images. In contrast, attention excels at capturing global interactions between arbitrary image regions, but suffers from a quadratic cost in image dimension. In this work, we propose Serpent, an efficient architecture for high-resolution image restoration that combines recent advances in state space models (SSMs) with multi-scale signal processing in its core computational block. SSMs, originally introduced for sequence modeling, can maintain a global receptive field with a favorable linear scaling in input size. We propose a novel hierarchical architecture inspired by traditional signal processing principles, that converts the input image into a collection of sequences and processes them in a multi-scale fashion. Our experimental results demonstrate that Serpent can achieve reconstruction quality on par with state-of-the-art techniques, while requiring orders of magnitude less compute (up to 150 fold reduction in FLOPS) and a factor of up to 5times less GPU memory while maintaining a compact model size. The efficiency gains achieved by Serpent are especially notable at high image resolutions.

  • 3 authors
·
Mar 26, 2024

Well-calibrated Confidence Measures for Multi-label Text Classification with a Large Number of Labels

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than 1e+16 combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.

  • 6 authors
·
Dec 14, 2023

Improving Few-Shot Generalization by Exploring and Exploiting Auxiliary Data

Few-shot learning is valuable in many real-world applications, but learning a generalizable model without overfitting to the few labeled datapoints is challenging. In this work, we focus on Few-shot Learning with Auxiliary Data (FLAD), a training paradigm that assumes access to auxiliary data during few-shot learning in hopes of improving generalization. Previous works have proposed automated methods for mixing auxiliary and target data, but these methods typically scale linearly (or worse) with the number of auxiliary datasets, limiting their practicality. In this work we relate FLAD to the explore-exploit dilemma that is central to the multi-armed bandit setting and derive algorithms whose computational complexity is independent of the number of auxiliary datasets, allowing us to scale to 100x more auxiliary datasets than prior methods. We propose two algorithms -- EXP3-FLAD and UCB1-FLAD -- and compare them with prior FLAD methods that either explore or exploit, finding that the combination of exploration and exploitation is crucial. Through extensive experimentation we find that our methods outperform all pre-existing FLAD methods by 4% and lead to the first 3 billion parameter language models that outperform the 175 billion parameter GPT-3. Overall, our work suggests that the discovery of better, more efficient mixing strategies for FLAD may provide a viable path towards substantially improving generalization in few-shot learning.

  • 3 authors
·
Feb 1, 2023

DaViT: Dual Attention Vision Transformers

In this work, we introduce Dual Attention Vision Transformers (DaViT), a simple yet effective vision transformer architecture that is able to capture global context while maintaining computational efficiency. We propose approaching the problem from an orthogonal angle: exploiting self-attention mechanisms with both "spatial tokens" and "channel tokens". With spatial tokens, the spatial dimension defines the token scope, and the channel dimension defines the token feature dimension. With channel tokens, we have the inverse: the channel dimension defines the token scope, and the spatial dimension defines the token feature dimension. We further group tokens along the sequence direction for both spatial and channel tokens to maintain the linear complexity of the entire model. We show that these two self-attentions complement each other: (i) since each channel token contains an abstract representation of the entire image, the channel attention naturally captures global interactions and representations by taking all spatial positions into account when computing attention scores between channels; (ii) the spatial attention refines the local representations by performing fine-grained interactions across spatial locations, which in turn helps the global information modeling in channel attention. Extensive experiments show our DaViT achieves state-of-the-art performance on four different tasks with efficient computations. Without extra data, DaViT-Tiny, DaViT-Small, and DaViT-Base achieve 82.8%, 84.2%, and 84.6% top-1 accuracy on ImageNet-1K with 28.3M, 49.7M, and 87.9M parameters, respectively. When we further scale up DaViT with 1.5B weakly supervised image and text pairs, DaViT-Gaint reaches 90.4% top-1 accuracy on ImageNet-1K. Code is available at https://github.com/dingmyu/davit.

  • 6 authors
·
Apr 7, 2022

Deep Learning Interviews: Hundreds of fully solved job interview questions from a wide range of key topics in AI

The second edition of Deep Learning Interviews is home to hundreds of fully-solved problems, from a wide range of key topics in AI. It is designed to both rehearse interview or exam specific topics and provide machine learning MSc / PhD. students, and those awaiting an interview a well-organized overview of the field. The problems it poses are tough enough to cut your teeth on and to dramatically improve your skills-but they're framed within thought-provoking questions and engaging stories. That is what makes the volume so specifically valuable to students and job seekers: it provides them with the ability to speak confidently and quickly on any relevant topic, to answer technical questions clearly and correctly, and to fully understand the purpose and meaning of interview questions and answers. Those are powerful, indispensable advantages to have when walking into the interview room. The book's contents is a large inventory of numerous topics relevant to DL job interviews and graduate level exams. That places this work at the forefront of the growing trend in science to teach a core set of practical mathematical and computational skills. It is widely accepted that the training of every computer scientist must include the fundamental theorems of ML, and AI appears in the curriculum of nearly every university. This volume is designed as an excellent reference for graduates of such programs.

  • 2 authors
·
Dec 30, 2021

An error indicator-based adaptive reduced order model for nonlinear structural mechanics -- application to high-pressure turbine blades

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

  • 2 authors
·
Apr 19, 2019

Population Based Training of Neural Networks

Neural networks dominate the modern machine learning landscape, but their training and success still suffer from sensitivity to empirical choices of hyperparameters such as model architecture, loss function, and optimisation algorithm. In this work we present Population Based Training (PBT), a simple asynchronous optimisation algorithm which effectively utilises a fixed computational budget to jointly optimise a population of models and their hyperparameters to maximise performance. Importantly, PBT discovers a schedule of hyperparameter settings rather than following the generally sub-optimal strategy of trying to find a single fixed set to use for the whole course of training. With just a small modification to a typical distributed hyperparameter training framework, our method allows robust and reliable training of models. We demonstrate the effectiveness of PBT on deep reinforcement learning problems, showing faster wall-clock convergence and higher final performance of agents by optimising over a suite of hyperparameters. In addition, we show the same method can be applied to supervised learning for machine translation, where PBT is used to maximise the BLEU score directly, and also to training of Generative Adversarial Networks to maximise the Inception score of generated images. In all cases PBT results in the automatic discovery of hyperparameter schedules and model selection which results in stable training and better final performance.

  • 12 authors
·
Nov 27, 2017

GRAG: Graph Retrieval-Augmented Generation

While Retrieval-Augmented Generation (RAG) enhances the accuracy and relevance of responses by generative language models, it falls short in graph-based contexts where both textual and topological information are important. Naive RAG approaches inherently neglect the structural intricacies of textual graphs, resulting in a critical gap in the generation process. To address this challenge, we introduce Graph Retrieval-Augmented Generation (GRAG), which significantly enhances both the retrieval and generation processes by emphasizing the importance of subgraph structures. Unlike RAG approaches that focus solely on text-based entity retrieval, GRAG maintains an acute awareness of graph topology, which is crucial for generating contextually and factually coherent responses. Our GRAG approach consists of four main stages: indexing of k-hop ego-graphs, graph retrieval, soft pruning to mitigate the impact of irrelevant entities, and generation with pruned textual subgraphs. GRAG's core workflow-retrieving textual subgraphs followed by soft pruning-efficiently identifies relevant subgraph structures while avoiding the computational infeasibility typical of exhaustive subgraph searches, which are NP-hard. Moreover, we propose a novel prompting strategy that achieves lossless conversion from textual subgraphs to hierarchical text descriptions. Extensive experiments on graph multi-hop reasoning benchmarks demonstrate that in scenarios requiring multi-hop reasoning on textual graphs, our GRAG approach significantly outperforms current state-of-the-art RAG methods while effectively mitigating hallucinations.

  • 6 authors
·
May 26, 2024

CAMERA: Multi-Matrix Joint Compression for MoE Models via Micro-Expert Redundancy Analysis

Large Language Models (LLMs) with Mixture-of-Experts (MoE) architectures are distinguished by their strong performance scaling with increasing parameters across a wide range of tasks, yet they also suffer from substantial computational and storage overheads. Notably, the performance gains of MoE models do not scale proportionally with the growth in expert parameters. While prior works attempt to reduce parameters via expert-level pruning, merging, or decomposition, they still suffer from challenges in both performance and computational efficiency. In this paper, we address these challenges by introducing micro-expert as a finer-grained compression unit that spans across matrices. We first establish a more fundamental perspective, viewing MoE layers as mixtures of micro-experts, and present CAMERA, a lightweight and training-free framework for identifying micro-expert redundancy. Our analysis uncovers significant variance in micro-expert contributions during decoding. Based on this insight, we further propose CAMERA-P, a structured micro-expert pruning framework, and CAMERA-Q, a mixed-precision quantization idea designed for micro-experts. Extensive experiments on nine downstream tasks show that CAMERA-P consistently outperforms strong baselines under pruning ratios ranging from 20% to 60%. Furthermore, CAMERA-Q achieves superior results under aggressive 2-bit quantization, surpassing existing matrix- and channel-level ideas. Notably, our method enables complete micro-expert analysis of Qwen2-57B-A14B in less than 5 minutes on a single NVIDIA A100-40GB GPU.

  • 8 authors
·
Aug 4

Radiation-magnetohydrodynamics with MPI-AMRVAC using flux-limited diffusion

Context. Radiation plays a significant role in solar and astrophysical environments as it may constitute a sizeable fraction of the energy density, momentum flux, and the total pressure. Modelling the dynamic interaction between radiation and magnetized plasmas in such environments is an intricate and computationally costly task. Aims. The goal of this work is to demonstrate the capabilities of the open-source parallel, block-adaptive computational framework MPI-AMRVAC, in solving equations of radiation-magnetohydrodynamics (RMHD), and to present benchmark test cases relevant for radiation-dominated magnetized plasmas. Methods. The existing magnetohydrodynamics (MHD) and flux-limited diffusion (FLD) radiative-hydrodynamics physics modules are combined to solve the equations of radiation-magnetohydrodynamics (RMHD) on block-adaptive finite volume Cartesian meshes in any dimensionality. Results. We introduce and validate several benchmark test cases such as steady radiative MHD shocks, radiation-damped linear MHD waves, radiation-modified Riemann problems and a multi-dimensional radiative magnetoconvection case. We recall the basic governing Rankine-Hugoniot relations for shocks and the dispersion relation for linear MHD waves in the presence of optically thick radiation fields where the diffusion limit is reached. The RMHD system allows for 8 linear wave types, where the classical 7-wave MHD picture (entropy and three wave pairs for slow, Alfven and fast) is augmented with a radiative diffusion mode. Conclusions. The MPI-AMRVAC code now has the capability to perform multidimensional RMHD simulations with mesh adaptation making it well-suited for larger scientific applications to study magnetized matter-radiation interactions in solar and stellar interiors and atmospheres.

  • 5 authors
·
Mar 4

RotateKV: Accurate and Robust 2-Bit KV Cache Quantization for LLMs via Outlier-Aware Adaptive Rotations

Key-Value (KV) cache facilitates efficient large language models (LLMs) inference by avoiding recomputation of past KVs. As the batch size and context length increase, the oversized KV caches become a significant memory bottleneck, highlighting the need for efficient compression. Existing KV quantization rely on fine-grained quantization or the retention of a significant portion of high bit-widths caches, both of which compromise compression ratio and often fail to maintain robustness at extremely low average bit-widths. In this work, we explore the potential of rotation technique for 2-bit KV quantization and propose RotateKV, which achieves accurate and robust performance through the following innovations: (i) Outlier-Aware Rotation, which utilizes channel-reordering to adapt the rotations to varying channel-wise outlier distributions without sacrificing the computational efficiency of the fast Walsh-Hadamard transform (FWHT); (ii) Pre-RoPE Grouped-Head Rotation, which mitigates the impact of rotary position embedding (RoPE) on proposed outlier-aware rotation and further smooths outliers across heads; (iii) Attention-Sink-Aware Quantization, which leverages the massive activations to precisely identify and protect attention sinks. RotateKV achieves less than 0.3 perplexity (PPL) degradation with 2-bit quantization on WikiText-2 using LLaMA-2-13B, maintains strong CoT reasoning and long-context capabilities, with less than 1.7\% degradation on GSM8K, outperforming existing methods even at lower average bit-widths. RotateKV also showcases a 3.97x reduction in peak memory usage, supports 5.75x larger batch sizes, and achieves a 2.32x speedup in decoding stage.

  • 7 authors
·
Jan 24

Coordinate Quantized Neural Implicit Representations for Multi-view Reconstruction

In recent years, huge progress has been made on learning neural implicit representations from multi-view images for 3D reconstruction. As an additional input complementing coordinates, using sinusoidal functions as positional encodings plays a key role in revealing high frequency details with coordinate-based neural networks. However, high frequency positional encodings make the optimization unstable, which results in noisy reconstructions and artifacts in empty space. To resolve this issue in a general sense, we introduce to learn neural implicit representations with quantized coordinates, which reduces the uncertainty and ambiguity in the field during optimization. Instead of continuous coordinates, we discretize continuous coordinates into discrete coordinates using nearest interpolation among quantized coordinates which are obtained by discretizing the field in an extremely high resolution. We use discrete coordinates and their positional encodings to learn implicit functions through volume rendering. This significantly reduces the variations in the sample space, and triggers more multi-view consistency constraints on intersections of rays from different views, which enables to infer implicit function in a more effective way. Our quantized coordinates do not bring any computational burden, and can seamlessly work upon the latest methods. Our evaluations under the widely used benchmarks show our superiority over the state-of-the-art. Our code is available at https://github.com/MachinePerceptionLab/CQ-NIR.

  • 3 authors
·
Aug 21, 2023

Exploiting Local Features and Range Images for Small Data Real-Time Point Cloud Semantic Segmentation

Semantic segmentation of point clouds is an essential task for understanding the environment in autonomous driving and robotics. Recent range-based works achieve real-time efficiency, while point- and voxel-based methods produce better results but are affected by high computational complexity. Moreover, highly complex deep learning models are often not suited to efficiently learn from small datasets. Their generalization capabilities can easily be driven by the abundance of data rather than the architecture design. In this paper, we harness the information from the three-dimensional representation to proficiently capture local features, while introducing the range image representation to incorporate additional information and facilitate fast computation. A GPU-based KDTree allows for rapid building, querying, and enhancing projection with straightforward operations. Extensive experiments on SemanticKITTI and nuScenes datasets demonstrate the benefits of our modification in a ``small data'' setup, in which only one sequence of the dataset is used to train the models, but also in the conventional setup, where all sequences except one are used for training. We show that a reduced version of our model not only demonstrates strong competitiveness against full-scale state-of-the-art models but also operates in real-time, making it a viable choice for real-world case applications. The code of our method is available at https://github.com/Bender97/WaffleAndRange.

  • 4 authors
·
Oct 14, 2024

Graph Density-Aware Losses for Novel Compositions in Scene Graph Generation

Scene graph generation (SGG) aims to predict graph-structured descriptions of input images, in the form of objects and relationships between them. This task is becoming increasingly useful for progress at the interface of vision and language. Here, it is important - yet challenging - to perform well on novel (zero-shot) or rare (few-shot) compositions of objects and relationships. In this paper, we identify two key issues that limit such generalization. Firstly, we show that the standard loss used in this task is unintentionally a function of scene graph density. This leads to the neglect of individual edges in large sparse graphs during training, even though these contain diverse few-shot examples that are important for generalization. Secondly, the frequency of relationships can create a strong bias in this task, such that a blind model predicting the most frequent relationship achieves good performance. Consequently, some state-of-the-art models exploit this bias to improve results. We show that such models can suffer the most in their ability to generalize to rare compositions, evaluating two different models on the Visual Genome dataset and its more recent, improved version, GQA. To address these issues, we introduce a density-normalized edge loss, which provides more than a two-fold improvement in certain generalization metrics. Compared to other works in this direction, our enhancements require only a few lines of code and no added computational cost. We also highlight the difficulty of accurately evaluating models using existing metrics, especially on zero/few shots, and introduce a novel weighted metric.

  • 6 authors
·
May 17, 2020

Generative Agents: Interactive Simulacra of Human Behavior

Believable proxies of human behavior can empower interactive applications ranging from immersive environments to rehearsal spaces for interpersonal communication to prototyping tools. In this paper, we introduce generative agents--computational software agents that simulate believable human behavior. Generative agents wake up, cook breakfast, and head to work; artists paint, while authors write; they form opinions, notice each other, and initiate conversations; they remember and reflect on days past as they plan the next day. To enable generative agents, we describe an architecture that extends a large language model to store a complete record of the agent's experiences using natural language, synthesize those memories over time into higher-level reflections, and retrieve them dynamically to plan behavior. We instantiate generative agents to populate an interactive sandbox environment inspired by The Sims, where end users can interact with a small town of twenty five agents using natural language. In an evaluation, these generative agents produce believable individual and emergent social behaviors: for example, starting with only a single user-specified notion that one agent wants to throw a Valentine's Day party, the agents autonomously spread invitations to the party over the next two days, make new acquaintances, ask each other out on dates to the party, and coordinate to show up for the party together at the right time. We demonstrate through ablation that the components of our agent architecture--observation, planning, and reflection--each contribute critically to the believability of agent behavior. By fusing large language models with computational, interactive agents, this work introduces architectural and interaction patterns for enabling believable simulations of human behavior.

  • 6 authors
·
Apr 6, 2023 3

Stepsize anything: A unified learning rate schedule for budgeted-iteration training

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter varphi that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between varphi and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of varphi.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA consistently surpasses the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

  • 5 authors
·
May 30 2

Efficient Long-Range Transformers: You Need to Attend More, but Not Necessarily at Every Layer

Pretrained transformer models have demonstrated remarkable performance across various natural language processing tasks. These models leverage the attention mechanism to capture long- and short-range dependencies in the sequence. However, the (full) attention mechanism incurs high computational cost - quadratic in the sequence length, which is not affordable in tasks with long sequences, e.g., inputs with 8k tokens. Although sparse attention can be used to improve computational efficiency, as suggested in existing work, it has limited modeling capacity and often fails to capture complicated dependencies in long sequences. To tackle this challenge, we propose MASFormer, an easy-to-implement transformer variant with Mixed Attention Spans. Specifically, MASFormer is equipped with full attention to capture long-range dependencies, but only at a small number of layers. For the remaining layers, MASformer only employs sparse attention to capture short-range dependencies. Our experiments on natural language modeling and generation tasks show that a decoder-only MASFormer model of 1.3B parameters can achieve competitive performance to vanilla transformers with full attention while significantly reducing computational cost (up to 75%). Additionally, we investigate the effectiveness of continual training with long sequence data and how sequence length impacts downstream generation performance, which may be of independent interest.

  • 5 authors
·
Oct 18, 2023 1

Unveiling the Secret Recipe: A Guide For Supervised Fine-Tuning Small LLMs

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

  • 13 authors
·
Dec 17, 2024

SkipDecode: Autoregressive Skip Decoding with Batching and Caching for Efficient LLM Inference

Autoregressive large language models (LLMs) have made remarkable progress in various natural language generation tasks. However, they incur high computation cost and latency resulting from the autoregressive token-by-token generation. To address this issue, several approaches have been proposed to reduce computational cost using early-exit strategies. These strategies enable faster text generation using reduced computation without applying the full computation graph to each token. While existing token-level early exit methods show promising results for online inference, they cannot be readily applied for batch inferencing and Key-Value caching. This is because they have to wait until the last token in a batch exits before they can stop computing. This severely limits the practical application of such techniques. In this paper, we propose a simple and effective token-level early exit method, SkipDecode, designed to work seamlessly with batch inferencing and KV caching. It overcomes prior constraints by setting up a singular exit point for every token in a batch at each sequence position. It also guarantees a monotonic decrease in exit points, thereby eliminating the need to recompute KV Caches for preceding tokens. Rather than terminating computation prematurely as in prior works, our approach bypasses lower to middle layers, devoting most of the computational resources to upper layers, allowing later tokens to benefit from the compute expenditure by earlier tokens. Our experimental results show that SkipDecode can obtain 2x to 5x inference speedups with negligible regression across a variety of tasks. This is achieved using OPT models of 1.3 billion and 6.7 billion parameters, all the while being directly compatible with batching and KV caching optimization techniques.

  • 6 authors
·
Jul 5, 2023

All for One: LLMs Solve Mental Math at the Last Token With Information Transferred From Other Tokens

Large language models (LLMs) demonstrate proficiency across numerous computational tasks, yet their inner workings remain unclear. In theory, the combination of causal self-attention and multilayer perceptron layers allows every token to access and compute information based on all preceding tokens. In practice, to what extent are such operations present? In this paper, on mental math tasks (i.e., direct math calculation via next-token prediction without explicit reasoning), we investigate this question in three steps: inhibiting input-specific token computations in the initial layers, restricting the routes of information transfer across token positions in the next few layers, and forcing all computation to happen at the last token in the remaining layers. With two proposed techniques, Context-Aware Mean Ablation (CAMA) and Attention-Based Peeking (ABP), we identify an All-for-One subgraph (AF1) with high accuracy on a wide variety of mental math tasks, where meaningful computation occurs very late (in terms of layer depth) and only at the last token, which receives information of other tokens in few specific middle layers. Experiments on a variety of models and arithmetic expressions show that this subgraph is sufficient and necessary for high model performance, transfers across different models, and works on a variety of input styles. Ablations on different CAMA and ABP alternatives reveal their unique advantages over other methods, which may be of independent interest.

  • 4 authors
·
Sep 11

GlucoLens: Explainable Postprandial Blood Glucose Prediction from Diet and Physical Activity

Postprandial hyperglycemia, marked by the blood glucose level exceeding the normal range after meals, is a critical indicator of progression toward type 2 diabetes in prediabetic and healthy individuals. A key metric for understanding blood glucose dynamics after eating is the postprandial area under the curve (PAUC). Predicting PAUC in advance based on a person's diet and activity level and explaining what affects postprandial blood glucose could allow an individual to adjust their lifestyle accordingly to maintain normal glucose levels. In this paper, we propose GlucoLens, an explainable machine learning approach to predict PAUC and hyperglycemia from diet, activity, and recent glucose patterns. We conducted a five-week user study with 10 full-time working individuals to develop and evaluate the computational model. Our machine learning model takes multimodal data including fasting glucose, recent glucose, recent activity, and macronutrient amounts, and provides an interpretable prediction of the postprandial glucose pattern. Our extensive analyses of the collected data revealed that the trained model achieves a normalized root mean squared error (NRMSE) of 0.123. On average, GlucoLense with a Random Forest backbone provides a 16% better result than the baseline models. Additionally, GlucoLens predicts hyperglycemia with an accuracy of 74% and recommends different options to help avoid hyperglycemia through diverse counterfactual explanations. Code available: https://github.com/ab9mamun/GlucoLens.

  • 7 authors
·
Mar 5

Benchmarking and Dissecting the Nvidia Hopper GPU Architecture

Graphics processing units (GPUs) are continually evolving to cater to the computational demands of contemporary general-purpose workloads, particularly those driven by artificial intelligence (AI) utilizing deep learning techniques. A substantial body of studies have been dedicated to dissecting the microarchitectural metrics characterizing diverse GPU generations, which helps researchers understand the hardware details and leverage them to optimize the GPU programs. However, the latest Hopper GPUs present a set of novel attributes, including new tensor cores supporting FP8, DPX, and distributed shared memory. Their details still remain mysterious in terms of performance and operational characteristics. In this research, we propose an extensive benchmarking study focused on the Hopper GPU. The objective is to unveil its microarchitectural intricacies through an examination of the new instruction-set architecture (ISA) of Nvidia GPUs and the utilization of new CUDA APIs. Our approach involves two main aspects. Firstly, we conduct conventional latency and throughput comparison benchmarks across the three most recent GPU architectures, namely Hopper, Ada, and Ampere. Secondly, we delve into a comprehensive discussion and benchmarking of the latest Hopper features, encompassing the Hopper DPX dynamic programming (DP) instruction set, distributed shared memory, and the availability of FP8 tensor cores. The microbenchmarking results we present offer a deeper understanding of the novel GPU AI function units and programming features introduced by the Hopper architecture. This newfound understanding is expected to greatly facilitate software optimization and modeling efforts for GPU architectures. To the best of our knowledge, this study makes the first attempt to demystify the tensor core performance and programming instruction sets unique to Hopper GPUs.

  • 6 authors
·
Feb 20, 2024

Breast Cancer Diagnosis Using Machine Learning Techniques

Breast cancer is one of the most threatening diseases in women's life; thus, the early and accurate diagnosis plays a key role in reducing the risk of death in a patient's life. Mammography stands as the reference technique for breast cancer screening; nevertheless, many countries still lack access to mammograms due to economic, social, and cultural issues. Latest advances in computational tools, infrared cameras and devices for bio-impedance quantification, have given a chance to emerge other reference techniques like thermography, infrared thermography, electrical impedance tomography and biomarkers found in blood tests, therefore being faster, reliable and cheaper than other methods. In the last two decades, the techniques mentioned above have been considered as parallel and extended approaches for breast cancer diagnosis, as well many authors concluded that false positives and false negatives rates are significantly reduced. Moreover, when a screening method works together with a computational technique, it generates a "computer-aided diagnosis" system. The present work aims to review the last breakthroughs about the three techniques mentioned earlier, suggested machine learning techniques to breast cancer diagnosis, thus, describing the benefits of some methods in relation with other ones, such as, logistic regression, decision trees, random forest, deep and convolutional neural networks. With this, we studied several hyperparameters optimization approaches with parzen tree optimizers to improve the performance of baseline models. An exploratory data analysis for each database and a benchmark of convolutional neural networks for the database of thermal images are presented. The benchmark process, reviews image classification techniques with convolutional neural networks, like, Resnet50, NasNetmobile, InceptionResnet and Xception.

  • 1 authors
·
May 3, 2023

DinoBloom: A Foundation Model for Generalizable Cell Embeddings in Hematology

In hematology, computational models offer significant potential to improve diagnostic accuracy, streamline workflows, and reduce the tedious work of analyzing single cells in peripheral blood or bone marrow smears. However, clinical adoption of computational models has been hampered by the lack of generalization due to large batch effects, small dataset sizes, and poor performance in transfer learning from natural images. To address these challenges, we introduce DinoBloom, the first foundation model for single cell images in hematology, utilizing a tailored DINOv2 pipeline. Our model is built upon an extensive collection of 13 diverse, publicly available datasets of peripheral blood and bone marrow smears, the most substantial open-source cohort in hematology so far, comprising over 380,000 white blood cell images. To assess its generalization capability, we evaluate it on an external dataset with a challenging domain shift. We show that our model outperforms existing medical and non-medical vision models in (i) linear probing and k-nearest neighbor evaluations for cell-type classification on blood and bone marrow smears and (ii) weakly supervised multiple instance learning for acute myeloid leukemia subtyping by a large margin. A family of four DinoBloom models (small, base, large, and giant) can be adapted for a wide range of downstream applications, be a strong baseline for classification problems, and facilitate the assessment of batch effects in new datasets. All models are available at github.com/marrlab/DinoBloom.

  • 8 authors
·
Apr 7, 2024

UMat: Uncertainty-Aware Single Image High Resolution Material Capture

We propose a learning-based method to recover normals, specularity, and roughness from a single diffuse image of a material, using microgeometry appearance as our primary cue. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. In contrast, in this work, we propose a novel capture approach that leverages a generative network with attention and a U-Net discriminator, which shows outstanding performance integrating global information at reduced computational complexity. We showcase the performance of our method with a real dataset of digitized textile materials and show that a commodity flatbed scanner can produce the type of diffuse illumination required as input to our method. Additionally, because the problem might be illposed -more than a single diffuse image might be needed to disambiguate the specular reflection- or because the training dataset is not representative enough of the real distribution, we propose a novel framework to quantify the model's confidence about its prediction at test time. Our method is the first one to deal with the problem of modeling uncertainty in material digitization, increasing the trustworthiness of the process and enabling more intelligent strategies for dataset creation, as we demonstrate with an active learning experiment.

  • 4 authors
·
May 25, 2023

PA-LLaVA: A Large Language-Vision Assistant for Human Pathology Image Understanding

The previous advancements in pathology image understanding primarily involved developing models tailored to specific tasks. Recent studies has demonstrated that the large vision-language model can enhance the performance of various downstream tasks in medical image understanding. In this study, we developed a domain-specific large language-vision assistant (PA-LLaVA) for pathology image understanding. Specifically, (1) we first construct a human pathology image-text dataset by cleaning the public medical image-text data for domain-specific alignment; (2) Using the proposed image-text data, we first train a pathology language-image pretraining (PLIP) model as the specialized visual encoder for pathology image, and then we developed scale-invariant connector to avoid the information loss caused by image scaling; (3) We adopt two-stage learning to train PA-LLaVA, first stage for domain alignment, and second stage for end to end visual question \& answering (VQA) task. In experiments, we evaluate our PA-LLaVA on both supervised and zero-shot VQA datasets, our model achieved the best overall performance among multimodal models of similar scale. The ablation experiments also confirmed the effectiveness of our design. We posit that our PA-LLaVA model and the datasets presented in this work can promote research in field of computational pathology. All codes are available at: https://github.com/ddw2AIGROUP2CQUPT/PA-LLaVA}{https://github.com/ddw2AIGROUP2CQUPT/PA-LLaVA

  • 7 authors
·
Aug 18, 2024

ChemCrow: Augmenting large-language models with chemistry tools

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

  • 4 authors
·
Apr 11, 2023

Tunable Convolutions with Parametric Multi-Loss Optimization

Behavior of neural networks is irremediably determined by the specific loss and data used during training. However it is often desirable to tune the model at inference time based on external factors such as preferences of the user or dynamic characteristics of the data. This is especially important to balance the perception-distortion trade-off of ill-posed image-to-image translation tasks. In this work, we propose to optimize a parametric tunable convolutional layer, which includes a number of different kernels, using a parametric multi-loss, which includes an equal number of objectives. Our key insight is to use a shared set of parameters to dynamically interpolate both the objectives and the kernels. During training, these parameters are sampled at random to explicitly optimize all possible combinations of objectives and consequently disentangle their effect into the corresponding kernels. During inference, these parameters become interactive inputs of the model hence enabling reliable and consistent control over the model behavior. Extensive experimental results demonstrate that our tunable convolutions effectively work as a drop-in replacement for traditional convolutions in existing neural networks at virtually no extra computational cost, outperforming state-of-the-art control strategies in a wide range of applications; including image denoising, deblurring, super-resolution, and style transfer.

  • 5 authors
·
Apr 3, 2023

TSRFormer: Table Structure Recognition with Transformers

We present a new table structure recognition (TSR) approach, called TSRFormer, to robustly recognizing the structures of complex tables with geometrical distortions from various table images. Unlike previous methods, we formulate table separation line prediction as a line regression problem instead of an image segmentation problem and propose a new two-stage DETR based separator prediction approach, dubbed Separator REgression TRansformer (SepRETR), to predict separation lines from table images directly. To make the two-stage DETR framework work efficiently and effectively for the separation line prediction task, we propose two improvements: 1) A prior-enhanced matching strategy to solve the slow convergence issue of DETR; 2) A new cross attention module to sample features from a high-resolution convolutional feature map directly so that high localization accuracy is achieved with low computational cost. After separation line prediction, a simple relation network based cell merging module is used to recover spanning cells. With these new techniques, our TSRFormer achieves state-of-the-art performance on several benchmark datasets, including SciTSR, PubTabNet and WTW. Furthermore, we have validated the robustness of our approach to tables with complex structures, borderless cells, large blank spaces, empty or spanning cells as well as distorted or even curved shapes on a more challenging real-world in-house dataset.

  • 7 authors
·
Aug 9, 2022

Benchmarking Neural Network Training Algorithms

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

  • 25 authors
·
Jun 12, 2023 1

AsyncFlow: An Asynchronous Streaming RL Framework for Efficient LLM Post-Training

Reinforcement learning (RL) has become a pivotal technology in the post-training phase of large language models (LLMs). Traditional task-colocated RL frameworks suffer from significant scalability bottlenecks, while task-separated RL frameworks face challenges in complex dataflows and the corresponding resource idling and workload imbalance. Moreover, most existing frameworks are tightly coupled with LLM training or inference engines, making it difficult to support custom-designed engines. To address these challenges, we propose AsyncFlow, an asynchronous streaming RL framework for efficient post-training. Specifically, we introduce a distributed data storage and transfer module that provides a unified data management and fine-grained scheduling capability in a fully streamed manner. This architecture inherently facilitates automated pipeline overlapping among RL tasks and dynamic load balancing. Moreover, we propose a producer-consumer-based asynchronous workflow engineered to minimize computational idleness by strategically deferring parameter update process within staleness thresholds. Finally, the core capability of AsynFlow is architecturally decoupled from underlying training and inference engines and encapsulated by service-oriented user interfaces, offering a modular and customizable user experience. Extensive experiments demonstrate an average of 1.59 throughput improvement compared with state-of-the-art baseline. The presented architecture in this work provides actionable insights for next-generation RL training system designs.

PS-GS: Gaussian Splatting for Multi-View Photometric Stereo

Integrating inverse rendering with multi-view photometric stereo (MVPS) yields more accurate 3D reconstructions than the inverse rendering approaches that rely on fixed environment illumination. However, efficient inverse rendering with MVPS remains challenging. To fill this gap, we introduce the Gaussian Splatting for Multi-view Photometric Stereo (PS-GS), which efficiently and jointly estimates the geometry, materials, and lighting of the object that is illuminated by diverse directional lights (multi-light). Our method first reconstructs a standard 2D Gaussian splatting model as the initial geometry. Based on the initialization model, it then proceeds with the deferred inverse rendering by the full rendering equation containing a lighting-computing multi-layer perceptron. During the whole optimization, we regularize the rendered normal maps by the uncalibrated photometric stereo estimated normals. We also propose the 2D Gaussian ray-tracing for single directional light to refine the incident lighting. The regularizations and the use of multi-view and multi-light images mitigate the ill-posed problem of inverse rendering. After optimization, the reconstructed object can be used for novel-view synthesis, relighting, and material and shape editing. Experiments on both synthetic and real datasets demonstrate that our method outperforms prior works in terms of reconstruction accuracy and computational efficiency.

  • 6 authors
·
Jul 24

EDiffSR: An Efficient Diffusion Probabilistic Model for Remote Sensing Image Super-Resolution

Recently, convolutional networks have achieved remarkable development in remote sensing image Super-Resoltuion (SR) by minimizing the regression objectives, e.g., MSE loss. However, despite achieving impressive performance, these methods often suffer from poor visual quality with over-smooth issues. Generative adversarial networks have the potential to infer intricate details, but they are easy to collapse, resulting in undesirable artifacts. To mitigate these issues, in this paper, we first introduce Diffusion Probabilistic Model (DPM) for efficient remote sensing image SR, dubbed EDiffSR. EDiffSR is easy to train and maintains the merits of DPM in generating perceptual-pleasant images. Specifically, different from previous works using heavy UNet for noise prediction, we develop an Efficient Activation Network (EANet) to achieve favorable noise prediction performance by simplified channel attention and simple gate operation, which dramatically reduces the computational budget. Moreover, to introduce more valuable prior knowledge into the proposed EDiffSR, a practical Conditional Prior Enhancement Module (CPEM) is developed to help extract an enriched condition. Unlike most DPM-based SR models that directly generate conditions by amplifying LR images, the proposed CPEM helps to retain more informative cues for accurate SR. Extensive experiments on four remote sensing datasets demonstrate that EDiffSR can restore visual-pleasant images on simulated and real-world remote sensing images, both quantitatively and qualitatively. The code of EDiffSR will be available at https://github.com/XY-boy/EDiffSR

  • 6 authors
·
Oct 30, 2023

ShinkaEvolve: Towards Open-Ended And Sample-Efficient Program Evolution

We introduce ShinkaEvolve: a new open-source framework leveraging large language models (LLMs) to advance scientific discovery with state-of-the-art performance and unprecedented efficiency. Recent advances in scaling inference time compute of LLMs have enabled significant progress in generalized scientific discovery. These approaches rely on evolutionary agentic harnesses that leverage LLMs as mutation operators to generate candidate solutions. However, current code evolution methods suffer from critical limitations: they are sample inefficient, requiring thousands of samples to identify effective solutions, and remain closed-source, hindering broad adoption and extension. ShinkaEvolve addresses these limitations, introducing three key innovations: a parent sampling technique balancing exploration and exploitation, code novelty rejection-sampling for efficient search space exploration, and a bandit-based LLM ensemble selection strategy. We evaluate ShinkaEvolve across diverse tasks, demonstrating consistent improvements in sample efficiency and solution quality. ShinkaEvolve discovers a new state-of-the-art circle packing solution using only 150 samples, designs high-performing agentic harnesses for AIME mathematical reasoning tasks, identifies improvements to ALE-Bench competitive programming solutions, and discovers novel mixture-of-expert load balancing loss functions that illuminate the space of optimization strategies. Our results demonstrate that ShinkaEvolve achieves broad applicability with exceptional sample efficiency. By providing open-source accessibility and cost-efficiency, this work democratizes open-ended discovery across diverse computational problems.

  • 3 authors
·
Sep 17

SymbolicAI: A framework for logic-based approaches combining generative models and solvers

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

  • 5 authors
·
Feb 1, 2024 5

M3: 3D-Spatial MultiModal Memory

We present 3D Spatial MultiModal Memory (M3), a multimodal memory system designed to retain information about medium-sized static scenes through video sources for visual perception. By integrating 3D Gaussian Splatting techniques with foundation models, M3 builds a multimodal memory capable of rendering feature representations across granularities, encompassing a wide range of knowledge. In our exploration, we identify two key challenges in previous works on feature splatting: (1) computational constraints in storing high-dimensional features for each Gaussian primitive, and (2) misalignment or information loss between distilled features and foundation model features. To address these challenges, we propose M3 with key components of principal scene components and Gaussian memory attention, enabling efficient training and inference. To validate M3, we conduct comprehensive quantitative evaluations of feature similarity and downstream tasks, as well as qualitative visualizations to highlight the pixel trace of Gaussian memory attention. Our approach encompasses a diverse range of foundation models, including vision-language models (VLMs), perception models, and large multimodal and language models (LMMs/LLMs). Furthermore, to demonstrate real-world applicability, we deploy M3's feature field in indoor scenes on a quadruped robot. Notably, we claim that M3 is the first work to address the core compression challenges in 3D feature distillation.

  • 7 authors
·
Mar 20 2

TFMQ-DM: Temporal Feature Maintenance Quantization for Diffusion Models

The Diffusion model, a prevalent framework for image generation, encounters significant challenges in terms of broad applicability due to its extended inference times and substantial memory requirements. Efficient Post-training Quantization (PTQ) is pivotal for addressing these issues in traditional models. Different from traditional models, diffusion models heavily depend on the time-step t to achieve satisfactory multi-round denoising. Usually, t from the finite set {1, ldots, T} is encoded to a temporal feature by a few modules totally irrespective of the sampling data. However, existing PTQ methods do not optimize these modules separately. They adopt inappropriate reconstruction targets and complex calibration methods, resulting in a severe disturbance of the temporal feature and denoising trajectory, as well as a low compression efficiency. To solve these, we propose a Temporal Feature Maintenance Quantization (TFMQ) framework building upon a Temporal Information Block which is just related to the time-step t and unrelated to the sampling data. Powered by the pioneering block design, we devise temporal information aware reconstruction (TIAR) and finite set calibration (FSC) to align the full-precision temporal features in a limited time. Equipped with the framework, we can maintain the most temporal information and ensure the end-to-end generation quality. Extensive experiments on various datasets and diffusion models prove our state-of-the-art results. Remarkably, our quantization approach, for the first time, achieves model performance nearly on par with the full-precision model under 4-bit weight quantization. Additionally, our method incurs almost no extra computational cost and accelerates quantization time by 2.0 times on LSUN-Bedrooms 256 times 256 compared to previous works.

  • 5 authors
·
Nov 27, 2023

DF-GAN: A Simple and Effective Baseline for Text-to-Image Synthesis

Synthesizing high-quality realistic images from text descriptions is a challenging task. Existing text-to-image Generative Adversarial Networks generally employ a stacked architecture as the backbone yet still remain three flaws. First, the stacked architecture introduces the entanglements between generators of different image scales. Second, existing studies prefer to apply and fix extra networks in adversarial learning for text-image semantic consistency, which limits the supervision capability of these networks. Third, the cross-modal attention-based text-image fusion that widely adopted by previous works is limited on several special image scales because of the computational cost. To these ends, we propose a simpler but more effective Deep Fusion Generative Adversarial Networks (DF-GAN). To be specific, we propose: (i) a novel one-stage text-to-image backbone that directly synthesizes high-resolution images without entanglements between different generators, (ii) a novel Target-Aware Discriminator composed of Matching-Aware Gradient Penalty and One-Way Output, which enhances the text-image semantic consistency without introducing extra networks, (iii) a novel deep text-image fusion block, which deepens the fusion process to make a full fusion between text and visual features. Compared with current state-of-the-art methods, our proposed DF-GAN is simpler but more efficient to synthesize realistic and text-matching images and achieves better performance on widely used datasets.

  • 6 authors
·
Aug 13, 2020

Towards a Physics Foundation Model

Foundation models have revolutionized natural language processing through a ``train once, deploy anywhere'' paradigm, where a single pre-trained model adapts to countless downstream tasks without retraining. Access to a Physics Foundation Model (PFM) would be transformative -- democratizing access to high-fidelity simulations, accelerating scientific discovery, and eliminating the need for specialized solver development. Yet current physics-aware machine learning approaches remain fundamentally limited to single, narrow domains and require retraining for each new system. We present the General Physics Transformer (GPhyT), trained on 1.8 TB of diverse simulation data, that demonstrates foundation model capabilities are achievable for physics. Our key insight is that transformers can learn to infer governing dynamics from context, enabling a single model to simulate fluid-solid interactions, shock waves, thermal convection, and multi-phase dynamics without being told the underlying equations. GPhyT achieves three critical breakthroughs: (1) superior performance across multiple physics domains, outperforming specialized architectures by up to 29x, (2) zero-shot generalization to entirely unseen physical systems through in-context learning, and (3) stable long-term predictions through 50-timestep rollouts. By establishing that a single model can learn generalizable physical principles from data alone, this work opens the path toward a universal PFM that could transform computational science and engineering.

  • 3 authors
·
Sep 17 2

RegexPSPACE: A Benchmark for Evaluating LLM Reasoning on PSPACE-complete Regex Problems

Large language models (LLMs) show strong performance across natural language processing (NLP), mathematical reasoning, and programming, and recent large reasoning models (LRMs) further emphasize explicit reasoning. Yet their computational limits, particularly spatial complexity constrained by finite context windows, remain poorly understood. While recent works often focus on problems within the NP complexity class, we push the boundary by introducing a novel benchmark grounded in two PSPACE-complete regular expression (regex) problems: equivalence decision (RegexEQ) and minimization (RegexMin). PSPACE-complete problems serve as a more rigorous standard for assessing computational capacity, as their solutions require massive search space exploration. We perform a double-exponential space exploration to construct a labeled dataset of over a million regex instances with a sound filtering process to build the benchmark. We conduct extensive evaluations on 6 LLMs and 5 LRMs of varying scales, revealing common failure patterns such as verbosity and repetition. With its well-defined structure and quantitative evaluation metrics, this work presents the first empirical investigation into the spatial computational limitations of LLMs and LRMs, offering a new framework for evaluating their advanced reasoning capabilities. Our code is available at https://github.com/hyundong98/RegexPSPACE .

  • 3 authors
·
Oct 10

Harnessing the Hubble Space Telescope Archives: A Catalogue of 21,926 Interacting Galaxies

Mergers play a complex role in galaxy formation and evolution. Continuing to improve our understanding of these systems require ever larger samples, which can be difficult (even impossible) to select from individual surveys. We use the new platform ESA Datalabs to assemble a catalogue of interacting galaxies from the Hubble Space Telescope science archives; this catalogue is larger than previously published catalogues by nearly an order of magnitude. In particular, we apply the Zoobot convolutional neural network directly to the entire public archive of HST F814W images and make probabilistic interaction predictions for 126 million sources from the Hubble Source Catalogue. We employ a combination of automated visual representation and visual analysis to identify a clean sample of 21,926 interacting galaxy systems, mostly with z < 1. Sixty five percent of these systems have no previous references in either the NASA Extragalactic Database or Simbad. In the process of removing contamination, we also discover many other objects of interest, such as gravitational lenses, edge-on protoplanetary disks, and `backlit' overlapping galaxies. We briefly investigate the basic properties of this sample, and we make our catalogue publicly available for use by the community. In addition to providing a new catalogue of scientifically interesting objects imaged by HST, this work also demonstrates the power of the ESA Datalabs tool to facilitate substantial archival analysis without placing a high computational or storage burden on the end user.

  • 16 authors
·
Mar 1, 2023

DRACO: Co-Optimizing Hardware Utilization, and Performance of DNNs on Systolic Accelerator

The number of processing elements (PEs) in a fixed-sized systolic accelerator is well matched for large and compute-bound DNNs; whereas, memory-bound DNNs suffer from PE underutilization and fail to achieve peak performance and energy efficiency. To mitigate this, specialized dataflow and/or micro-architectural techniques have been proposed. However, due to the longer development cycle and the rapid pace of evolution in the deep learning fields, these hardware-based solutions can be obsolete and ineffective in dealing with PE underutilization for state-of-the-art DNNs. In this work, we address the challenge of PE underutilization at the algorithm front and propose data reuse aware co-optimization (DRACO). This improves the PE utilization of memory-bound DNNs without any additional need for dataflow/micro-architecture modifications. Furthermore, unlike the previous co-optimization methods, DRACO not only maximizes performance and energy efficiency but also improves the predictive performance of DNNs. To the best of our knowledge, DRACO is the first work that resolves the resource underutilization challenge at the algorithm level and demonstrates a trade-off between computational efficiency, PE utilization, and predictive performance of DNN. Compared to the state-of-the-art row stationary dataflow, DRACO achieves 41.8% and 42.6% improvement in average PE utilization and inference latency (respectively) with negligible loss in predictive performance in MobileNetV1 on a 64times64 systolic array. DRACO provides seminal insights for utilization-aware DNN design methodologies that can fully leverage the computation power of systolic array-based hardware accelerators.

  • 6 authors
·
Jun 26, 2020

Soft Tokens, Hard Truths

The use of continuous instead of discrete tokens during the Chain-of-Thought (CoT) phase of reasoning LLMs has garnered attention recently, based on the intuition that a continuous mixture of discrete tokens could simulate a superposition of several reasoning paths simultaneously. Theoretical results have formally proven that continuous tokens have much greater expressivity and can solve specific problems more efficiently. However, practical use of continuous tokens has been limited by strong training difficulties: previous works either just use continuous tokens at inference time on a pre-trained discrete-token model, or must distill the continuous CoT from ground-truth discrete CoTs and face computational costs that limit the CoT to very few tokens. This is the first work introducing a scalable method to learn continuous CoTs via reinforcement learning (RL), without distilling from reference discrete CoTs. We use "soft" tokens: mixtures of tokens together with noise on the input embedding to provide RL exploration. Computational overhead is minimal, enabling us to learn continuous CoTs with hundreds of tokens. On math reasoning benchmarks with Llama and Qwen models up to 8B, training with continuous CoTs match discrete-token CoTs for pass@1 and surpass them for pass@32, showing greater CoT diversity. In systematic comparisons, the best-performing scenario is to train with continuous CoT tokens then use discrete tokens for inference, meaning the "soft" models can be deployed in a standard way. Finally, we show continuous CoT RL training better preserves the predictions of the base model on out-of-domain tasks, thus providing a softer touch to the base model.

  • 5 authors
·
Sep 23 2

An Efficient Rubric-based Generative Verifier for Search-Augmented LLMs

Search augmentation empowers Large Language Models with retrieval capabilities to overcome the limitations imposed by static parameters. Recently, Reinforcement Learning leverages tailored reward signals as a viable technique to enhance LLMs performing tasks involving search. However, existing reward modeling for search-augmented LLMs faces several limitations. Rule-based rewards, such as Exact Match, are verifiable but fragile to variations in expression and cannot be applied to long-form workloads. In contrast, generative rewards improve robustness, but designing verifiable and stable rewards for long-form workloads in dynamic corpora remains challenging and also incurs high computational costs. In this paper, we propose a unified and verifiable paradigm, "nugget-as-rubric", which treats atomic information points as structured evaluation criteria for different search-augmentation workloads. Short-form tasks correspond to a single rubric, whereas long-form tasks expand to multiple rubrics aligned with the question's information needs. To support long-form settings, we design an automatic rubric construction pipeline based on query rewriting, which can automatically retrieve passages relevant to each question and extract rubrics from them, both from static corpora and from dynamic online web content. Furthermore, we introduce Search-Gen-V, a 4B-parameter efficient generative verifier under our proposed verifiable paradigm, which is trained via the idea of distillation and a two-stage strategy. Experimental results show that Search-Gen-V achieves strong verification accuracy across different workloads, making it a scalable, robust, and efficient verifiable reward constructor for search-augmented LLMs.

  • 4 authors
·
Oct 16

Training-Free Multimodal Large Language Model Orchestration

Different Multimodal Large Language Models (MLLMs) cannot be integrated into a unified multimodal input-output system directly. In previous work, training has been considered as an inevitable component due to challenges in modal alignment, Text-to-Speech efficiency and other integration issues. In this paper, we introduce Multimodal Large Language Model Orchestration, an effective approach for creating interactive multimodal AI systems without additional training. MLLM Orchestration leverages the inherent reasoning capabilities of large language models to coordinate specialized models through explicit workflows, enabling natural multimodal interactions while maintaining modularity, improving interpretability, and significantly enhancing computational efficiency. Our orchestration framework is built upon three key innovations: (1) a central controller LLM that analyzes user inputs and dynamically routes tasks to appropriate specialized models through carefully designed agents; (2) a parallel Text-to-Speech architecture that enables true full-duplex interaction with seamless interruption handling and natural conversational flow; and (3) a cross-modal memory integration system that maintains coherent context across modalities through intelligent information synthesis and retrieval, selectively avoiding unnecessary modality calls in certain scenarios to improve response speed. Extensive evaluations demonstrate that MLLM Orchestration achieves comprehensive multimodal capabilities without additional training, performance improvements of up to 7.8% over traditional jointly-trained approaches on standard benchmarks, reduced latency by 10.3%, and significantly enhanced interpretability through explicit orchestration processes.

  • 5 authors
·
Aug 6

Dynamic Point Fields

Recent years have witnessed significant progress in the field of neural surface reconstruction. While the extensive focus was put on volumetric and implicit approaches, a number of works have shown that explicit graphics primitives such as point clouds can significantly reduce computational complexity, without sacrificing the reconstructed surface quality. However, less emphasis has been put on modeling dynamic surfaces with point primitives. In this work, we present a dynamic point field model that combines the representational benefits of explicit point-based graphics with implicit deformation networks to allow efficient modeling of non-rigid 3D surfaces. Using explicit surface primitives also allows us to easily incorporate well-established constraints such as-isometric-as-possible regularisation. While learning this deformation model is prone to local optima when trained in a fully unsupervised manner, we propose to additionally leverage semantic information such as keypoint dynamics to guide the deformation learning. We demonstrate our model with an example application of creating an expressive animatable human avatar from a collection of 3D scans. Here, previous methods mostly rely on variants of the linear blend skinning paradigm, which fundamentally limits the expressivity of such models when dealing with complex cloth appearances such as long skirts. We show the advantages of our dynamic point field framework in terms of its representational power, learning efficiency, and robustness to out-of-distribution novel poses.

  • 5 authors
·
Apr 5, 2023

Benchmarking for Public Health Surveillance tasks on Social Media with a Domain-Specific Pretrained Language Model

A user-generated text on social media enables health workers to keep track of information, identify possible outbreaks, forecast disease trends, monitor emergency cases, and ascertain disease awareness and response to official health correspondence. This exchange of health information on social media has been regarded as an attempt to enhance public health surveillance (PHS). Despite its potential, the technology is still in its early stages and is not ready for widespread application. Advancements in pretrained language models (PLMs) have facilitated the development of several domain-specific PLMs and a variety of downstream applications. However, there are no PLMs for social media tasks involving PHS. We present and release PHS-BERT, a transformer-based PLM, to identify tasks related to public health surveillance on social media. We compared and benchmarked the performance of PHS-BERT on 25 datasets from different social medial platforms related to 7 different PHS tasks. Compared with existing PLMs that are mainly evaluated on limited tasks, PHS-BERT achieved state-of-the-art performance on all 25 tested datasets, showing that our PLM is robust and generalizable in the common PHS tasks. By making PHS-BERT available, we aim to facilitate the community to reduce the computational cost and introduce new baselines for future works across various PHS-related tasks.

  • 5 authors
·
Apr 9, 2022

Review of Feed-forward 3D Reconstruction: From DUSt3R to VGGT

3D reconstruction, which aims to recover the dense three-dimensional structure of a scene, is a cornerstone technology for numerous applications, including augmented/virtual reality, autonomous driving, and robotics. While traditional pipelines like Structure from Motion (SfM) and Multi-View Stereo (MVS) achieve high precision through iterative optimization, they are limited by complex workflows, high computational cost, and poor robustness in challenging scenarios like texture-less regions. Recently, deep learning has catalyzed a paradigm shift in 3D reconstruction. A new family of models, exemplified by DUSt3R, has pioneered a feed-forward approach. These models employ a unified deep network to jointly infer camera poses and dense geometry directly from an Unconstrained set of images in a single forward pass. This survey provides a systematic review of this emerging domain. We begin by dissecting the technical framework of these feed-forward models, including their Transformer-based correspondence modeling, joint pose and geometry regression mechanisms, and strategies for scaling from two-view to multi-view scenarios. To highlight the disruptive nature of this new paradigm, we contrast it with both traditional pipelines and earlier learning-based methods like MVSNet. Furthermore, we provide an overview of relevant datasets and evaluation metrics. Finally, we discuss the technology's broad application prospects and identify key future challenges and opportunities, such as model accuracy and scalability, and handling dynamic scenes.

  • 7 authors
·
Jul 11

JailDAM: Jailbreak Detection with Adaptive Memory for Vision-Language Model

Multimodal large language models (MLLMs) excel in vision-language tasks but also pose significant risks of generating harmful content, particularly through jailbreak attacks. Jailbreak attacks refer to intentional manipulations that bypass safety mechanisms in models, leading to the generation of inappropriate or unsafe content. Detecting such attacks is critical to ensuring the responsible deployment of MLLMs. Existing jailbreak detection methods face three primary challenges: (1) Many rely on model hidden states or gradients, limiting their applicability to white-box models, where the internal workings of the model are accessible; (2) They involve high computational overhead from uncertainty-based analysis, which limits real-time detection, and (3) They require fully labeled harmful datasets, which are often scarce in real-world settings. To address these issues, we introduce a test-time adaptive framework called JAILDAM. Our method leverages a memory-based approach guided by policy-driven unsafe knowledge representations, eliminating the need for explicit exposure to harmful data. By dynamically updating unsafe knowledge during test-time, our framework improves generalization to unseen jailbreak strategies while maintaining efficiency. Experiments on multiple VLM jailbreak benchmarks demonstrate that JAILDAM delivers state-of-the-art performance in harmful content detection, improving both accuracy and speed.

  • 7 authors
·
Apr 3 2

What Algorithms can Transformers Learn? A Study in Length Generalization

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true algorithm for solving a task. We study the scope of Transformers' abilities in the specific setting of length generalization on algorithmic tasks. Here, we propose a unifying framework to understand when and how Transformers can exhibit strong length generalization on a given task. Specifically, we leverage RASP (Weiss et al., 2021) -- a programming language designed for the computational model of a Transformer -- and introduce the RASP-Generalization Conjecture: Transformers tend to length generalize on a task if the task can be solved by a short RASP program which works for all input lengths. This simple conjecture remarkably captures most known instances of length generalization on algorithmic tasks. Moreover, we leverage our insights to drastically improve generalization performance on traditionally hard tasks (such as parity and addition). On the theoretical side, we give a simple example where the "min-degree-interpolator" model of learning from Abbe et al. (2023) does not correctly predict Transformers' out-of-distribution behavior, but our conjecture does. Overall, our work provides a novel perspective on the mechanisms of compositional generalization and the algorithmic capabilities of Transformers.

  • 8 authors
·
Oct 24, 2023

Adaptive Deep Learning for Efficient Visual Pose Estimation aboard Ultra-low-power Nano-drones

Sub-10cm diameter nano-drones are gaining momentum thanks to their applicability in scenarios prevented to bigger flying drones, such as in narrow environments and close to humans. However, their tiny form factor also brings their major drawback: ultra-constrained memory and processors for the onboard execution of their perception pipelines. Therefore, lightweight deep learning-based approaches are becoming increasingly popular, stressing how computational efficiency and energy-saving are paramount as they can make the difference between a fully working closed-loop system and a failing one. In this work, to maximize the exploitation of the ultra-limited resources aboard nano-drones, we present a novel adaptive deep learning-based mechanism for the efficient execution of a vision-based human pose estimation task. We leverage two State-of-the-Art (SoA) convolutional neural networks (CNNs) with different regression performance vs. computational costs trade-offs. By combining these CNNs with three novel adaptation strategies based on the output's temporal consistency and on auxiliary tasks to swap the CNN being executed proactively, we present six different systems. On a real-world dataset and the actual nano-drone hardware, our best-performing system, compared to executing only the bigger and most accurate SoA model, shows 28% latency reduction while keeping the same mean absolute error (MAE), 3% MAE reduction while being iso-latency, and the absolute peak performance, i.e., 6% better than SoA model.

  • 7 authors
·
Jan 26, 2024

Survey of Vulnerabilities in Large Language Models Revealed by Adversarial Attacks

Large Language Models (LLMs) are swiftly advancing in architecture and capability, and as they integrate more deeply into complex systems, the urgency to scrutinize their security properties grows. This paper surveys research in the emerging interdisciplinary field of adversarial attacks on LLMs, a subfield of trustworthy ML, combining the perspectives of Natural Language Processing and Security. Prior work has shown that even safety-aligned LLMs (via instruction tuning and reinforcement learning through human feedback) can be susceptible to adversarial attacks, which exploit weaknesses and mislead AI systems, as evidenced by the prevalence of `jailbreak' attacks on models like ChatGPT and Bard. In this survey, we first provide an overview of large language models, describe their safety alignment, and categorize existing research based on various learning structures: textual-only attacks, multi-modal attacks, and additional attack methods specifically targeting complex systems, such as federated learning or multi-agent systems. We also offer comprehensive remarks on works that focus on the fundamental sources of vulnerabilities and potential defenses. To make this field more accessible to newcomers, we present a systematic review of existing works, a structured typology of adversarial attack concepts, and additional resources, including slides for presentations on related topics at the 62nd Annual Meeting of the Association for Computational Linguistics (ACL'24).

  • 6 authors
·
Oct 16, 2023

Tryage: Real-time, intelligent Routing of User Prompts to Large Language Models

The introduction of the transformer architecture and the self-attention mechanism has led to an explosive production of language models trained on specific downstream tasks and data domains. With over 200, 000 models in the Hugging Face ecosystem, users grapple with selecting and optimizing models to suit multifaceted workflows and data domains while addressing computational, security, and recency concerns. There is an urgent need for machine learning frameworks that can eliminate the burden of model selection and customization and unleash the incredible power of the vast emerging model library for end users. Here, we propose a context-aware routing system, Tryage, that leverages a language model router for optimal selection of expert models from a model library based on analysis of individual input prompts. Inspired by the thalamic router in the brain, Tryage employs a perceptive router to predict down-stream model performance on prompts and, then, makes a routing decision using an objective function that integrates performance predictions with user goals and constraints that are incorporated through flags (e.g., model size, model recency). Tryage allows users to explore a Pareto front and automatically trade-off between task accuracy and secondary goals including minimization of model size, recency, security, verbosity, and readability. Across heterogeneous data sets that include code, text, clinical data, and patents, the Tryage framework surpasses Gorilla and GPT3.5 turbo in dynamic model selection identifying the optimal model with an accuracy of 50.9% , compared to 23.6% by GPT 3.5 Turbo and 10.8% by Gorilla. Conceptually, Tryage demonstrates how routing models can be applied to program and control the behavior of multi-model LLM systems to maximize efficient use of the expanding and evolving language model ecosystem.

  • 2 authors
·
Aug 22, 2023

Visual Dependency Transformers: Dependency Tree Emerges from Reversed Attention

Humans possess a versatile mechanism for extracting structured representations of our visual world. When looking at an image, we can decompose the scene into entities and their parts as well as obtain the dependencies between them. To mimic such capability, we propose Visual Dependency Transformers (DependencyViT) that can induce visual dependencies without any labels. We achieve that with a novel neural operator called reversed attention that can naturally capture long-range visual dependencies between image patches. Specifically, we formulate it as a dependency graph where a child token in reversed attention is trained to attend to its parent tokens and send information following a normalized probability distribution rather than gathering information in conventional self-attention. With such a design, hierarchies naturally emerge from reversed attention layers, and a dependency tree is progressively induced from leaf nodes to the root node unsupervisedly. DependencyViT offers several appealing benefits. (i) Entities and their parts in an image are represented by different subtrees, enabling part partitioning from dependencies; (ii) Dynamic visual pooling is made possible. The leaf nodes which rarely send messages can be pruned without hindering the model performance, based on which we propose the lightweight DependencyViT-Lite to reduce the computational and memory footprints; (iii) DependencyViT works well on both self- and weakly-supervised pretraining paradigms on ImageNet, and demonstrates its effectiveness on 8 datasets and 5 tasks, such as unsupervised part and saliency segmentation, recognition, and detection.

  • 8 authors
·
Apr 6, 2023

Robust Collaborative Learning with Linear Gradient Overhead

Collaborative learning algorithms, such as distributed SGD (or D-SGD), are prone to faulty machines that may deviate from their prescribed algorithm because of software or hardware bugs, poisoned data or malicious behaviors. While many solutions have been proposed to enhance the robustness of D-SGD to such machines, previous works either resort to strong assumptions (trusted server, homogeneous data, specific noise model) or impose a gradient computational cost that is several orders of magnitude higher than that of D-SGD. We present MoNNA, a new algorithm that (a) is provably robust under standard assumptions and (b) has a gradient computation overhead that is linear in the fraction of faulty machines, which is conjectured to be tight. Essentially, MoNNA uses Polyak's momentum of local gradients for local updates and nearest-neighbor averaging (NNA) for global mixing, respectively. While MoNNA is rather simple to implement, its analysis has been more challenging and relies on two key elements that may be of independent interest. Specifically, we introduce the mixing criterion of (alpha, lambda)-reduction to analyze the non-linear mixing of non-faulty machines, and present a way to control the tension between the momentum and the model drifts. We validate our theory by experiments on image classification and make our code available at https://github.com/LPD-EPFL/robust-collaborative-learning.

  • 6 authors
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Sep 22, 2022

FAtiMA Toolkit -- Toward an effective and accessible tool for the development of intelligent virtual agents and social robots

More than a decade has passed since the development of FearNot!, an application designed to help children deal with bullying through role-playing with virtual characters. It was also the application that led to the creation of FAtiMA, an affective agent architecture for creating autonomous characters that can evoke empathic responses. In this paper, we describe FAtiMA Toolkit, a collection of open-source tools that is designed to help researchers, game developers and roboticists incorporate a computational model of emotion and decision-making in their work. The toolkit was developed with the goal of making FAtiMA more accessible, easier to incorporate into different projects and more flexible in its capabilities for human-agent interaction, based upon the experience gathered over the years across different virtual environments and human-robot interaction scenarios. As a result, this work makes several different contributions to the field of Agent-Based Architectures. More precisely, FAtiMA Toolkit's library based design allows developers to easily integrate it with other frameworks, its meta-cognitive model affords different internal reasoners and affective components and its explicit dialogue structure gives control to the author even within highly complex scenarios. To demonstrate the use of FAtiMA Toolkit, several different use cases where the toolkit was successfully applied are described and discussed.

  • 6 authors
·
Mar 4, 2021

Select2Drive: Pragmatic Communications for Real-Time Collaborative Autonomous Driving

Vehicle-to-Everything communications-assisted Autonomous Driving (V2X-AD) has witnessed remarkable advancements in recent years, with pragmatic communications (PragComm) emerging as a promising paradigm for real-time collaboration among vehicles and other agents.Simultaneously, extensive research has explored the interplay between collaborative perception and decision-making in end-to-end driving frameworks.In this work, we revisit the collaborative driving problem and propose the Select2Drive framework to optimize the utilization of limited computational and communication resources.Particularly, to mitigate cumulative latency in perception and decision-making, Select2Drive introduces Distributed Predictive Perception (DPP) by formulating an active prediction paradigm and simplifies high-dimensional semantic feature prediction into computation cost-efficient, motion-aware reconstruction. Given the "less is more" principle that a broadened perceptual horizon possibly confuses the decision module rather than contributing to it, Select2Drive utilizes Area-of-Importance-based PragComm (APC) to prioritize the communications of critical regions, thus boosting both communication efficiency and decision-making efficacy. Empirical evaluations on the V2Xverse dataset and CARLA driving simulator demonstrate that Select2Drive achieves a 11.31% (resp. 7.69%) improvement in offline perception tasks under limited bandwidth (resp. pose error conditions). Moreover, it delivers at most 14.68% and 31.76% enhancement in closed-loop driving scores and route completion rates, particularly in scenarios characterized by dense traffic and high-speed dynamics.

  • 5 authors
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Jan 21

Working with AI: Measuring the Occupational Implications of Generative AI

Given the rapid adoption of generative AI and its potential to impact a wide range of tasks, understanding the effects of AI on the economy is one of society's most important questions. In this work, we take a step toward that goal by analyzing the work activities people do with AI, how successfully and broadly those activities are done, and combine that with data on what occupations do those activities. We analyze a dataset of 200k anonymized and privacy-scrubbed conversations between users and Microsoft Bing Copilot, a publicly available generative AI system. We find the most common work activities people seek AI assistance for involve gathering information and writing, while the most common activities that AI itself is performing are providing information and assistance, writing, teaching, and advising. Combining these activity classifications with measurements of task success and scope of impact, we compute an AI applicability score for each occupation. We find the highest AI applicability scores for knowledge work occupation groups such as computer and mathematical, and office and administrative support, as well as occupations such as sales whose work activities involve providing and communicating information. Additionally, we characterize the types of work activities performed most successfully, how wage and education correlate with AI applicability, and how real-world usage compares to predictions of occupational AI impact.

  • 5 authors
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Jul 10

ScienceBoard: Evaluating Multimodal Autonomous Agents in Realistic Scientific Workflows

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

  • 21 authors
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May 26 3

ResearchGPT: Benchmarking and Training LLMs for End-to-End Computer Science Research Workflows

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

  • 15 authors
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Oct 23

PC Agent: While You Sleep, AI Works -- A Cognitive Journey into Digital World

Imagine a world where AI can handle your work while you sleep - organizing your research materials, drafting a report, or creating a presentation you need for tomorrow. However, while current digital agents can perform simple tasks, they are far from capable of handling the complex real-world work that humans routinely perform. We present PC Agent, an AI system that demonstrates a crucial step toward this vision through human cognition transfer. Our key insight is that the path from executing simple "tasks" to handling complex "work" lies in efficiently capturing and learning from human cognitive processes during computer use. To validate this hypothesis, we introduce three key innovations: (1) PC Tracker, a lightweight infrastructure that efficiently collects high-quality human-computer interaction trajectories with complete cognitive context; (2) a two-stage cognition completion pipeline that transforms raw interaction data into rich cognitive trajectories by completing action semantics and thought processes; and (3) a multi-agent system combining a planning agent for decision-making with a grounding agent for robust visual grounding. Our preliminary experiments in PowerPoint presentation creation reveal that complex digital work capabilities can be achieved with a small amount of high-quality cognitive data - PC Agent, trained on just 133 cognitive trajectories, can handle sophisticated work scenarios involving up to 50 steps across multiple applications. This demonstrates the data efficiency of our approach, highlighting that the key to training capable digital agents lies in collecting human cognitive data. By open-sourcing our complete framework, including the data collection infrastructure and cognition completion methods, we aim to lower the barriers for the research community to develop truly capable digital agents.

  • 8 authors
·
Dec 23, 2024 2

Comparing Software Developers with ChatGPT: An Empirical Investigation

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

  • 3 authors
·
May 19, 2023

MMTU: A Massive Multi-Task Table Understanding and Reasoning Benchmark

Tables and table-based use cases play a crucial role in many important real-world applications, such as spreadsheets, databases, and computational notebooks, which traditionally require expert-level users like data engineers, data analysts, and database administrators to operate. Although LLMs have shown remarkable progress in working with tables (e.g., in spreadsheet and database copilot scenarios), comprehensive benchmarking of such capabilities remains limited. In contrast to an extensive and growing list of NLP benchmarks, evaluations of table-related tasks are scarce, and narrowly focus on tasks like NL-to-SQL and Table-QA, overlooking the broader spectrum of real-world tasks that professional users face. This gap limits our understanding and model progress in this important area. In this work, we introduce MMTU, a large-scale benchmark with over 30K questions across 25 real-world table tasks, designed to comprehensively evaluate models ability to understand, reason, and manipulate real tables at the expert-level. These tasks are drawn from decades' worth of computer science research on tabular data, with a focus on complex table tasks faced by professional users. We show that MMTU require a combination of skills -- including table understanding, reasoning, and coding -- that remain challenging for today's frontier models, where even frontier reasoning models like OpenAI o4-mini and DeepSeek R1 score only around 60%, suggesting significant room for improvement. We highlight key findings in our evaluation using MMTU and hope that this benchmark drives further advances in understanding and developing foundation models for structured data processing and analysis. Our code and data are available at https://github.com/MMTU-Benchmark/MMTU and https://huggingface.co/datasets/MMTU-benchmark/MMTU.

  • 9 authors
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Jun 5

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

  • 6 authors
·
Aug 12, 2024 10

AI4Research: A Survey of Artificial Intelligence for Scientific Research

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

  • 16 authors
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Jul 2

Comparing Human and LLM Generated Code: The Jury is Still Out!

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

  • 5 authors
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Jan 28

TheAgentCompany: Benchmarking LLM Agents on Consequential Real World Tasks

We interact with computers on an everyday basis, be it in everyday life or work, and many aspects of work can be done entirely with access to a computer and the Internet. At the same time, thanks to improvements in large language models (LLMs), there has also been a rapid development in AI agents that interact with and affect change in their surrounding environments. But how performant are AI agents at helping to accelerate or even autonomously perform work-related tasks? The answer to this question has important implications for both industry looking to adopt AI into their workflows, and for economic policy to understand the effects that adoption of AI may have on the labor market. To measure the progress of these LLM agents' performance on performing real-world professional tasks, in this paper, we introduce TheAgentCompany, an extensible benchmark for evaluating AI agents that interact with the world in similar ways to those of a digital worker: by browsing the Web, writing code, running programs, and communicating with other coworkers. We build a self-contained environment with internal web sites and data that mimics a small software company environment, and create a variety of tasks that may be performed by workers in such a company. We test baseline agents powered by both closed API-based and open-weights language models (LMs), and find that with the most competitive agent, 24% of the tasks can be completed autonomously. This paints a nuanced picture on task automation with LM agents -- in a setting simulating a real workplace, a good portion of simpler tasks could be solved autonomously, but more difficult long-horizon tasks are still beyond the reach of current systems.

  • 21 authors
·
Dec 18, 2024 2

Revisiting Citizen Science Through the Lens of Hybrid Intelligence

Artificial Intelligence (AI) can augment and sometimes even replace human cognition. Inspired by efforts to value human agency alongside productivity, we discuss the benefits of solving Citizen Science (CS) tasks with Hybrid Intelligence (HI), a synergetic mixture of human and artificial intelligence. Currently there is no clear framework or methodology on how to create such an effective mixture. Due to the unique participant-centered set of values and the abundance of tasks drawing upon both human common sense and complex 21st century skills, we believe that the field of CS offers an invaluable testbed for the development of HI and human-centered AI of the 21st century, while benefiting CS as well. In order to investigate this potential, we first relate CS to adjacent computational disciplines. Then, we demonstrate that CS projects can be grouped according to their potential for HI-enhancement by examining two key dimensions: the level of digitization and the amount of knowledge or experience required for participation. Finally, we propose a framework for types of human-AI interaction in CS based on established criteria of HI. This "HI lens" provides the CS community with an overview of several ways to utilize the combination of AI and human intelligence in their projects. It also allows the AI community to gain ideas on how developing AI in CS projects can further their own field.

  • 16 authors
·
Apr 30, 2021

CSR-Bench: Benchmarking LLM Agents in Deployment of Computer Science Research Repositories

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

  • 5 authors
·
Feb 9

SURGE: On the Potential of Large Language Models as General-Purpose Surrogate Code Executors

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

  • 3 authors
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Feb 16 2

MASSW: A New Dataset and Benchmark Tasks for AI-Assisted Scientific Workflows

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

  • 11 authors
·
Jun 10, 2024

When to Show a Suggestion? Integrating Human Feedback in AI-Assisted Programming

AI powered code-recommendation systems, such as Copilot and CodeWhisperer, provide code suggestions inside a programmer's environment (e.g., an IDE) with the aim of improving productivity. We pursue mechanisms for leveraging signals about programmers' acceptance and rejection of code suggestions to guide recommendations. We harness data drawn from interactions with GitHub Copilot, a system used by millions of programmers, to develop interventions that can save time for programmers. We introduce a utility-theoretic framework to drive decisions about suggestions to display versus withhold. The approach, conditional suggestion display from human feedback (CDHF), relies on a cascade of models that provide the likelihood that recommended code will be accepted. These likelihoods are used to selectively hide suggestions, reducing both latency and programmer verification time. Using data from 535 programmers, we perform a retrospective evaluation of CDHF and show that we can avoid displaying a significant fraction of suggestions that would have been rejected. We further demonstrate the importance of incorporating the programmer's latent unobserved state in decisions about when to display suggestions through an ablation study. Finally, we showcase how using suggestion acceptance as a reward signal for guiding the display of suggestions can lead to suggestions of reduced quality, indicating an unexpected pitfall.

  • 4 authors
·
Jun 8, 2023

OmniACT: A Dataset and Benchmark for Enabling Multimodal Generalist Autonomous Agents for Desktop and Web

For decades, human-computer interaction has fundamentally been manual. Even today, almost all productive work done on the computer necessitates human input at every step. Autonomous virtual agents represent an exciting step in automating many of these menial tasks. Virtual agents would empower users with limited technical proficiency to harness the full possibilities of computer systems. They could also enable the efficient streamlining of numerous computer tasks, ranging from calendar management to complex travel bookings, with minimal human intervention. In this paper, we introduce OmniACT, the first-of-a-kind dataset and benchmark for assessing an agent's capability to generate executable programs to accomplish computer tasks. Our scope extends beyond traditional web automation, covering a diverse range of desktop applications. The dataset consists of fundamental tasks such as "Play the next song", as well as longer horizon tasks such as "Send an email to John Doe mentioning the time and place to meet". Specifically, given a pair of screen image and a visually-grounded natural language task, the goal is to generate a script capable of fully executing the task. We run several strong baseline language model agents on our benchmark. The strongest baseline, GPT-4, performs the best on our benchmark However, its performance level still reaches only 15% of the human proficiency in generating executable scripts capable of completing the task, demonstrating the challenge of our task for conventional web agents. Our benchmark provides a platform to measure and evaluate the progress of language model agents in automating computer tasks and motivates future work towards building multimodal models that bridge large language models and the visual grounding of computer screens.

  • 7 authors
·
Feb 27, 2024 6

FML-bench: A Benchmark for Automatic ML Research Agents Highlighting the Importance of Exploration Breadth

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

MeSH Suggester: A Library and System for MeSH Term Suggestion for Systematic Review Boolean Query Construction

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

  • 3 authors
·
Dec 18, 2022

Algorithm-assisted discovery of an intrinsic order among mathematical constants

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

  • 9 authors
·
Aug 22, 2023

Competition-Level Code Generation with AlphaCode

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

  • 26 authors
·
Feb 8, 2022

The Avengers: A Simple Recipe for Uniting Smaller Language Models to Challenge Proprietary Giants

As proprietary giants increasingly dominate the race for ever-larger language models, a pressing question arises for the open-source community: can smaller models remain competitive across a broad range of tasks? In this paper, we present the Avengers--a simple recipe that effectively leverages the collective intelligence of open-source, smaller language models. Our framework is built upon four lightweight operations: (i) embedding: encode queries using a text embedding model; (ii) clustering: group queries based on their semantic similarity; (iii) scoring: scores each model's performance within each cluster; and (iv) voting: improve outputs via repeated sampling and voting. At inference time, each query is embedded and assigned to its nearest cluster. The top-performing model(s) within that cluster are selected to generate the response using the Self-Consistency or its multi-model variant. Remarkably, with 10 open-source models (~7B parameters each), the Avengers collectively outperforms GPT-4.1 on 10 out of 15 datasets (spanning mathematics, code, logic, knowledge, and affective tasks). In particular, it surpasses GPT-4.1 on mathematics tasks by 18.21% and on code tasks by 7.46%. Furthermore, the Avengers delivers superior out-of-distribution generalization, and remains robust across various embedding models, clustering algorithms, ensemble strategies, and values of its sole parameter--the number of clusters. We have open-sourced the code on GitHub: https://github.com/ZhangYiqun018/Avengers

  • 14 authors
·
May 26

Program Synthesis with Large Language Models

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

  • 11 authors
·
Aug 15, 2021

SciReplicate-Bench: Benchmarking LLMs in Agent-driven Algorithmic Reproduction from Research Papers

This study evaluates large language models (LLMs) in generating code from algorithm descriptions from recent NLP papers. The task requires two key competencies: (1) algorithm comprehension: synthesizing information from papers and academic literature to understand implementation logic, and (2) coding expertise: identifying dependencies and correctly implementing necessary APIs. To facilitate rigorous evaluation, we introduce SciReplicate-Bench, a benchmark of 100 tasks from 36 NLP papers published in 2024, featuring detailed annotations and comprehensive test cases. Building on SciReplicate-Bench, we propose Sci-Reproducer, a multi-agent framework consisting of a Paper Agent that interprets algorithmic concepts from literature and a Code Agent that retrieves dependencies from repositories and implement solutions. To assess algorithm understanding, we introduce reasoning graph accuracy, which quantifies similarity between generated and reference reasoning graphs derived from code comments and structure. For evaluating implementation quality, we employ execution accuracy, CodeBLEU, and repository dependency/API recall metrics. In our experiments, we evaluate various powerful Non-Reasoning LLMs and Reasoning LLMs as foundational models. The best-performing LLM using Sci-Reproducer achieves only 39% execution accuracy, highlighting the benchmark's difficulty.Our analysis identifies missing or inconsistent algorithm descriptions as key barriers to successful reproduction. We will open-source our benchmark, and code at https://github.com/xyzCS/SciReplicate-Bench.

  • 5 authors
·
Mar 31

Agent S2: A Compositional Generalist-Specialist Framework for Computer Use Agents

Computer use agents automate digital tasks by directly interacting with graphical user interfaces (GUIs) on computers and mobile devices, offering significant potential to enhance human productivity by completing an open-ended space of user queries. However, current agents face significant challenges: imprecise grounding of GUI elements, difficulties with long-horizon task planning, and performance bottlenecks from relying on single generalist models for diverse cognitive tasks. To this end, we introduce Agent S2, a novel compositional framework that delegates cognitive responsibilities across various generalist and specialist models. We propose a novel Mixture-of-Grounding technique to achieve precise GUI localization and introduce Proactive Hierarchical Planning, dynamically refining action plans at multiple temporal scales in response to evolving observations. Evaluations demonstrate that Agent S2 establishes new state-of-the-art (SOTA) performance on three prominent computer use benchmarks. Specifically, Agent S2 achieves 18.9% and 32.7% relative improvements over leading baseline agents such as Claude Computer Use and UI-TARS on the OSWorld 15-step and 50-step evaluation. Moreover, Agent S2 generalizes effectively to other operating systems and applications, surpassing previous best methods by 52.8% on WindowsAgentArena and by 16.52% on AndroidWorld relatively. Code available at https://github.com/simular-ai/Agent-S.

simular-ai Simular
·
Apr 1 2

Dolphin: Closed-loop Open-ended Auto-research through Thinking, Practice, and Feedback

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by improving data analysis, accelerating computation, and fostering novel idea generation. To further move towards the ultimate goal (i.e., automatic scientific research), in this paper, we propose Dolphin, the first closed-loop open-ended auto-research framework to further build the entire process of human scientific research. Dolphin can generate research ideas, perform experiments, and get feedback from experimental results to generate higher-quality ideas. More specifically, Dolphin first generates novel ideas based on relevant papers which are ranked by the topic and task attributes. Then, the codes are automatically generated and debugged with the exception-traceback-guided local code structure. Finally, Dolphin automatically analyzes the results of each idea and feeds the results back to the next round of idea generation. Experiments are conducted on the benchmark datasets of different topics and results show that Dolphin can generate novel ideas continuously and complete the experiment in a loop. We highlight that Dolphin can automatically propose methods that are comparable to the state-of-the-art in some tasks such as 2D image classification and 3D point classification.

  • 9 authors
·
Jan 7 3

CodeSearchNet Challenge: Evaluating the State of Semantic Code Search

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

  • 5 authors
·
Sep 20, 2019

Language Models as Compilers: Simulating Pseudocode Execution Improves Algorithmic Reasoning in Language Models

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for large language models (LLMs), even though they have demonstrated promising performance in other reasoning tasks. Within this context, some recent studies use programming languages (e.g., Python) to express the necessary logic for solving a given instance/question (e.g., Program-of-Thought) as inspired by their strict and precise syntaxes. However, it is non-trivial to write an executable code that expresses the correct logic on the fly within a single inference call. Also, the code generated specifically for an instance cannot be reused for others, even if they are from the same task and might require identical logic to solve. This paper presents Think-and-Execute, a novel framework that decomposes the reasoning process of language models into two steps. (1) In Think, we discover a task-level logic that is shared across all instances for solving a given task and then express the logic with pseudocode; (2) In Execute, we further tailor the generated pseudocode to each instance and simulate the execution of the code. With extensive experiments on seven algorithmic reasoning tasks, we demonstrate the effectiveness of Think-and-Execute. Our approach better improves LMs' reasoning compared to several strong baselines performing instance-specific reasoning (e.g., CoT and PoT), suggesting the helpfulness of discovering task-level logic. Also, we show that compared to natural language, pseudocode can better guide the reasoning of LMs, even though they are trained to follow natural language instructions.

  • 11 authors
·
Apr 3, 2024 9

MLAgentBench: Evaluating Language Agents on Machine Learning Experimentation

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.

  • 4 authors
·
Oct 5, 2023

ComPile: A Large IR Dataset from Production Sources

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

  • 9 authors
·
Sep 27, 2023

TaskMatrix.AI: Completing Tasks by Connecting Foundation Models with Millions of APIs

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

  • 14 authors
·
Mar 28, 2023

PyGen: A Collaborative Human-AI Approach to Python Package Creation

The principles of automation and innovation serve as foundational elements for advancement in contemporary science and technology. Here, we introduce Pygen, an automation platform designed to empower researchers, technologists, and hobbyists to bring abstract ideas to life as core, usable software tools written in Python. Pygen leverages the immense power of autoregressive large language models to augment human creativity during the ideation, iteration, and innovation process. By combining state-of-the-art language models with open-source code generation technologies, Pygen has significantly reduced the manual overhead of tool development. From a user prompt, Pygen automatically generates Python packages for a complete workflow from concept to package generation and documentation. The findings of our work show that Pygen considerably enhances the researcher's productivity by enabling the creation of resilient, modular, and well-documented packages for various specialized purposes. We employ a prompt enhancement approach to distill the user's package description into increasingly specific and actionable. While being inherently an open-ended task, we have evaluated the generated packages and the documentation using Human Evaluation, LLM-based evaluation, and CodeBLEU, with detailed results in the results section. Furthermore, we documented our results, analyzed the limitations, and suggested strategies to alleviate them. Pygen is our vision of ethical automation, a framework that promotes inclusivity, accessibility, and collaborative development. This project marks the beginning of a large-scale effort towards creating tools where intelligent agents collaborate with humans to improve scientific and technological development substantially. Our code and generated examples are open-sourced at [https://github.com/GitsSaikat/Pygen]

  • 6 authors
·
Nov 12, 2024

RExBench: Can coding agents autonomously implement AI research extensions?

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research pipeline in machine learning and the natural sciences. We argue that research extension and its implementation is a critical capability for such systems, and introduce RExBench to support the evaluation of this capability. RExBench is a benchmark consisting of 12 realistic research experiment implementation tasks that aim to investigate research hypotheses that have not previously been implemented. Each task is set up as an extension to an existing research paper and codebase, accompanied by domain expert-written instructions. RExBench is robust to data contamination, and supports an automatic evaluation infrastructure that executes agent outputs to determine whether the success criteria are met. We use this benchmark to evaluate nine LLM agents implemented using three different frameworks: aider, Claude Code, and OpenHands. We find that all agents evaluated fail to autonomously implement the majority of the extensions. Although the success rate improves with additional human-written hints, the best performance under this setting remains below 40%. This indicates that current agents are still short of being able to handle realistic research extension tasks without substantial human guidance.

  • 7 authors
·
Jun 27 1

An Exploratory Literature Study on Sharing and Energy Use of Language Models for Source Code

Large language models trained on source code can support a variety of software development tasks, such as code recommendation and program repair. Large amounts of data for training such models benefit the models' performance. However, the size of the data and models results in long training times and high energy consumption. While publishing source code allows for replicability, users need to repeat the expensive training process if models are not shared. The main goal of the study is to investigate if publications that trained language models for software engineering (SE) tasks share source code and trained artifacts. The second goal is to analyze the transparency on training energy usage. We perform a snowballing-based literature search to find publications on language models for source code, and analyze their reusability from a sustainability standpoint. From 494 unique publications, we identified 293 relevant publications that use language models to address code-related tasks. Among them, 27% (79 out of 293) make artifacts available for reuse. This can be in the form of tools or IDE plugins designed for specific tasks or task-agnostic models that can be fine-tuned for a variety of downstream tasks. Moreover, we collect insights on the hardware used for model training, as well as training time, which together determine the energy consumption of the development process. We find that there are deficiencies in the sharing of information and artifacts for current studies on source code models for software engineering tasks, with 40% of the surveyed papers not sharing source code or trained artifacts. We recommend the sharing of source code as well as trained artifacts, to enable sustainable reproducibility. Moreover, comprehensive information on training times and hardware configurations should be shared for transparency on a model's carbon footprint.

  • 3 authors
·
Jul 5, 2023

ResearchCodeAgent: An LLM Multi-Agent System for Automated Codification of Research Methodologies

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the gap between high-level research concepts and their practical implementation, allowing researchers auto-generating code of existing research papers for benchmarking or building on top-of existing methods specified in the literature with availability of partial or complete starter code. ResearchCodeAgent employs a flexible agent architecture with a comprehensive action suite, enabling context-aware interactions with the research environment. The system incorporates a dynamic planning mechanism, utilizing both short and long-term memory to adapt its approach iteratively. We evaluate ResearchCodeAgent on three distinct machine learning tasks with distinct task complexity and representing different parts of the ML pipeline: data augmentation, optimization, and data batching. Our results demonstrate the system's effectiveness and generalizability, with 46.9% of generated code being high-quality and error-free, and 25% showing performance improvements over baseline implementations. Empirical analysis shows an average reduction of 57.9% in coding time compared to manual implementation. We observe higher gains for more complex tasks. ResearchCodeAgent represents a significant step towards automating the research implementation process, potentially accelerating the pace of machine learning research.

  • 5 authors
·
Apr 28

DiscoveryBench: Towards Data-Driven Discovery with Large Language Models

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

  • 10 authors
·
Jul 1, 2024

Knowledge Graph in Astronomical Research with Large Language Models: Quantifying Driving Forces in Interdisciplinary Scientific Discovery

Identifying and predicting the factors that contribute to the success of interdisciplinary research is crucial for advancing scientific discovery. However, there is a lack of methods to quantify the integration of new ideas and technological advancements in astronomical research and how these new technologies drive further scientific breakthroughs. Large language models, with their ability to extract key concepts from vast literature beyond keyword searches, provide a new tool to quantify such processes. In this study, we extracted concepts in astronomical research from 297,807 publications between 1993 and 2024 using large language models, resulting in a set of 24,939 concepts. These concepts were then used to form a knowledge graph, where the link strength between any two concepts was determined by their relevance through the citation-reference relationships. By calculating this relevance across different time periods, we quantified the impact of numerical simulations and machine learning on astronomical research. The knowledge graph demonstrates two phases of development: a phase where the technology was integrated and another where the technology was explored in scientific discovery. The knowledge graph reveals that despite machine learning has made much inroad in astronomy, there is currently a lack of new concept development at the intersection of AI and Astronomy, which may be the current bottleneck preventing machine learning from further transforming the field of astronomy.

  • 6 authors
·
Jun 3, 2024

CPRet: A Dataset, Benchmark, and Model for Retrieval in Competitive Programming

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

  • 5 authors
·
May 19

VeriGUI: Verifiable Long-Chain GUI Dataset

Recent studies have delved into constructing autonomous agents capable of performing complex Graphical User Interface (GUI)-based computer tasks, with the potential to revolutionize human-computer interaction. Despite encouraging results, existing efforts mainly focus on short-term interactions and rely on outcome-only verification, thereby limiting their scalability in real-world GUI applications that demand long-horizon task decomposition and execution. In this work, we introduce VeriGUI, a novel verifiable long-chain GUI dataset designed to facilitate the development and evaluation of generalist GUI agents operating in realistic computer environments. Our dataset emphasizes two critical dimensions: (1) long-chain complexity, with tasks decomposed into a sequence of interdependent subtasks spanning hundreds of steps, explicitly designed to allow any subtask to serve as a valid starting point; and (2) subtask-level verifiability, which enables diverse exploration strategies within each subtask, while ensuring that each subtask-level goal remains verifiable and consistent. The dataset consists of GUI task trajectories across both desktop and web, annotated by human experts. Extensive experiments on VeriGUI using various agents with different foundation models reveal significant performance gaps in handling long-horizon tasks, highlighting the need for more robust planning and decision-making capabilities in GUI agents.

CycleResearcher: Improving Automated Research via Automated Review

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper revision. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves a 26.89\% improvement in mean absolute error (MAE) over individual human reviewers in predicting paper scores, indicating that LLMs can surpass expert-level performance in research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, surpassing the preprint level of 5.24 from human experts and approaching the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and advancing AI-driven research capabilities. The code, dataset and model weight are released at http://github/minjun-zhu/Researcher.

  • 7 authors
·
Oct 28, 2024

The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

  • 2 authors
·
Nov 13, 2023

BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning

Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of molecular structures, particularly in their textual representations (e.g., IUPAC). This paper introduces BioT5+, an extension of the BioT5 framework, tailored to enhance biological research and drug discovery. BioT5+ incorporates several novel features: integration of IUPAC names for molecular understanding, inclusion of extensive bio-text and molecule data from sources like bioRxiv and PubChem, the multi-task instruction tuning for generality across tasks, and a novel numerical tokenization technique for improved processing of numerical data. These enhancements allow BioT5+ to bridge the gap between molecular representations and their textual descriptions, providing a more holistic understanding of biological entities, and largely improving the grounded reasoning of bio-text and bio-sequences. The model is pre-trained and fine-tuned with a large number of experiments, including 3 types of problems (classification, regression, generation), 15 kinds of tasks, and 21 total benchmark datasets, demonstrating the remarkable performance and state-of-the-art results in most cases. BioT5+ stands out for its ability to capture intricate relationships in biological data, thereby contributing significantly to bioinformatics and computational biology. Our code is available at https://github.com/QizhiPei/BioT5.

  • 9 authors
·
Feb 27, 2024

The Good, the Bad, and the Missing: Neural Code Generation for Machine Learning Tasks

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

  • 5 authors
·
May 15, 2023

ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

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

  • 20 authors
·
Oct 7, 2024 2

Intelligent Load Balancing in Cloud Computer Systems

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

  • 1 authors
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Sep 22

FAIR Jupyter: a knowledge graph approach to semantic sharing and granular exploration of a computational notebook reproducibility dataset

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

  • 2 authors
·
Apr 19, 2024

Can AI Freelancers Compete? Benchmarking Earnings, Reliability, and Task Success at Scale

This study explores Large Language Models (LLMs) as autonomous agents for real-world tasks, including freelance software development. This work presents a new benchmark that evaluates LLMs on freelance programming and data analysis tasks derived from economic data. We construct the benchmark using synthetic tasks created from a Kaggle Freelancer dataset of job postings, with all job prices standardized to USD (median fixed-project price around 250, and an average of 306). Each task is accompanied by structured input-output test cases and an estimated price tag, enabling automated correctness checking and a monetary performance valuation. This approach is inspired by OpenAI's recent SWE-Lancer benchmark (1,400 real Upwork tasks worth 1M total). Still, our framework simplifies evaluation using programmatically testable tasks and predicted price values, making it highly scalable and repeatable. On this benchmark, we evaluate four modern LLMs - Claude 3.5 Haiku, GPT-4o-mini, Qwen 2.5, and Mistral. We report each model's accuracy (task success rate and test-case pass rate) and the total "freelance earnings" it achieves (sum of prices of solved tasks). Our results show that Claude 3.5 Haiku performs best, earning approximately 1.52 million USD, followed closely by GPT-4o-mini at 1.49 million, then Qwen 2.5 (1.33M) and Mistral ($0.70M). We analyze the distribution of errors per task and observe that the strongest models solve the most tasks and rarely fail completely on any project. We discuss the implications of these results for the feasibility of AI as a freelance developer, the advantages and limitations of our automated benchmark approach, and the gap between performance on structured tasks versus the true complexity of real-world freelance jobs.

  • 2 authors
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May 16 2

Barbarians at the Gate: How AI is Upending Systems Research

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

Computing Power and the Governance of Artificial Intelligence

Computing power, or "compute," is crucial for the development and deployment of artificial intelligence (AI) capabilities. As a result, governments and companies have started to leverage compute as a means to govern AI. For example, governments are investing in domestic compute capacity, controlling the flow of compute to competing countries, and subsidizing compute access to certain sectors. However, these efforts only scratch the surface of how compute can be used to govern AI development and deployment. Relative to other key inputs to AI (data and algorithms), AI-relevant compute is a particularly effective point of intervention: it is detectable, excludable, and quantifiable, and is produced via an extremely concentrated supply chain. These characteristics, alongside the singular importance of compute for cutting-edge AI models, suggest that governing compute can contribute to achieving common policy objectives, such as ensuring the safety and beneficial use of AI. More precisely, policymakers could use compute to facilitate regulatory visibility of AI, allocate resources to promote beneficial outcomes, and enforce restrictions against irresponsible or malicious AI development and usage. However, while compute-based policies and technologies have the potential to assist in these areas, there is significant variation in their readiness for implementation. Some ideas are currently being piloted, while others are hindered by the need for fundamental research. Furthermore, naive or poorly scoped approaches to compute governance carry significant risks in areas like privacy, economic impacts, and centralization of power. We end by suggesting guardrails to minimize these risks from compute governance.

  • 19 authors
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Feb 13, 2024 2

Learning to Mine Aligned Code and Natural Language Pairs from Stack Overflow

For tasks like code synthesis from natural language, code retrieval, and code summarization, data-driven models have shown great promise. However, creating these models require parallel data between natural language (NL) and code with fine-grained alignments. Stack Overflow (SO) is a promising source to create such a data set: the questions are diverse and most of them have corresponding answers with high-quality code snippets. However, existing heuristic methods (e.g., pairing the title of a post with the code in the accepted answer) are limited both in their coverage and the correctness of the NL-code pairs obtained. In this paper, we propose a novel method to mine high-quality aligned data from SO using two sets of features: hand-crafted features considering the structure of the extracted snippets, and correspondence features obtained by training a probabilistic model to capture the correlation between NL and code using neural networks. These features are fed into a classifier that determines the quality of mined NL-code pairs. Experiments using Python and Java as test beds show that the proposed method greatly expands coverage and accuracy over existing mining methods, even when using only a small number of labeled examples. Further, we find that reasonable results are achieved even when training the classifier on one language and testing on another, showing promise for scaling NL-code mining to a wide variety of programming languages beyond those for which we are able to annotate data.

  • 5 authors
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May 22, 2018

From Reproduction to Replication: Evaluating Research Agents with Progressive Code Masking

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

  • 4 authors
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Jun 24

Automated Design of Agentic Systems

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

  • 3 authors
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Aug 15, 2024 3

The Noisy Path from Source to Citation: Measuring How Scholars Engage with Past Research

Academic citations are widely used for evaluating research and tracing knowledge flows. Such uses typically rely on raw citation counts and neglect variability in citation types. In particular, citations can vary in their fidelity as original knowledge from cited studies may be paraphrased, summarized, or reinterpreted, possibly wrongly, leading to variation in how much information changes from cited to citing paper. In this study, we introduce a computational pipeline to quantify citation fidelity at scale. Using full texts of papers, the pipeline identifies citations in citing papers and the corresponding claims in cited papers, and applies supervised models to measure fidelity at the sentence level. Analyzing a large-scale multi-disciplinary dataset of approximately 13 million citation sentence pairs, we find that citation fidelity is higher when authors cite papers that are 1) more recent and intellectually close, 2) more accessible, and 3) the first author has a lower H-index and the author team is medium-sized. Using a quasi-experiment, we establish the "telephone effect" - when citing papers have low fidelity to the original claim, future papers that cite the citing paper and the original have lower fidelity to the original. Our work reveals systematic differences in citation fidelity, underscoring the limitations of analyses that rely on citation quantity alone and the potential for distortion of evidence.

  • 3 authors
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Feb 27