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 Deep Learning


On the Emergence of Weak-to-Strong Generalization: A Bias-Variance Perspective

arXiv.org Artificial Intelligence

Weak-to-strong generalization (W2SG) refers to the phenomenon where a strong student model, trained on a dataset labeled by a weak teacher, ultimately outperforms the teacher on the target task. Recent studies attribute this performance gain to the prediction misfit between the student and teacher models. In this work, we theoretically investigate the emergence of W2SG through a generalized bias-variance decomposition of Bregman divergence. Specifically, we show that the expected population risk gap between the student and teacher is quantified by the expected misfit between the two models. While this aligns with previous results, our analysis removes several restrictive assumptions, most notably, the convexity of the student's hypothesis class, required in earlier works. Moreover, we show that W2SG is more likely to emerge when the student model approximates its posterior mean teacher, rather than mimicking an individual teacher. Using a concrete example, we demonstrate that if the student model size is sufficiently large, it can indeed converge to the posterior mean teacher in expectation. Our analysis also suggests that avoiding overfitting to the teacher's supervision and reducing the entropy of student's prediction further facilitate W2SG. In addition, we show that the reverse cross-entropy loss, unlike the standard forward cross-entropy, is less sensitive to the predictive uncertainty of the teacher. Finally, we empirically verify our theoretical insights and demonstrate that incorporating the reverse cross-entropy loss consistently improves student performance.


Continuous Chain of Thought Enables Parallel Exploration and Reasoning

arXiv.org Artificial Intelligence

Modern language models generate chain-of-thought traces by autoregressively sampling tokens from a finite vocabulary. While this discrete sampling has achieved remarkable success, conducting chain-of-thought with continuously-valued tokens (CoT2) offers a richer and more expressive alternative. Our work provides new theoretical guarantees and algorithms for CoT2, motivated by logical reasoning tasks that inherently require search capabilities. Theoretically, we establish how CoT2 facilitates the model to track multiple discrete traces in parallel; and quantify the level of achievable parallelism and its benefits for inference efficiency. We also provide a CoT2-based one-layer transformer construction that solves the combinatorial "subset sum problem" given a sufficient embedding dimension. These insights arise from a novel and effective supervision strategy where we match the language model outputs to the empirical token distributions of a set of target traces. Complementing this, we introduce sampling strategies that unlock policy optimization methods for CoT2. Our primary strategy samples and composes $K$ discrete tokens at each decoding step to control the level of parallelism. Experiments confirm that (i) the optimal level of parallelism is governed by the embedding dimension, (ii) our continuous supervision strategy can outperform alternative methods, and (iii) policy optimization with CoT2 indeed improves the performance of the model beyond its initial discrete or continuous supervision.


Efficient AllReduce with Stragglers

arXiv.org Artificial Intelligence

Distributed machine learning workloads use data and tensor parallelism for training and inference, both of which rely on the AllReduce collective to synchronize gradients or activations. However, AllReduce algorithms are delayed by the slowest GPU to reach the synchronization barrier before the collective (i.e., the straggler). To address this challenge, we propose StragglAR: a parallel algorithm for AllReduce that accelerates distributed training and inference by exploiting natural variation in GPU execution times. StragglAR implements a ReduceScatter among the remaining GPUs during the straggler-induced delay, and then executes a novel collective algorithm to complete the AllReduce once the final GPU reaches the synchronization barrier. StragglAR achieves a 2x theoretical speedup over popular bandwidth-efficient algorithms for large GPU clusters, surpassing the lower bound for bandwidth-optimal synchronous AllReduce by leveraging the asymmetry in when GPUs reach the synchronization barrier. On an 8-GPU server, StragglAR provides a 25% speedup over state-of-the-art AllReduce algorithms.


Equivariant Spherical Transformer for Efficient Molecular Modeling

arXiv.org Artificial Intelligence

Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, their message passing, heavily relying on Clebsch-Gordan tensor product convolutions, suffers from restricted expressiveness due to the limited non-linearity and low degree of group representations. To overcome this, we introduce the Equivariant Spherical Transformer (EST), a novel plug-and-play framework that applies a Transformer-like architecture to the Fourier spatial domain of group representations. EST achieves higher expressiveness than conventional models while preserving the crucial equivariant inductive bias through a uniform sampling strategy of spherical Fourier transforms. As demonstrated by our experiments on challenging benchmarks like OC20 and QM9, EST-based models achieve state-of-the-art performance. For the complex molecular systems within OC20, small models empowered by EST can outperform some larger models and those using additional data. In addition to demonstrating such strong expressiveness,we provide both theoretical and experimental validation of EST's equivariance as well, paving the way for new research in this area.


Pearl: A Multimodal Culturally-Aware Arabic Instruction Dataset

arXiv.org Artificial Intelligence

Mainstream large vision-language models (LVLMs) inherently encode cultural biases, highlighting the need for diverse multimodal datasets. To address this gap, we introduce PEARL, a large-scale Arabic multimodal dataset and benchmark explicitly designed for cultural understanding. Constructed through advanced agentic workflows and extensive human-in-the-loop annotations by 37 annotators from across the Arab world, PEARL comprises over 309K multimodal examples spanning ten culturally significant domains covering all Arab countries. We further provide two robust evaluation benchmarks (PEARL and PEARL-LITE) along with a specialized subset (PEARL-X) explicitly developed to assess nuanced cultural variations. Comprehensive evaluations on state-of-the-art open and proprietary LVLMs demonstrate that reasoning-centric instruction alignment substantially improves models' cultural grounding compared to conventional scaling methods. PEARL establishes a foundational resource for advancing culturally-informed multimodal modeling research. All datasets and benchmarks are publicly available.


Cross-modal RAG: Sub-dimensional Text-to-Image Retrieval-Augmented Generation

arXiv.org Artificial Intelligence

Text-to-image generation increasingly demands access to domain-specific, fine-grained, and rapidly evolving knowledge that pretrained models cannot fully capture, necessitating the integration of retrieval methods. Existing Retrieval-Augmented Generation (RAG) methods attempt to address this by retrieving globally relevant images, but they fail when no single image contains all desired elements from a complex user query. We propose Cross-modal RAG, a novel framework that decomposes both queries and images into sub-dimensional components, enabling subquery-aware retrieval and generation. Our method introduces a hybrid retrieval strategy - combining a sub-dimensional sparse retriever with a dense retriever - to identify a Pareto-optimal set of images, each contributing complementary aspects of the query. During generation, a multimodal large language model is guided to selectively condition on relevant visual features aligned to specific subqueries, ensuring subquery-aware image synthesis. Extensive experiments on MS-COCO, Flickr30K, WikiArt, CUB, and ImageNet-LT demonstrate that Cross-modal RAG significantly outperforms existing baselines in the retrieval and further contributes to generation quality, while maintaining high efficiency.


Long Context Scaling: Divide and Conquer via Multi-Agent Question-driven Collaboration

arXiv.org Artificial Intelligence

Processing long contexts has become a critical capability for modern large language models (LLMs). Existing works leverage agent-based divide-and-conquer methods for processing long contexts. But these methods face crucial limitations, including prohibitive accumulated latency and amplified information loss from excessive agent invocations, and the disruption of inherent textual dependencies by immoderate partitioning. In this paper, we propose a novel multi-agent framework XpandA (Expand-Agent) coupled with question-driven workflow and dynamic partitioning for robust long-context processing. XpandA overcomes these limitations through: 1) dynamic partitioning of long texts, which adaptively modulates the filling rate of context windows for input sequences of vastly varying lengths; 2) question-guided protocol to update flat information ensembles within centralized shared memory, constructing consistent inter-agent knowledge across partitions; and 3) selectively replaying specific partitions based on the state-tracking of question-information couples to promote the resolution of inverted-order structures across partitions (e.g., flashbacks). We perform a comprehensive evaluation of XpandA on multiple long-context benchmarks with length varying from 1k to 1M, demonstrating XpandA's feasibility for processing ultra-long sequences and its significant effectiveness in enhancing the long-context capabilities of various LLMs by achieving 20\% improvements and 1.5x inference speedup over baselines of full-context, RAG and previous agent-based methods.


PDFBench: A Benchmark for De novo Protein Design from Function

arXiv.org Artificial Intelligence

Function-guided protein design is a crucial task with significant applications in drug discovery and enzyme engineering. However, the field lacks a unified and comprehensive evaluation framework. Current models are assessed using inconsistent and limited subsets of metrics, which prevents fair comparison and a clear understanding of the relationships between different evaluation criteria. To address this gap, we introduce PDFBench, the first comprehensive benchmark for function-guided denovo protein design. Our benchmark systematically evaluates eight state-of-the-art models on 16 metrics across two key settings: description-guided design, for which we repurpose the Mol-Instructions dataset, originally lacking quantitative benchmarking, and keyword-guided design, for which we introduce a new test set, SwissTest, created with a strict datetime cutoff to ensure data integrity. By benchmarking across a wide array of metrics and analyzing their correlations, PDFBench enables more reliable model comparisons and provides key insights to guide future research.


MineAnyBuild: Benchmarking Spatial Planning for Open-world AI Agents

arXiv.org Artificial Intelligence

Spatial Planning is a crucial part in the field of spatial intelligence, which requires the understanding and planning about object arrangements in space perspective. AI agents with the spatial planning ability can better adapt to various real-world applications, including robotic manipulation, automatic assembly, urban planning etc. Recent works have attempted to construct benchmarks for evaluating the spatial intelligence of Multimodal Large Language Models (MLLMs). Nevertheless, these benchmarks primarily focus on spatial reasoning based on typical Visual Question-Answering (VQA) forms, which suffers from the gap between abstract spatial understanding and concrete task execution. In this work, we take a step further to build a comprehensive benchmark called MineAnyBuild, aiming to evaluate the spatial planning ability of open-world AI agents in the Minecraft game. Specifically, MineAnyBuild requires an agent to generate executable architecture building plans based on the given multi-modal human instructions. It involves 4,000 curated spatial planning tasks and also provides a paradigm for infinitely expandable data collection by utilizing rich player-generated content. MineAnyBuild evaluates spatial planning through four core supporting dimensions: spatial understanding, spatial reasoning, creativity, and spatial commonsense. Based on MineAnyBuild, we perform a comprehensive evaluation for existing MLLM-based agents, revealing the severe limitations but enormous potential in their spatial planning abilities. We believe our MineAnyBuild will open new avenues for the evaluation of spatial intelligence and help promote further development for open-world AI agents capable of spatial planning.


PoliCon: Evaluating LLMs on Achieving Diverse Political Consensus Objectives

arXiv.org Artificial Intelligence

Achieving political consensus is crucial yet challenging for the effective functioning of social governance. However, although frontier AI systems represented by large language models (LLMs) have developed rapidly in recent years, their capabilities in this scope are still understudied. In this paper, we introduce PoliCon, a novel benchmark constructed from 2,225 high-quality deliberation records of the European Parliament over 13 years, ranging from 2009 to 2022, to evaluate the ability of LLMs to draft consensus resolutions based on divergent party positions under varying collective decision-making contexts and political requirements. Specifically, PoliCon incorporates four factors to build each task environment for finding different political consensus: specific political issues, political goals, participating parties, and power structures based on seat distribution. We also developed an evaluation framework based on social choice theory for PoliCon, which simulates the real voting outcomes of different political parties to assess whether LLM-generated resolutions meet the requirements of the predetermined political consensus. Our experimental results demonstrate that even state-of-the-art models remain undersatisfied with complex tasks like passing resolutions by a two-thirds majority and addressing security issues, while uncovering their inherent partisan biases and revealing some behaviors LLMs show to achieve the consensus, such as prioritizing the stance of the dominant party instead of uniting smaller parties, which highlights PoliCon's promise as an effective platform for studying LLMs' ability to promote political consensus.