论文检索

Deep Learning · Theory

Julia Nakhleh, Robert Nowak

Overparameterized neural networks can interpolate a given dataset in many different ways, prompting the fundamental question: which among these solutions should we prefer, and what explicit regularization strategies will provably yield these solutions? This paper addresses the challenge of finding the sparsest interpolating ReLU network—i.e., the network with the fewest nonzero parameters or neurons—a goal with wide-ranging implications for efficiency, generalization, interpretability, theory, and model compression. Unlike post hoc pruning approaches, we propose a continuous, almost-everywhere differentiable training objective whose global minima are guaranteed to correspond to the sparsest single-hidden-layer ReLU networks that fit the data. This result marks a conceptual advance: it recasts the combinatorial problem of sparse interpolation as a smooth optimization task, potentially enabling the use of gradient-based training methods. Our objective is based on minimizing $\ell^p$ quasinorms of the weights for $0 < p < 1$, a classical sparsity-promoting strategy in finite-dimensional settings. However, applying these ideas to neural networks presents new challenges: the function class is infinite-dimensional, and the weights are learned using a highly nonconvex objective. We prove that, under our formulation, global minimizers correspond exactly to sparsest solutions. Our work lays a foundation for understanding when and how continuous sparsity-inducing objectives can be leveraged to recover sparse networks through training.

Lele Fu, Tianchi Liao, Sheng Huang, Bowen Deng, zhangchuanfu, Shirui Pan, Chuan Chen

Federated graph learning (FGL) is a privacy-preserving paradigm for modeling distributed graph data, designed to train a powerful global graph neural network. Existing FGL methods predominantly rely on label information during training, effective FGL in an unsupervised setting remains largely unexplored territory. In this paper, we address two key challenges in unsupervised FGL: 1) Local models tend to converge in divergent directions due to the lack of shared semantic information across clients. Then, how to align representation spaces among multiple clients is the first challenge. 2) Conventional federated weighted aggregation easily results in degrading the performance of the global model, then which raises another challenge, namely how to adaptively learn the global model parameters. In response to the two questions, we propose a tailored framework named FedPAM, which is composed of two modules: Representation Space Alignment (RSA) and Adaptive Global Parameter Learning (AGPL). RSA leverages a set of learnable anchors to define the global representation space, then local subgraphs are aligned with them through the fused Gromov-Wasserstein optimal transport, achieving the representation space alignment across clients. AGPL stacks local model parameters into third-order tensors, and adaptively integrates the global model parameters in a low-rank tensor space, which facilitates to fuse the high-order knowledge among clients. Extensive experiments on eight graph datasets are conducted, the results demonstrate that the proposed FedPAM is superior over classical and SOTA compared methods.

Applications · Physics

Yuze Hao, Linchao Zhu, Yi Yang

Inverse design aims to design the input variables of a physical system to optimize a specified objective function, typically formulated as a search or optimization problem. However, in 3D domains, the design space grows exponentially, rendering exhaustive grid-based searches infeasible. Recent advances in deep learning have accelerated inverse design by providing powerful generative priors and differentiable surrogate models. Nevertheless, current methods tend to approximate the 3D design space using 2D projections or fine-tune existing 3D shapes. These approaches sacrifice volumetric detail and constrain design exploration, preventing true 3D design from scratch. In this paper, we propose a 3D Inverse Design (3DID) framework that directly navigates the 3D design space by coupling a continuous latent representation with a physics-aware optimization strategy. We first learn a unified physics–geometry embedding that compactly captures shape and physical field data in a continuous latent space. Then, we introduce a two-stage strategy to perform physics-aware optimization. In the first stage, a gradient-guided diffusion sampler explores the global latent manifold. In the second stage, an objectivedriven, topology-preserving refinement further sculpts each candidate toward the target objective. This enables 3DID to generate high-fidelity 3D geometries, outperforming existing methods in both solution quality and design versatility.

Amitava Das, Yaswanth Narsupalli, Gurpreet Singh, Vinija Jain, Vasu Sharma, Suranjana Trivedy, Aman Chadha, Amit Sheth

Precise alignment in Text-to-Image (T2I) systems is crucial for generating visuals that reflect user intent while adhering to ethical and policy standards. Recent controversies, such as the Google Gemini-generated Pope image backlash, highlight the urgent need for robust alignment mechanisms. Building on alignment successes in Large Language Models (LLMs), this paper introduces YinYangAlign, a benchmarking framework designed to evaluate and optimize T2I systems across six inherently contradictory objectives. These objectives highlight core trade-offs, such as balancing faithfulness to prompts with artistic freedom and maintaining cultural sensitivity without compromising creativity. Alongside this benchmark, we propose the Contradictory Alignment Optimization (CAO) framework, an extension of Direct Preference Optimization (DPO), which employs multi-objective optimization techniques to address these competing goals. By leveraging per-axiom loss functions, synergy-driven global preferences, and innovative tools like the Synergy Jacobian, CAO achieves superior alignment across all objectives. Experimental results demonstrate significant improvements in fidelity, diversity, and ethical adherence, setting new benchmarks for the field. This work provides a scalable, effective approach to resolving alignment challenges in T2I systems while offering insights into broader AI alignment paradigms.

Amitava Das, Suranjana Trivedy, Danush Khanna, Yaswanth Narsupalli, Basab Ghosh, Rajarshi Roy, Gurpreet Singh, Vinija Jain, Vasu Sharma, Aishwarya Naresh Reganti 等

The rapid advancement of large language models (LLMs) has revolutionized numerous applications, but presents significant challenges in aligning these models with diverse human values, ethical standards, and specific user preferences. Direct Preference Optimization (DPO) has become a cornerstone for preference alignment but is constrained by reliance on fixed divergence measures and limited feature transformations. We introduce DPO-Kernels, an innovative enhancement of DPO that integrates kernel methods to overcome these challenges through four key contributions: (i) Kernelized Representations: These representations enhance divergence measures by using polynomial, RBF, Mahalanobis, and spectral kernels for richer feature transformations. Additionally, we introduce a hybrid loss that combines embedding-based loss with probability-based loss; (ii) Divergence Alternatives: Beyond Kullback–Leibler (KL), we incorporate Jensen-Shannon, Hellinger, Rényi, Bhattacharyya, Wasserstein, and other f-divergences to boost stability and robustness; (iii) Data-Driven Selection: Choosing the optimal kernel-divergence pair among 28 combinations (4 kernels \times 7 divergences) is challenging. We introduce automatic metrics that analyze the data to select the best kernel-divergence pair, eliminating the need for manual tuning; (iv) Hierarchical Mixture of Kernels (HMK): Combining local and global kernels for precise and large-scale semantic modeling. This approach automatically selects the optimal kernel mixture during training, enhancing modeling flexibility. DPO-Kernels achieve state-of-the-art generalization in factuality, safety, reasoning, and instruction following across 12 datasets. While alignment risks overfitting, Heavy-Tailed Self-Regularization (HT-SR) theory confirms that DPO-Kernels ensure robust generalization in LLMs. Comprehensive resources are available to facilitate further research and application of DPO-Kernels.

Quanwei Tang, Sophia Yat Mei Lee, Junshuang Wu, Dong Zhang, Shoushan Li, Erik Cambria, Guodong Zhou

Recent advancements in retrieval-augmented generation (RAG) have enhanced large language models in question answering by integrating external knowledge. However, challenges persist in achieving global understanding and aligning responses with human ethical and quality preferences. To address these issues, we propose GraphMPA, a comprehensive graph-based framework with mode-seeking preference alignment. Our approach constructs a hierarchical document graph using a general similarity measurement, mimicking human cognitive processes for information understanding and synthesis. Additionally, we introduce mode-seeking preference optimization to better align model outputs with human preferences through probability-matching constraints. Extensive experiments on six datasets demonstrate the effectiveness of our GraphMPA.

Dingyu Yao, Bowen Shen, Zheng Lin, Wei Liu, Jian Luan, Bin Wang, Weiping Wang

The Key-Value (KV) cache in generative large language models (LLMs) introduces substantial memory overhead. Existing works mitigate this burden by offloading or compressing the KV cache. However, loading the entire cache incurs significant latency due to PCIe bandwidth bottlenecks in CPU-GPU communication, while aggressive compression causes notable performance degradation. We identify that certain layers in the LLM need to maintain global information and are unsuitable for selective loading. In contrast, other layers primarily focus on a few tokens with dominant activations that potentially incur substantial quantization error. This observation leads to a key insight that loading dominant tokens and quantizing all tokens can complement each other. Building on this insight, we propose a hybrid compression method, TailorKV, which seamlessly integrates quantization and offloading. TailorKV develops an inference framework along with a hardware-friendly implementation that leverages these complementary characteristics. Extensive long-context evaluations exhibit that TailorKV achieves nearly lossless performance under aggressive compression settings, outperforming the state-of-the-art. Particularly, the Llama-3.1-8B with 128k context can be served within a single RTX 3090 GPU, reaching 82 ms per token during decoding.

Xinzhe Zheng, Sijie Ji, Jiawei Sun, Renqi Chen, Wei Gao, Mani Srivastava

Mental health risk is a critical global public health challenge, necessitating innovative and reliable assessment methods. With the development of large language models (LLMs), they stand out to be a promising tool for explainable mental health care applications. Nevertheless, existing approaches predominantly rely on subjective textual mental records, which can be distorted by inherent mental uncertainties, leading to inconsistent and unreliable predictions. To address these limitations, this paper introduces ProMind-LLM. We investigate an innovative approach integrating objective behavior data as complementary information alongside subjective mental records for robust mental health risk assessment. Specifically, ProMind-LLM incorporates a comprehensive pipeline that includes domain-specific pretraining to tailor the LLM for mental health contexts, a self-refine mechanism to optimize the processing of numerical behavioral data, and causal chain-of-thought reasoning to enhance the reliability and interpretability of its predictions. Evaluations of two real-world datasets, PMData and Globem, demonstrate the effectiveness of our proposed methods, achieving substantial improvements over general LLMs. We anticipate that ProMind-LLM will pave the way for more dependable, interpretable, and scalable mental health case solutions.

Liancheng Fang, Aiwei Liu, Hengrui Zhang, Henry Peng Zou, Weizhi Zhang, Philip S. Yu

Large Language models (LLMs) have achieved encouraging results in tabular data generation. However, existing approaches require fine-tuning, which is computationally expensive. This paper explores an alternative: prompting a fixed LLM with in-context examples. We observe that using randomly selected in-context examples hampers the LLM’s performance, resulting in sub-optimal generation quality. To address this, we propose a novel in-context learning framework: TabGen-ICL, to enhance the in-context learning ability of LLMs for tabular data generation. TabGen-ICL operates iteratively, retrieving a subset of real samples that represent the residual between currently generated samples and true data distributions. This approach serves two purposes: locally, it provides more effective in-context learning examples for the LLM in each iteration; globally, it progressively narrows the gap between generated and real data. Extensive experiments on five real-world tabular datasets demonstrate that TabGen-ICL significantly outperforms the random selection strategy. Specifically, it reduces the error rate by a margin of up to 42.2% on the fidelity metric. We demonstrate for the first time that prompting a fixed LLM can yield high-quality synthetic tabular data.

Yue Cui, Liuyi Yao, Shuchang Tao, Weijie Shi, Yaliang Li, Bolin Ding, Xiaofang Zhou

Large language models (LLMs) have significantly advanced natural language processing, particularly through the integration of external tools and APIs. However, their effectiveness is frequently hampered by parameter mis-filling during tool calling. In this paper, we propose the Hierarchical Tool Error Checklist (HiTEC) framework to systematically diagnose and mitigate tool-calling errors without relying on extensive real-world interactions. HiTEC introduces a two-tiered approach: a global error checklist that identifies common, cross-tool issues, and a local error checklist that targets tool-specific and contextual failures. Building on this structure, we propose two deployments: HiTEC-In Context Learning (HiTEC-ICL) and HiTEC-Kahneman-Tversky Optimization (HiTEC-KTO). HiTEC-ICL embeds the global checklist in the initial prompts and leverages a two-round conversational interaction to dynamically refine parameter handling, while HiTEC-KTO generates high-quality negative examples to drive fine-tuning via preference-based optimization. Extensive experiments across five public datasets demonstrate that our framework significantly improves parameter-filling accuracy and tool-calling success rates compared to baseline methods.

Yue Gao, Jing Zhao, Shiliang Sun, Xiaosong Qiao, Tengfei Song, Hao Yang

Multimodal machine translation (MMT) integrates visual information to address ambiguity and contextual limitations in neural machine translation (NMT). Some empirical studies have revealed that many MMT models underutilize visual data during translation. They attempt to enhance cross-modal interactions to enable better exploitation of visual data. However, they only focus on simple interactions between nouns in text and corresponding entities in image, overlooking global semantic alignment, particularly for prepositional phrases and verbs in text which are more likely to be translated incorrectly. To address this, we design a Text-Image In-depth Questioning method to deepen interactions and optimize translations. Furthermore, to mitigate errors arising from contextually irrelevant image noise, we propose a Consistency Constraint strategy to improve our approach’s robustness. Our approach achieves state-of-the-art results on five translation directions of Multi30K and AmbigCaps, with +2.35 BLEU on the challenging MSCOCO benchmark, validating our method’s effectiveness in utilizing visual data and capturing comprehensive textual semantics.

Tu Vu, Manh Do, Tung Nguyen, Linh Ngo Van, Sang Dinh, Thien Huu Nguyen

Discovering topics and learning document representations in topic space are two crucial aspects of topic modeling, particularly in the short-text setting, where inferring topic proportions for individual documents is highly challenging. Despite significant progress in neural topic modeling, effectively distinguishing document representations as well as topic embeddings remains an open problem. In this paper, we propose a novel method called **En**hancing Global **C**lustering with **O**ptimal **T**ransport in Topic Modeling (EnCOT). Our approach utilizes an abstract global clusters concept to capture global information and then employs the Optimal Transport framework to align document representations in the topic space with global clusters, while also aligning global clusters with topics. This dual alignment not only enhances the separation of documents in the topic space but also facilitates learning of latent topics. Through extensive experiments, we demonstrate that our method outperforms state-of-the-art techniques in short-text topic modeling across commonly used metrics.

Bowen Ping, Jiali Zeng, Fandong Meng, Shuo Wang, Jie Zhou, Shanghang Zhang

Recent advancements in large language models (LLMs) have markedly improved their capacity to handle long text inputs; however, current models, including GPT-4o, still exhibit unsatisfactory performance in long-form generation. Generating high-quality long-form content still remains a significant challenge. In this paper, we present LongDPO, a novel approach designed to enhance long-form text generation through step-level supervision. By leveraging Monte Carlo Tree Search (MCTS) to collect stepwise preference pairs and employing a global memory pool to maintain factual accuracy, LongDPO effectively mitigates issues such as inconsistencies that are prevalent in long-context LLMs. Furthermore, we integrate critique-augmented generation to refine the selected preference pairs. Following the collection of stepwise preference pairs, we apply stepwise preference learning for fine-grained optimization. Experimental results demonstrate that our method enhances performance on long-form generation benchmarks (e.g. LongBench-Write) while maintaining nearly lossless performance on several general benchmarks.

Hani Alomari, Anushka Sivakumar, Andrew Zhang, Chris Thomas

Cross-modal image-text retrieval is challenging because of the diverse possible associations between content from different modalities. Traditional methods learn a single-vector embedding to represent semantics of each sample, but struggle to capture nuanced and diverse relationships that can exist across modalities. Set-based approaches, which represent each sample with multiple embeddings, offer a promising alternative, as they can capture richer and more diverse relationships. In this paper, we show that, despite their promise, these set-based representations continue to face issues including sparse supervision and set collapse, which limits their effectiveness. To address these challenges, we propose Maximal Pair Assignment Similarity to optimize one-to-one matching between embedding sets which preserve semantic diversity within the set. We also introduce two loss functions to further enhance the representations: Global Discriminative Loss to enhance distinction among embeddings, and Intra-Set Divergence Loss to prevent collapse within each set. Our method achieves state-of-the-art performance on MS-COCO and Flickr30k without relying on external data.

Xiaoqing Zhang, Ang Lv, Yuhan Liu, Flood Sung, Wei Liu, Jian Luan, Shuo Shang, Xiuying Chen, Rui Yan

Large language models (LLMs) excel at few-shot in-context learning (ICL) without requiring parameter updates. However, as ICL demonstrations increase from a few to many, performance tends to plateau and eventually decline. We identify two primary causes for this trend: the suboptimal negative log-likelihood (NLL) optimization objective and the incremental data noise. To address these issues, we introduce DrICL, a novel optimization method that enhances model performance through Differentiated and Reweighting objectives. Globally, DrICL utilizes differentiated learning to optimize the NLL objective, ensuring that many-shot performance surpasses zero-shot levels. Locally, it dynamically adjusts the weighting of many-shot demonstrations by leveraging cumulative advantages inspired by reinforcement learning, thereby mitigating the impact of noisy data.Recognizing the lack of multi-task datasets with diverse many-shot distributions, we develop the Many-Shot ICL Benchmark (ICL-50)-a large-scale benchmark of 50 tasks that cover shot numbers from 1 to 350 within sequences of up to 8,000 tokens-for both fine-tuning and evaluation purposes.Experimental results demonstrate that LLMs enhanced with DrICL achieve significant improvements in many-shot setups across various tasks, including both in-domain and out-of-domain scenarios.We release the code and dataset hoping to facilitate further research in many-shot ICL.

Wendi Cui, Jiaxin Zhang, Zhuohang Li, Hao Sun, Damien Lopez, Kamalika Das, Bradley A. Malin, Sricharan Kumar

Designing optimal prompts for Large Language Models (LLMs) is a complex and resource-intensive task, often requiring substantial human expertise. Existing approaches typically separate the optimization of prompt instructions and in-context learning examples, leading to incohesive, suboptimal results. To overcome this limitation, we propose a novel Cohesive In-Context Prompt Optimization framework that refines both prompt instructions and examples. In our formulation, coherence refers to the degree to which instructions and examples work synergistically to improve task performance—emerging as a byproduct of performance-driven optimization. However, formulating such an optimization in the discrete and high-dimensional space of natural language poses significant challenges in both convergence and computational efficiency. To address these issues, we introduce SEE, a scalable and efficient prompt optimization framework that adopts metaheuristic optimization principles and strategically balances exploration and exploitation to enhance optimization performance and achieve efficient convergence. SEE features a quad-phased design that alternates between global traversal (exploration) and local optimization (exploitation) and adaptively chooses LLM operators during the optimization process. We have conducted a comprehensive evaluation across 35 benchmark tasks, and SEE significantly outperforms state-of-the-art baseline methods by a large margin, achieving an average performance gain of **13.94** while reducing computational costs by **58.67%**.

Yuan Gao, Zujing Liu, Weizhong Zhang, Bo Du, Gui-Song Xia

Recent Large-Language Models (LLMs) pruning methods typically operate at the post-training phase without the expensive weight finetuning, however, their pruning criteria often rely on **heuristically hand-crafted metrics**, potentially leading to suboptimal performance. We instead propose a novel **optimization-based structural pruning** that learns the pruning masks in a probabilistic space directly by optimizing the loss of the pruned model. To preserve the efficiency, our method **eliminates the back-propagation** through the LLM *per se* during the optimization, requiring only **the forward pass of the LLM**. We achieve this by learning an underlying Bernoulli distribution to sample binary pruning masks, where we decouple the Bernoulli parameters from the LLM loss, thus facilitating an efficient optimization via *policy gradient estimator* without back-propagation. As a result, our method is able to 1) *support global and heterogeneous pruning* (*i.e.*, our method automatically determines different redundancy for different layers), and 2) *optionally initialize with a metric-based method* (for our Bernoulli distributions). Extensive experiments conducted on LLaMA, LLaMA-2, LLaMA-3, Vicuna, and Mistral models using the C4 and WikiText2 datasets demonstrate the promising performance of our method in efficiency and effectiveness.

Jingyang Yuan, Huazuo Gao, Damai Dai, Junyu Luo, Liang Zhao, Zhengyan Zhang, Zhenda Xie, Yuxing Wei, Lean Wang, Zhiping Xiao 等

Long-context modeling is crucial for next-generation language models, yet the high computational cost of standard attention mechanisms poses significant computational challenges. Sparse attention offers a promising direction for improving efficiency while maintaining model capabilities. We present NSA, a Natively trained Sparse Attention mechanism that integrates algorithmic innovations with hardware-aligned optimizations to achieve efficient long-context modeling. NSA employs a dynamic hierarchical sparse strategy, combining coarse-grained token compression with fine-grained token selection to preserve both global context awareness and local precision. Our approach advances sparse attention design with two key innovations: (1) We achieve substantial speedups through arithmetic intensity-balanced algorithm design, with implementation optimizations for modern hardware. (2) We enable end-to-end training, reducing pretraining computation without sacrificing model performance. As shown in Figure 1, experiments show the model pretrained with NSA maintains or exceeds Full Attention models across general benchmarks, long-context tasks, and instruction-based reasoning. Meanwhile, NSA achieves substantial speedups over Full Attention on 64k-length sequences across decoding, forward propagation, and backward propagation, validating its efficiency throughout the model lifecycle.

Yuhan Chen, Ang Lv, Jian Luan, Bin Wang, Wei Liu

Many positional encodings (PEs) are designed to exhibit long-term decay, based on an entrenched and long-standing inductive opinion: tokens farther away from the current position carry less relevant information. We argue that long-term decay is outdated in the era of LLMs, as LLMs are now applied to tasks demanding precise retrieval of in-context information from arbitrary positions. Firstly, we present empirical analyses on various PEs, demonstrating that models inherently learn attention with only a local-decay pattern while forming a U-shape pattern globally, contradicting the principle of long-term decay. Furthermore, we conduct a detailed analysis of rotary position encoding (RoPE, a prevalent relative positional encoding in LLMs), and found that the U-shape attention is caused by some learned components, which are also the key factor limiting RoPE’s expressiveness and extrapolation. Inspired by these insights, we propose High-frequency rotary Position Encoding (HoPE). HoPE replaces the specific components in RoPE with position-independent ones, retaining only high-frequency signals, which also breaks the principle of long-term decay in theory. HoPE achieves two major advantages: (1) Without constraints imposed by long-term decay, contradictory factors that limit attention optimization are removed. Thus, the model’s context awareness is enhanced. (2) HoPE exhibits greater robustness to the out-of-distribution behavior in attention patterns during extrapolation. The effectiveness of HoPE is validated through extensive experiments and with a large language model of up to 3 billion parameters.

Yunlong Liang, Fandong Meng, Jie Zhou

The sparse Mixture-of-Experts (MoE) has achieved significant progress for neural machine translation (NMT). However, there exist two limitations in current MoE solutions which may lead to sub-optimal performance: 1) they directly use the task knowledge of NMT into MoE (e.g., domain/linguistics-specific knowledge), which are generally unavailable at practical application and neglect the naturally grouped domain/linguistic properties; 2) the expert selection only depends on the localized token representation without considering the context, which fully grasps the state of each token in a global view. To address the above limitations, we propose THOR-MoE via arming the MoE with hierarchical task-guided and context-responsive routing policies. Specifically, it 1) firstly predicts the domain/language label and then extracts mixed domain/language representation to allocate task-level experts in a hierarchical manner; 2) injects the context information to enhance the token routing from the pre-selected task-level experts set, which can help each token to be accurately routed to more specialized and suitable experts. Extensive experiments on multi-domain translation and multilingual translation benchmarks with different architectures consistently demonstrate the superior performance of THOR-MoE. Additionally, the THOR-MoE operates as a plug-and-play module compatible with existing Top-(CITATION) or Top-(CITATION) routing schemes, ensuring broad applicability across diverse MoE architectures. For instance, compared with vanilla Top- (CITATION) routing, the context-aware manner can achieve an average improvement of 0.75 BLEU with less than 22% activated parameters on multi-domain translation tasks.