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Dec 10

AGIBench: A Multi-granularity, Multimodal, Human-referenced, Auto-scoring Benchmark for Large Language Models

Large language models (LLMs) like ChatGPT have revealed amazing intelligence. How to evaluate the question-solving abilities of LLMs and their degrees of intelligence is a hot-spot but challenging issue. First, the question-solving abilities are interlaced with different ability branches like understanding and massive knowledge categories like mathematics. Second, the inputs of questions are multimodal that may involve text and images. Third, the response format of LLMs is diverse and thus poses great challenges for result extraction and evaluation. In this paper, we propose AGIBench -- a multi-granularity, multimodal, human-referenced, and auto-scoring benchmarking methodology for LLMs. Instead of a collection of blended questions, AGIBench focuses on three typical ability branches and adopts a four-tuple <ability branch, knowledge, difficulty, modal> to label the attributes of each question. First, it supports multi-granularity benchmarking, e.g., per-question, per-ability branch, per-knowledge, per-modal, per-dataset, and per-difficulty level granularities. Second, it contains multimodal input, including text and images. Third, it classifies all the questions into five degrees of difficulty according to the average accuracy rate of abundant educated humans (human-referenced). Fourth, it adopts zero-shot learning to avoid introducing additional unpredictability and provides an auto-scoring method to extract and judge the result. Finally, it defines multi-dimensional metrics, including accuracy under the average, worst, best, and majority voting cases, and repeatability. AGIBench is publically available from https://www.benchcouncil.org/agibench.

  • 4 authors
·
Sep 5, 2023

ICE-Bench: A Unified and Comprehensive Benchmark for Image Creating and Editing

Image generation has witnessed significant advancements in the past few years. However, evaluating the performance of image generation models remains a formidable challenge. In this paper, we propose ICE-Bench, a unified and comprehensive benchmark designed to rigorously assess image generation models. Its comprehensiveness could be summarized in the following key features: (1) Coarse-to-Fine Tasks: We systematically deconstruct image generation into four task categories: No-ref/Ref Image Creating/Editing, based on the presence or absence of source images and reference images. And further decompose them into 31 fine-grained tasks covering a broad spectrum of image generation requirements, culminating in a comprehensive benchmark. (2) Multi-dimensional Metrics: The evaluation framework assesses image generation capabilities across 6 dimensions: aesthetic quality, imaging quality, prompt following, source consistency, reference consistency, and controllability. 11 metrics are introduced to support the multi-dimensional evaluation. Notably, we introduce VLLM-QA, an innovative metric designed to assess the success of image editing by leveraging large models. (3) Hybrid Data: The data comes from real scenes and virtual generation, which effectively improves data diversity and alleviates the bias problem in model evaluation. Through ICE-Bench, we conduct a thorough analysis of existing generation models, revealing both the challenging nature of our benchmark and the gap between current model capabilities and real-world generation requirements. To foster further advancements in the field, we will open-source ICE-Bench, including its dataset, evaluation code, and models, thereby providing a valuable resource for the research community.

  • 7 authors
·
Mar 18

Draw ALL Your Imagine: A Holistic Benchmark and Agent Framework for Complex Instruction-based Image Generation

Recent advancements in text-to-image (T2I) generation have enabled models to produce high-quality images from textual descriptions. However, these models often struggle with complex instructions involving multiple objects, attributes, and spatial relationships. Existing benchmarks for evaluating T2I models primarily focus on general text-image alignment and fail to capture the nuanced requirements of complex, multi-faceted prompts. Given this gap, we introduce LongBench-T2I, a comprehensive benchmark specifically designed to evaluate T2I models under complex instructions. LongBench-T2I consists of 500 intricately designed prompts spanning nine diverse visual evaluation dimensions, enabling a thorough assessment of a model's ability to follow complex instructions. Beyond benchmarking, we propose an agent framework (Plan2Gen) that facilitates complex instruction-driven image generation without requiring additional model training. This framework integrates seamlessly with existing T2I models, using large language models to interpret and decompose complex prompts, thereby guiding the generation process more effectively. As existing evaluation metrics, such as CLIPScore, fail to adequately capture the nuances of complex instructions, we introduce an evaluation toolkit that automates the quality assessment of generated images using a set of multi-dimensional metrics. The data and code are released at https://github.com/yczhou001/LongBench-T2I.

  • 3 authors
·
May 30

Yo'City: Personalized and Boundless 3D Realistic City Scene Generation via Self-Critic Expansion

Realistic 3D city generation is fundamental to a wide range of applications, including virtual reality and digital twins. However, most existing methods rely on training a single diffusion model, which limits their ability to generate personalized and boundless city-scale scenes. In this paper, we present Yo'City, a novel agentic framework that enables user-customized and infinitely expandable 3D city generation by leveraging the reasoning and compositional capabilities of off-the-shelf large models. Specifically, Yo'City first conceptualize the city through a top-down planning strategy that defines a hierarchical "City-District-Grid" structure. The Global Planner determines the overall layout and potential functional districts, while the Local Designer further refines each district with detailed grid-level descriptions. Subsequently, the grid-level 3D generation is achieved through a "produce-refine-evaluate" isometric image synthesis loop, followed by image-to-3D generation. To simulate continuous city evolution, Yo'City further introduces a user-interactive, relationship-guided expansion mechanism, which performs scene graph-based distance- and semantics-aware layout optimization, ensuring spatially coherent city growth. To comprehensively evaluate our method, we construct a diverse benchmark dataset and design six multi-dimensional metrics that assess generation quality from the perspectives of semantics, geometry, texture, and layout. Extensive experiments demonstrate that Yo'City consistently outperforms existing state-of-the-art methods across all evaluation aspects.

  • 9 authors
·
Nov 23 2

Rethinking Verification for LLM Code Generation: From Generation to Testing

Large language models (LLMs) have recently achieved notable success in code-generation benchmarks such as HumanEval and LiveCodeBench. However, a detailed examination reveals that these evaluation suites often comprise only a limited number of homogeneous test cases, resulting in subtle faults going undetected. This not only artificially inflates measured performance but also compromises accurate reward estimation in reinforcement learning frameworks utilizing verifiable rewards (RLVR). To address these critical shortcomings, we systematically investigate the test-case generation (TCG) task by proposing multi-dimensional metrics designed to rigorously quantify test-suite thoroughness. Furthermore, we introduce a human-LLM collaborative method (SAGA), leveraging human programming expertise with LLM reasoning capability, aimed at significantly enhancing both the coverage and the quality of generated test cases. In addition, we develop a TCGBench to facilitate the study of the TCG task. Experiments show that SAGA achieves a detection rate of 90.62% and a verifier accuracy of 32.58% on TCGBench. The Verifier Accuracy (Verifier Acc) of the code generation evaluation benchmark synthesized by SAGA is 10.78% higher than that of LiveCodeBench-v6. These results demonstrate the effectiveness of our proposed method. We hope this work contributes to building a scalable foundation for reliable LLM code evaluation, further advancing RLVR in code generation, and paving the way for automated adversarial test synthesis and adaptive benchmark integration.

  • 7 authors
·
Jul 9 1

Aquarius: A Family of Industry-Level Video Generation Models for Marketing Scenarios

This report introduces Aquarius, a family of industry-level video generation models for marketing scenarios designed for thousands-xPU clusters and models with hundreds of billions of parameters. Leveraging efficient engineering architecture and algorithmic innovation, Aquarius demonstrates exceptional performance in high-fidelity, multi-aspect-ratio, and long-duration video synthesis. By disclosing the framework's design details, we aim to demystify industrial-scale video generation systems and catalyze advancements in the generative video community. The Aquarius framework consists of five components: Distributed Graph and Video Data Processing Pipeline: Manages tens of thousands of CPUs and thousands of xPUs via automated task distribution, enabling efficient video data processing. Additionally, we are about to open-source the entire data processing framework named "Aquarius-Datapipe". Model Architectures for Different Scales: Include a Single-DiT architecture for 2B models and a Multimodal-DiT architecture for 13.4B models, supporting multi-aspect ratios, multi-resolution, and multi-duration video generation. High-Performance infrastructure designed for video generation model training: Incorporating hybrid parallelism and fine-grained memory optimization strategies, this infrastructure achieves 36% MFU at large scale. Multi-xPU Parallel Inference Acceleration: Utilizes diffusion cache and attention optimization to achieve a 2.35x inference speedup. Multiple marketing-scenarios applications: Including image-to-video, text-to-video (avatar), video inpainting and video personalization, among others. More downstream applications and multi-dimensional evaluation metrics will be added in the upcoming version updates.

  • 6 authors
·
May 14

Baichuan-M2: Scaling Medical Capability with Large Verifier System

As large language models (LLMs) advance in conversational and reasoning capabilities, their practical application in healthcare has become a critical research focus. However, there is a notable gap between the performance of medical LLMs on static benchmarks such as USMLE and their utility in real-world clinical decision-making. This discrepancy arises because traditional exams fail to capture the dynamic, interactive nature of medical consultations. To address this challenge, we introduce a novel dynamic verification framework that moves beyond static answer verifier, establishing a large-scale, high-fidelity interactive reinforcement learning system. Our framework comprises two key components: a Patient Simulator that creates realistic clinical environments using de-identified medical records, and a Clinical Rubrics Generator that dynamically produces multi-dimensional evaluation metrics. Building on this foundation, we develop Baichuan-M2, a 32B-parameter medical augmented reasoning model trained through a multi-stage reinforcement learning strategy with an improved Group Relative Policy Optimization (GRPO) algorithm. Evaluated on HealthBench, Baichuan-M2 outperforms all other open-source models and most advanced closed-source counterparts, achieving a score above 32 on the challenging HealthBench Hard benchmark-previously exceeded only by GPT-5. Our work demonstrates that robust dynamic verifier system is essential for aligning LLM capabilities with practical clinical applications, establishing a new Pareto front in the performance-parameter trade-off for medical AI deployment.

MCP-RADAR: A Multi-Dimensional Benchmark for Evaluating Tool Use Capabilities in Large Language Models

As Large Language Models (LLMs) evolve from passive text generators to active reasoning agents capable of tool interaction, the Model Context Protocol (MCP) has emerged as a standardized framework for dynamic tool discovery and orchestration. Despite widespread industry adoption, existing evaluation methodologies fail to adequately assess tool utilization capabilities within this new paradigm. This paper introduces MCP-RADAR, the first comprehensive benchmark specifically designed to evaluate LLM performance in the MCP framework through a novel five-dimensional approach measuring: answer accuracy, tool selection efficiency, computational resource efficiency, parameter construction accuracy, and execution speed. Unlike conventional benchmarks that rely on subjective human evaluations or binary success metrics, MCP-RADAR employs objective, quantifiable measurements across multiple task domains including software engineering, mathematical reasoning, and general problem-solving. Our evaluations of leading commercial and open-source LLMs reveal distinctive capability profiles with significant trade-offs between accuracy, efficiency, and speed, challenging traditional single-metric performance rankings. Besides, we provide valuable guidance for developers to optimize their tools for maximum model compatibility and effectiveness. While focused on MCP due to its standardized approach, our methodology remains applicable across all LLM agent tool integration frameworks, providing valuable insights for both LLM developers and tool creators to optimize the entire LLM-tool interaction ecosystem. The implementation, configurations, and datasets used in our evaluation are publicly available at https://anonymous.4open.science/r/MCPRadar-B143.

  • 5 authors
·
May 22

Towards a Unified Multi-Dimensional Evaluator for Text Generation

Multi-dimensional evaluation is the dominant paradigm for human evaluation in Natural Language Generation (NLG), i.e., evaluating the generated text from multiple explainable dimensions, such as coherence and fluency. However, automatic evaluation in NLG is still dominated by similarity-based metrics, and we lack a reliable framework for a more comprehensive evaluation of advanced models. In this paper, we propose a unified multi-dimensional evaluator UniEval for NLG. We re-frame NLG evaluation as a Boolean Question Answering (QA) task, and by guiding the model with different questions, we can use one evaluator to evaluate from multiple dimensions. Furthermore, thanks to the unified Boolean QA format, we are able to introduce an intermediate learning phase that enables UniEval to incorporate external knowledge from multiple related tasks and gain further improvement. Experiments on three typical NLG tasks show that UniEval correlates substantially better with human judgments than existing metrics. Specifically, compared to the top-performing unified evaluators, UniEval achieves a 23% higher correlation on text summarization, and over 43% on dialogue response generation. Also, UniEval demonstrates a strong zero-shot learning ability for unseen evaluation dimensions and tasks. Source code, data and all pre-trained evaluators are available on our GitHub repository (https://github.com/maszhongming/UniEval).

  • 9 authors
·
Oct 13, 2022

Meta-rater: A Multi-dimensional Data Selection Method for Pre-training Language Models

The composition of pre-training datasets for large language models (LLMs) remains largely undisclosed, hindering transparency and efforts to optimize data quality, a critical driver of model performance. Current data selection methods, such as natural language quality assessments, diversity-based filters, and classifier-based approaches, are limited by single-dimensional evaluation or redundancy-focused strategies. To address these gaps, we propose four dimensions to evaluate data quality: professionalism, readability, reasoning, and cleanliness. We further introduce Meta-rater,a multi-dimensional data selection method that integrates these dimensions with existing quality metrics through learned optimal weightings. Meta-rater employs proxy models to train a regression model that predicts validation loss, enabling the identification of optimal combinations of quality scores. Experiments demonstrate that Meta-rater doubles convergence speed for 1.3B parameter models and improves downstream task performance by 3.23, with advantages that scale to models as large as 7.2B parameters. Our work establishes that holistic, multi-dimensional quality integration significantly outperforms conventional single-dimension approaches, offering a scalable paradigm for enhancing pre-training efficiency and model capability. To advance future research, we release scripts, data, and models at https://github.com/opendatalab/Meta-rater.

  • 10 authors
·
Apr 19

OmniEval: An Omnidirectional and Automatic RAG Evaluation Benchmark in Financial Domain

As a typical and practical application of Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) techniques have gained extensive attention, particularly in vertical domains where LLMs may lack domain-specific knowledge. In this paper, we introduce an omnidirectional and automatic RAG benchmark, OmniEval, in the financial domain. Our benchmark is characterized by its multi-dimensional evaluation framework, including (1) a matrix-based RAG scenario evaluation system that categorizes queries into five task classes and 16 financial topics, leading to a structured assessment of diverse query scenarios; (2) a multi-dimensional evaluation data generation approach, which combines GPT-4-based automatic generation and human annotation, achieving an 87.47\% acceptance ratio in human evaluations on generated instances; (3) a multi-stage evaluation system that evaluates both retrieval and generation performance, result in a comprehensive evaluation on the RAG pipeline; and (4) robust evaluation metrics derived from rule-based and LLM-based ones, enhancing the reliability of assessments through manual annotations and supervised fine-tuning of an LLM evaluator. Our experiments demonstrate the comprehensiveness of OmniEval, which includes extensive test datasets and highlights the performance variations of RAG systems across diverse topics and tasks, revealing significant opportunities for RAG models to improve their capabilities in vertical domains. We open source the code of our benchmark in https://github.com/RUC-NLPIR/OmniEval{https://github.com/RUC-NLPIR/OmniEval}.

  • 4 authors
·
Dec 17, 2024 2

Learning to Generate Research Idea with Dynamic Control

The rapid advancements in large language models (LLMs) have demonstrated their potential to accelerate scientific discovery, particularly in automating the process of research ideation. LLM-based systems have shown promise in generating hypotheses and research ideas. However, current approaches predominantly rely on prompting-based pre-trained models, limiting their ability to optimize generated content effectively. Moreover, they also lack the capability to deal with the complex interdependence and inherent restrictions among novelty, feasibility, and effectiveness, which remains challenging due to the inherent trade-offs among these dimensions, such as the innovation-feasibility conflict. To address these limitations, we for the first time propose fine-tuning LLMs to be better idea proposers and introduce a novel framework that employs a two-stage approach combining Supervised Fine-Tuning (SFT) and controllable Reinforcement Learning (RL). In the SFT stage, the model learns foundational patterns from pairs of research papers and follow-up ideas. In the RL stage, multi-dimensional reward modeling, guided by fine-grained feedback, evaluates and optimizes the generated ideas across key metrics. Dimensional controllers enable dynamic adjustment of generation, while a sentence-level decoder ensures context-aware emphasis during inference. Our framework provides a balanced approach to research ideation, achieving high-quality outcomes by dynamically navigating the trade-offs among novelty, feasibility, and effectiveness.

  • 5 authors
·
Dec 19, 2024

HAICOSYSTEM: An Ecosystem for Sandboxing Safety Risks in Human-AI Interactions

AI agents are increasingly autonomous in their interactions with human users and tools, leading to increased interactional safety risks. We present HAICOSYSTEM, a framework examining AI agent safety within diverse and complex social interactions. HAICOSYSTEM features a modular sandbox environment that simulates multi-turn interactions between human users and AI agents, where the AI agents are equipped with a variety of tools (e.g., patient management platforms) to navigate diverse scenarios (e.g., a user attempting to access other patients' profiles). To examine the safety of AI agents in these interactions, we develop a comprehensive multi-dimensional evaluation framework that uses metrics covering operational, content-related, societal, and legal risks. Through running 1840 simulations based on 92 scenarios across seven domains (e.g., healthcare, finance, education), we demonstrate that HAICOSYSTEM can emulate realistic user-AI interactions and complex tool use by AI agents. Our experiments show that state-of-the-art LLMs, both proprietary and open-sourced, exhibit safety risks in over 50\% cases, with models generally showing higher risks when interacting with simulated malicious users. Our findings highlight the ongoing challenge of building agents that can safely navigate complex interactions, particularly when faced with malicious users. To foster the AI agent safety ecosystem, we release a code platform that allows practitioners to create custom scenarios, simulate interactions, and evaluate the safety and performance of their agents.

  • 12 authors
·
Sep 24, 2024

CI-VID: A Coherent Interleaved Text-Video Dataset

Text-to-video (T2V) generation has recently attracted considerable attention, resulting in the development of numerous high-quality datasets that have propelled progress in this area. However, existing public datasets are primarily composed of isolated text-video (T-V) pairs and thus fail to support the modeling of coherent multi-clip video sequences. To address this limitation, we introduce CI-VID, a dataset that moves beyond isolated text-to-video (T2V) generation toward text-and-video-to-video (TV2V) generation, enabling models to produce coherent, multi-scene video sequences. CI-VID contains over 340,000 samples, each featuring a coherent sequence of video clips with text captions that capture both the individual content of each clip and the transitions between them, enabling visually and textually grounded generation. To further validate the effectiveness of CI-VID, we design a comprehensive, multi-dimensional benchmark incorporating human evaluation, VLM-based assessment, and similarity-based metrics. Experimental results demonstrate that models trained on CI-VID exhibit significant improvements in both accuracy and content consistency when generating video sequences. This facilitates the creation of story-driven content with smooth visual transitions and strong temporal coherence, underscoring the quality and practical utility of the CI-VID dataset We release the CI-VID dataset and the accompanying code for data construction and evaluation at: https://github.com/ymju-BAAI/CI-VID

  • 10 authors
·
Jul 2

GTPBD: A Fine-Grained Global Terraced Parcel and Boundary Dataset

Agricultural parcels serve as basic units for conducting agricultural practices and applications, which is vital for land ownership registration, food security assessment, soil erosion monitoring, etc. However, existing agriculture parcel extraction studies only focus on mid-resolution mapping or regular plain farmlands while lacking representation of complex terraced terrains due to the demands of precision agriculture.In this paper, we introduce a more fine-grained terraced parcel dataset named GTPBD (Global Terraced Parcel and Boundary Dataset), which is the first fine-grained dataset covering major worldwide terraced regions with more than 200,000 complex terraced parcels with manual annotation. GTPBD comprises 47,537 high-resolution images with three-level labels, including pixel-level boundary labels, mask labels, and parcel labels. It covers seven major geographic zones in China and transcontinental climatic regions around the world.Compared to the existing datasets, the GTPBD dataset brings considerable challenges due to the: (1) terrain diversity; (2) complex and irregular parcel objects; and (3) multiple domain styles. Our proposed GTPBD dataset is suitable for four different tasks, including semantic segmentation, edge detection, terraced parcel extraction, and unsupervised domain adaptation (UDA) tasks.Accordingly, we benchmark the GTPBD dataset on eight semantic segmentation methods, four edge extraction methods, three parcel extraction methods, and five UDA methods, along with a multi-dimensional evaluation framework integrating pixel-level and object-level metrics. GTPBD fills a critical gap in terraced remote sensing research, providing a basic infrastructure for fine-grained agricultural terrain analysis and cross-scenario knowledge transfer.

  • 7 authors
·
Jul 19

Probing Preference Representations: A Multi-Dimensional Evaluation and Analysis Method for Reward Models

Previous methods evaluate reward models by testing them on a fixed pairwise ranking test set, but they typically do not provide performance information on each preference dimension. In this work, we address the evaluation challenge of reward models by probing preference representations. To confirm the effectiveness of this evaluation method, we construct a Multi-dimensional Reward Model Benchmark (MRMBench), a collection of six probing tasks for different preference dimensions. We design it to favor and encourage reward models that better capture preferences across different dimensions. Furthermore, we introduce an analysis method, inference-time probing, which identifies the dimensions used during the reward prediction and enhances its interpretability. Through extensive experiments, we find that MRMBench strongly correlates with the alignment performance of large language models (LLMs), making it a reliable reference for developing advanced reward models. Our analysis of MRMBench evaluation results reveals that reward models often struggle to capture preferences across multiple dimensions, highlighting the potential of multi-objective optimization in reward modeling. Additionally, our findings show that the proposed inference-time probing method offers a reliable metric for assessing the confidence of reward predictions, which ultimately improves the alignment of LLMs.

  • 13 authors
·
Nov 16

Envision: Benchmarking Unified Understanding & Generation for Causal World Process Insights

Current multimodal models aim to transcend the limitations of single-modality representations by unifying understanding and generation, often using text-to-image (T2I) tasks to calibrate semantic consistency. However, their reliance on static, single-image generation in training and evaluation leads to overfitting to static pattern matching and semantic fusion, while fundamentally hindering their ability to model dynamic processes that unfold over time. To address these constraints, we propose Envision-a causal event progression benchmark for chained text-to-multi-image generation. Grounded in world knowledge and structured by spatiotemporal causality, it reorganizes existing evaluation dimensions and includes 1,000 four-stage prompts spanning six scientific and humanities domains. To transition evaluation from single images to sequential frames and assess whether models truly internalize world knowledge while adhering to causal-temporal constraints, we introduce Envision-Score, a holistic metric integrating multi-dimensional consistency, physicality, and aesthetics. Comprehensive evaluation of 15 models (10 specialized T2I models, 5 unified models) uncovers: specialized T2I models demonstrate proficiency in aesthetic rendering yet lack intrinsic world knowledge. Unified multimodal models bridge this gap, consistently outperforming specialized counterparts in causal narrative coherence. However, even these unified architectures remain subordinate to closed-source models and struggle to overcome the core challenge of spatiotemporal consistency. This demonstrates that a focus on causally-isolated single images impedes multi-frame reasoning and generation, promoting static pattern matching over dynamic world modeling-ultimately limiting world knowledge internalization, generation.

opendatalab OpenDataLab
·
Dec 1 4

A Rigorous Benchmark with Multidimensional Evaluation for Deep Research Agents: From Answers to Reports

Artificial intelligence is undergoing the paradigm shift from closed language models to interconnected agent systems capable of external perception and information integration. As a representative embodiment, Deep Research Agents (DRAs) systematically exhibit the capabilities for task decomposition, cross-source retrieval, multi-stage reasoning, and structured output, which markedly enhance performance on complex and open-ended tasks. However, existing benchmarks remain deficient in evaluation dimensions, response formatting, and scoring mechanisms, limiting their capacity to assess such systems effectively. This paper introduces a rigorous benchmark and a multidimensional evaluation framework tailored to DRAs and report-style responses. The benchmark comprises 214 expert-curated challenging queries distributed across 10 broad thematic domains, each accompanied by manually constructed reference bundles to support composite evaluation. The framework enables comprehensive evaluation of long-form reports generated by DRAs, incorporating integrated scoring metrics for semantic quality, topical focus, and retrieval trustworthiness. Extensive experimentation confirms the superior performance of mainstream DRAs over web-search-tool-augmented reasoning models, yet reveals considerable scope for further improvement. This study provides a robust foundation for capability assessment, architectural refinement, and paradigm advancement in DRA systems.

MetricGrids: Arbitrary Nonlinear Approximation with Elementary Metric Grids based Implicit Neural Representation

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their efficiency and scalability, the existing feature grids with linear indexing for continuous-space points can only provide degenerate linear latent space representations, and such representations cannot be adequately compensated to represent complex nonlinear signals by the following compact decoder. To address this problem while keeping the simplicity of a regular grid structure, our approach builds upon the standard grid-based paradigm by constructing multiple elementary metric grids as high-order terms to approximate complex nonlinearities, following the Taylor expansion principle. Furthermore, we enhance model compactness with hash encoding based on different sparsities of the grids to prevent detrimental hash collisions, and a high-order extrapolation decoder to reduce explicit grid storage requirements. experimental results on both 2D and 3D reconstructions demonstrate the superior fitting and rendering accuracy of the proposed method across diverse signal types, validating its robustness and generalizability. Code is available at https://github.com/wangshu31/MetricGrids}{https://github.com/wangshu31/MetricGrids.

  • 8 authors
·
Mar 12

Signal-to-Noise Ratio: A Robust Distance Metric for Deep Metric Learning

Deep metric learning, which learns discriminative features to process image clustering and retrieval tasks, has attracted extensive attention in recent years. A number of deep metric learning methods, which ensure that similar examples are mapped close to each other and dissimilar examples are mapped farther apart, have been proposed to construct effective structures for loss functions and have shown promising results. In this paper, different from the approaches on learning the loss structures, we propose a robust SNR distance metric based on Signal-to-Noise Ratio (SNR) for measuring the similarity of image pairs for deep metric learning. By exploring the properties of our SNR distance metric from the view of geometry space and statistical theory, we analyze the properties of our metric and show that it can preserve the semantic similarity between image pairs, which well justify its suitability for deep metric learning. Compared with Euclidean distance metric, our SNR distance metric can further jointly reduce the intra-class distances and enlarge the inter-class distances for learned features. Leveraging our SNR distance metric, we propose Deep SNR-based Metric Learning (DSML) to generate discriminative feature embeddings. By extensive experiments on three widely adopted benchmarks, including CARS196, CUB200-2011 and CIFAR10, our DSML has shown its superiority over other state-of-the-art methods. Additionally, we extend our SNR distance metric to deep hashing learning, and conduct experiments on two benchmarks, including CIFAR10 and NUS-WIDE, to demonstrate the effectiveness and generality of our SNR distance metric.

  • 5 authors
·
Apr 4, 2019

CADmium: Fine-Tuning Code Language Models for Text-Driven Sequential CAD Design

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a time-intensive, manual task. Recent works have attempted to automate this process with small transformer-based models and handcrafted CAD sequence representations. However, there has been little effort to leverage the potential of large language models (LLMs) for sequential CAD design. In this work, we introduce a new large-scale dataset of more than 170k CAD models annotated with high-quality, human-like descriptions generated with our pipeline based on GPT-4.1. Using this dataset, we fine-tune powerful code-LLMs to generate CAD sequences represented in a JSON-based format from natural language descriptions, demonstrating the viability and effectiveness of this approach for text-conditioned CAD generation. Because simple metrics often fail to reflect the quality of generated objects, we introduce geometric and topological metrics based on sphericity, mean curvature, and Euler characteristic to provide richer structural insights. Our experiments and ablation studies on both synthetic and human-annotated data demonstrate that CADmium is able to automate CAD design, drastically speeding up the design of new objects. The dataset, code, and fine-tuned models are available online.

  • 5 authors
·
Jul 13

MLLM-CBench:A Comprehensive Benchmark for Continual Instruction Tuning of Multimodal LLMs with Chain-of-Thought Reasoning Analysis

Multimodal large language models (MLLMs) require continual instruction tuning during their post-training phase to adapt to the dynamic real-world demands. However, the absence of rigorous and systematic benchmarks has hindered progress in this area. To bridge this gap, we introduce MLLM-CTBench, a dataset curating seven challenging tasks from six diverse domains with three contributions. First,to enable fine-grained analysis of continual learning ability, we introduce multidimensional evaluation metrics, which combines final answer accuracy with Chain-of-Thought (CoT) reasoning quality assessment through a carefully trained MLLM evaluator. Then, we conduct a comprehensive evaluation of continual learning algorithms, systematically assessing eight algorithms from four major categories to provide actionable insights for algorithm design and adoption. Finally ,we evaluate the efficacy of Reinforcement Fine-tuning (RFT) versus Supervised Fine-tuning (SFT) in maintaining model performance across sequential tasks during continual instruction tuning. Our experiments demonstrate that reasoning processes in MLLMs exhibit greater resilience than final outputs to forgetting during continual learning, aligning with cognitive theories of hierarchical forgetting. We further show that both model capability and task sequence significantly influence continual learning outcomes, with stronger baseline models exhibiting greater resistance to forgetting. Notably, properly regularized RFT emerges as a more robust approach than SFT for maintaining performance across tasks.One of the key contributing factors is KL-divergence regularization, without which RFT leads to even worse forgetting than SFT on old tasks though may perform better on new tasks.

  • 9 authors
·
Jul 31

Geometry-Aware Adaptation for Pretrained Models

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

  • 7 authors
·
Jul 23, 2023

SuSana Distancia is all you need: Enforcing class separability in metric learning via two novel distance-based loss functions for few-shot image classification

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

  • 7 authors
·
May 15, 2023

Attention-based Dynamic Subspace Learners for Medical Image Analysis

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

  • 3 authors
·
Jun 17, 2022

GSSF: Generalized Structural Sparse Function for Deep Cross-modal Metric Learning

Cross-modal metric learning is a prominent research topic that bridges the semantic heterogeneity between vision and language. Existing methods frequently utilize simple cosine or complex distance metrics to transform the pairwise features into a similarity score, which suffers from an inadequate or inefficient capability for distance measurements. Consequently, we propose a Generalized Structural Sparse Function to dynamically capture thorough and powerful relationships across modalities for pair-wise similarity learning while remaining concise but efficient. Specifically, the distance metric delicately encapsulates two formats of diagonal and block-diagonal terms, automatically distinguishing and highlighting the cross-channel relevancy and dependency inside a structured and organized topology. Hence, it thereby empowers itself to adapt to the optimal matching patterns between the paired features and reaches a sweet spot between model complexity and capability. Extensive experiments on cross-modal and two extra uni-modal retrieval tasks (image-text retrieval, person re-identification, fine-grained image retrieval) have validated its superiority and flexibility over various popular retrieval frameworks. More importantly, we further discover that it can be seamlessly incorporated into multiple application scenarios, and demonstrates promising prospects from Attention Mechanism to Knowledge Distillation in a plug-and-play manner. Our code is publicly available at: https://github.com/Paranioar/GSSF.

  • 6 authors
·
Oct 19, 2024

A Comprehensive Survey of Evaluation Techniques for Recommendation Systems

The effectiveness of recommendation systems is pivotal to user engagement and satisfaction in online platforms. As these recommendation systems increasingly influence user choices, their evaluation transcends mere technical performance and becomes central to business success. This paper addresses the multifaceted nature of recommendations system evaluation by introducing a comprehensive suite of metrics, each tailored to capture a distinct aspect of system performance. We discuss * Similarity Metrics: to quantify the precision of content-based filtering mechanisms and assess the accuracy of collaborative filtering techniques. * Candidate Generation Metrics: to evaluate how effectively the system identifies a broad yet relevant range of items. * Predictive Metrics: to assess the accuracy of forecasted user preferences. * Ranking Metrics: to evaluate the effectiveness of the order in which recommendations are presented. * Business Metrics: to align the performance of the recommendation system with economic objectives. Our approach emphasizes the contextual application of these metrics and their interdependencies. In this paper, we identify the strengths and limitations of current evaluation practices and highlight the nuanced trade-offs that emerge when optimizing recommendation systems across different metrics. The paper concludes by proposing a framework for selecting and interpreting these metrics to not only improve system performance but also to advance business goals. This work is to aid researchers and practitioners in critically assessing recommendation systems and fosters the development of more nuanced, effective, and economically viable personalization strategies. Our code is available at GitHub - https://github.com/aryan-jadon/Evaluation-Metrics-for-Recommendation-Systems.

  • 2 authors
·
Dec 26, 2023

Fat Polygonal Partitions with Applications to Visualization and Embeddings

Let T be a rooted and weighted tree, where the weight of any node is equal to the sum of the weights of its children. The popular Treemap algorithm visualizes such a tree as a hierarchical partition of a square into rectangles, where the area of the rectangle corresponding to any node in T is equal to the weight of that node. The aspect ratio of the rectangles in such a rectangular partition necessarily depends on the weights and can become arbitrarily high. We introduce a new hierarchical partition scheme, called a polygonal partition, which uses convex polygons rather than just rectangles. We present two methods for constructing polygonal partitions, both having guarantees on the worst-case aspect ratio of the constructed polygons; in particular, both methods guarantee a bound on the aspect ratio that is independent of the weights of the nodes. We also consider rectangular partitions with slack, where the areas of the rectangles may differ slightly from the weights of the corresponding nodes. We show that this makes it possible to obtain partitions with constant aspect ratio. This result generalizes to hyper-rectangular partitions in R^d. We use these partitions with slack for embedding ultrametrics into d-dimensional Euclidean space: we give a rm polylog(Delta)-approximation algorithm for embedding n-point ultrametrics into R^d with minimum distortion, where Delta denotes the spread of the metric, i.e., the ratio between the largest and the smallest distance between two points. The previously best-known approximation ratio for this problem was polynomial in n. This is the first algorithm for embedding a non-trivial family of weighted-graph metrics into a space of constant dimension that achieves polylogarithmic approximation ratio.

  • 3 authors
·
Sep 9, 2010

Towards Metrical Reconstruction of Human Faces

Face reconstruction and tracking is a building block of numerous applications in AR/VR, human-machine interaction, as well as medical applications. Most of these applications rely on a metrically correct prediction of the shape, especially, when the reconstructed subject is put into a metrical context (i.e., when there is a reference object of known size). A metrical reconstruction is also needed for any application that measures distances and dimensions of the subject (e.g., to virtually fit a glasses frame). State-of-the-art methods for face reconstruction from a single image are trained on large 2D image datasets in a self-supervised fashion. However, due to the nature of a perspective projection they are not able to reconstruct the actual face dimensions, and even predicting the average human face outperforms some of these methods in a metrical sense. To learn the actual shape of a face, we argue for a supervised training scheme. Since there exists no large-scale 3D dataset for this task, we annotated and unified small- and medium-scale databases. The resulting unified dataset is still a medium-scale dataset with more than 2k identities and training purely on it would lead to overfitting. To this end, we take advantage of a face recognition network pretrained on a large-scale 2D image dataset, which provides distinct features for different faces and is robust to expression, illumination, and camera changes. Using these features, we train our face shape estimator in a supervised fashion, inheriting the robustness and generalization of the face recognition network. Our method, which we call MICA (MetrIC fAce), outperforms the state-of-the-art reconstruction methods by a large margin, both on current non-metric benchmarks as well as on our metric benchmarks (15% and 24% lower average error on NoW, respectively).

  • 3 authors
·
Apr 13, 2022

InfiAlign: A Scalable and Sample-Efficient Framework for Aligning LLMs to Enhance Reasoning Capabilities

Large language models (LLMs) have exhibited impressive reasoning abilities on a wide range of complex tasks. However, enhancing these capabilities through post-training remains resource intensive, particularly in terms of data and computational cost. Although recent efforts have sought to improve sample efficiency through selective data curation, existing methods often rely on heuristic or task-specific strategies that hinder scalability. In this work, we introduce InfiAlign, a scalable and sample-efficient post-training framework that integrates supervised fine-tuning (SFT) with Direct Preference Optimization (DPO) to align LLMs for enhanced reasoning. At the core of InfiAlign is a robust data selection pipeline that automatically curates high-quality alignment data from open-source reasoning datasets using multidimensional quality metrics. This pipeline enables significant performance gains while drastically reducing data requirements and remains extensible to new data sources. When applied to the Qwen2.5-Math-7B-Base model, our SFT model achieves performance on par with DeepSeek-R1-Distill-Qwen-7B, while using only approximately 12% of the training data, and demonstrates strong generalization across diverse reasoning tasks. Additional improvements are obtained through the application of DPO, with particularly notable gains in mathematical reasoning tasks. The model achieves an average improvement of 3.89% on AIME 24/25 benchmarks. Our results highlight the effectiveness of combining principled data selection with full-stage post-training, offering a practical solution for aligning large reasoning models in a scalable and data-efficient manner. The model checkpoints are available at https://huggingface.co/InfiX-ai/InfiAlign-Qwen-7B-SFT.

Energy Confused Adversarial Metric Learning for Zero-Shot Image Retrieval and Clustering

Deep metric learning has been widely applied in many computer vision tasks, and recently, it is more attractive in zero-shot image retrieval and clustering(ZSRC) where a good embedding is requested such that the unseen classes can be distinguished well. Most existing works deem this 'good' embedding just to be the discriminative one and thus race to devise powerful metric objectives or hard-sample mining strategies for leaning discriminative embedding. However, in this paper, we first emphasize that the generalization ability is a core ingredient of this 'good' embedding as well and largely affects the metric performance in zero-shot settings as a matter of fact. Then, we propose the Energy Confused Adversarial Metric Learning(ECAML) framework to explicitly optimize a robust metric. It is mainly achieved by introducing an interesting Energy Confusion regularization term, which daringly breaks away from the traditional metric learning idea of discriminative objective devising, and seeks to 'confuse' the learned model so as to encourage its generalization ability by reducing overfitting on the seen classes. We train this confusion term together with the conventional metric objective in an adversarial manner. Although it seems weird to 'confuse' the network, we show that our ECAML indeed serves as an efficient regularization technique for metric learning and is applicable to various conventional metric methods. This paper empirically and experimentally demonstrates the importance of learning embedding with good generalization, achieving state-of-the-art performances on the popular CUB, CARS, Stanford Online Products and In-Shop datasets for ZSRC tasks. \textcolor[rgb]{1, 0, 0}{Code available at http://www.bhchen.cn/}.

  • 2 authors
·
Jan 21, 2019

pLSTM: parallelizable Linear Source Transition Mark networks

Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the line graph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time. pLSTMs tackle the vanishing/exploding activation/gradient problem for long distances in DAGs via two distinct modes: a directed propagation mode (P-mode) and a diffusive distribution mode (D-mode). To showcase the long-range capabilities of pLSTM, we introduce arrow-pointing extrapolation as a synthetic computer vision task that contains long-distance directional information. We demonstrate that pLSTMs generalize well to larger image sizes, whereas Transformers struggle to extrapolate. On established molecular graph and computer vision benchmarks, pLSTMs also show strong performance. Code and Datasets are available at: https://github.com/ml-jku/plstm_experiments.

  • 5 authors
·
Jun 13 2

Assessing Neural Network Representations During Training Using Noise-Resilient Diffusion Spectral Entropy

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

  • 9 authors
·
Dec 3, 2023

Learning to Normalize on the SPD Manifold under Bures-Wasserstein Geometry

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.

  • 5 authors
·
Apr 1

Towards Fine-Grained Text-to-3D Quality Assessment: A Benchmark and A Two-Stage Rank-Learning Metric

Recent advances in Text-to-3D (T23D) generative models have enabled the synthesis of diverse, high-fidelity 3D assets from textual prompts. However, existing challenges restrict the development of reliable T23D quality assessment (T23DQA). First, existing benchmarks are outdated, fragmented, and coarse-grained, making fine-grained metric training infeasible. Moreover, current objective metrics exhibit inherent design limitations, resulting in non-representative feature extraction and diminished metric robustness. To address these limitations, we introduce T23D-CompBench, a comprehensive benchmark for compositional T23D generation. We define five components with twelve sub-components for compositional prompts, which are used to generate 3,600 textured meshes from ten state-of-the-art generative models. A large-scale subjective experiment is conducted to collect 129,600 reliable human ratings across different perspectives. Based on T23D-CompBench, we further propose Rank2Score, an effective evaluator with two-stage training for T23DQA. Rank2Score enhances pairwise training via supervised contrastive regression and curriculum learning in the first stage, and subsequently refines predictions using mean opinion scores to achieve closer alignment with human judgments in the second stage. Extensive experiments and downstream applications demonstrate that Rank2Score consistently outperforms existing metrics across multiple dimensions and can additionally serve as a reward function to optimize generative models. The project is available at https://cbysjtu.github.io/Rank2Score/.

  • 5 authors
·
Sep 28

Efficient and robust approximate nearest neighbor search using Hierarchical Navigable Small World graphs

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

  • 2 authors
·
Mar 30, 2016

A Framework for Fast and Stable Representations of Multiparameter Persistent Homology Decompositions

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

Unsupervised Discovery of Formulas for Mathematical Constants

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

  • 6 authors
·
Dec 21, 2024

Hyperspherical embedding for novel class classification

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

  • 4 authors
·
Feb 5, 2021

Hypercube-Based Retrieval-Augmented Generation for Scientific Question-Answering

Large language models (LLMs) often need to incorporate external knowledge to solve theme-specific problems. Retrieval-augmented generation (RAG) has shown its high promise, empowering LLMs to generate more qualified responses with retrieved external data and knowledge. However, most RAG methods retrieve relevant documents based on either sparse or dense retrieval methods or their combinations, which overlooks the essential, multi-dimensional, and structured semantic information present in documents. This structured information plays a critical role in finding concise yet highly relevant information for domain knowledge-intensive tasks, such as scientific question-answering (QA). In this work, we introduce a multi-dimensional (cube) structure, Hypercube, which can index and allocate documents in a pre-defined multi-dimensional space. Built on the hypercube, we further propose Hypercube-RAG, a novel RAG framework for precise and efficient retrieval. Given a query, Hypercube-RAG first decomposes it based on its entities, phrases, and topics along with pre-defined hypercube dimensions, and then retrieves relevant documents from cubes by aligning these decomposed components with corresponding dimensions. Experiments on three datasets across different domains demonstrate that our method improves response accuracy by 3.7% and retrieval accuracy by 5.3% over the strongest RAG baseline. It also boosts retrieval efficiency (speed) by one or two magnitudes faster than graph-based RAG. Notably, our Hypercube-RAG inherently offers explainability by revealing those underlying dimensions used for retrieval. The code and data are available at https://github.com/JimengShi/Hypercube-RAG.

  • 8 authors
·
May 25

Diffeomorphic Mesh Deformation via Efficient Optimal Transport for Cortical Surface Reconstruction

Mesh deformation plays a pivotal role in many 3D vision tasks including dynamic simulations, rendering, and reconstruction. However, defining an efficient discrepancy between predicted and target meshes remains an open problem. A prevalent approach in current deep learning is the set-based approach which measures the discrepancy between two surfaces by comparing two randomly sampled point-clouds from the two meshes with Chamfer pseudo-distance. Nevertheless, the set-based approach still has limitations such as lacking a theoretical guarantee for choosing the number of points in sampled point-clouds, and the pseudo-metricity and the quadratic complexity of the Chamfer divergence. To address these issues, we propose a novel metric for learning mesh deformation. The metric is defined by sliced Wasserstein distance on meshes represented as probability measures that generalize the set-based approach. By leveraging probability measure space, we gain flexibility in encoding meshes using diverse forms of probability measures, such as continuous, empirical, and discrete measures via varifold representation. After having encoded probability measures, we can compare meshes by using the sliced Wasserstein distance which is an effective optimal transport distance with linear computational complexity and can provide a fast statistical rate for approximating the surface of meshes. To the end, we employ a neural ordinary differential equation (ODE) to deform the input surface into the target shape by modeling the trajectories of the points on the surface. Our experiments on cortical surface reconstruction demonstrate that our approach surpasses other competing methods in multiple datasets and metrics.

  • 6 authors
·
May 27, 2023

Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

  • 10 authors
·
Sep 30, 2021