论文检索

Theory · Online Learning and Bandits

T-H. Hubert Chan, Shaofeng Jiang, Tianyi Wu, Mengshi Zhao

We give online algorithms for $k$-Means(more generally, $(k, z)$-Clustering) with nearly optimal consistency (a notion suggested by Lattanzi & Vassilvitskii (2017)). Our result turns any $\alpha$-approximate offline algorithm for clustering into an $(1+\epsilon)\alpha^2$-competitive online algorithm for clustering with $O(k \text{poly} \log n)$ consistency. This consistency bound is optimal up to $\text{poly} \log(n)$ factors. Plugging in the offline algorithm that returns the exact optimal solution, we obtain the first$(1 + \epsilon)$-competitive online algorithm for clustering that achieves a linear in $k$ consistency.This simultaneously improves several previous results (Lattanzi & Vassilvitskii, 2017; Fichtenberger et al., 2021). We validate the performance of our algorithm on real datasets by plugging in the practically efficient $k$-Means++ algorithm. Our online algorithm makes $k$-Means++ achieve good consistency with little overhead to the quality of solutions.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Yixuan Wang, Jonathan Siegel, Ziming Liu, Thomas Hou

Kolmogorov-Arnold Networks (KAN) \cite{liu2024kan} were very recently proposed as a potential alternative to the prevalent architectural backbone of many deep learning models, the multi-layer perceptron (MLP). KANs have seen success in various tasks of AI for science, with their empirical efficiency and accuracy demonstrated in function regression, PDE solving, and many more scientific problems. In this article, we revisit the comparison of KANs and MLPs, with emphasis on a theoretical perspective. On the one hand, we compare the representation and approximation capabilities of KANs and MLPs. We establish that MLPs can be represented using KANs of a comparable size. This shows that the approximation and representation capabilities of KANs are at least as good as MLPs. Conversely, we show that KANs can be represented using MLPs, but that in this representation the number of parameters increases by a factor of the KAN grid size. This suggests that KANs with a large grid size may be more efficient than MLPs at approximating certain functions. On the other hand, from the perspective of learning and optimization, we study the spectral bias of KANs compared with MLPs. We demonstrate that KANs are less biased toward low frequencies than MLPs. We highlight that the multi-level learning feature specific to KANs, i.e. grid extension of splines, improves the learning process for high-frequency components. Detailed comparisons with different choices of depth, width, and grid sizes of KANs are made, shedding some light on how to choose the hyperparameters in practice.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Ziming Liu, Yixuan Wang, Sachin Vaidya, Fabian Ruehle, James Halverson, Marin Soljacic, Thomas Hou, Max Tegmark

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons''), KANs have learnable activation functions on edges ("weights''). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability, on small-scale AI + Science tasks. For accuracy, smaller KANs can achieve comparable or better accuracy than larger MLPs in function fitting tasks. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful ``collaborators'' helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs. Despite the slow training of KANs, their improved accuracy and interpretability show the potential to improve today's deep learning models which rely heavily on MLPs. More research is necessary to make KANs' training more efficient.

Ziming Liu, Yixuan Wang, Sachin Vaidya, Fabian Ruehle, James Halverson, Marin Soljacic, Thomas Hou, Max Tegmark

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons''), KANs have learnable activation functions on edges ("weights''). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability, on small-scale AI + Science tasks. For accuracy, smaller KANs can achieve comparable or better accuracy than larger MLPs in function fitting tasks. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful ``collaborators'' helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs. Despite the slow training of KANs, their improved accuracy and interpretability show the potential to improve today's deep learning models which rely heavily on MLPs. More research is necessary to make KANs' training more efficient.

Deep Learning · Generative Models and Autoencoders

Junyi Chen, Di Huang, Weicai Ye, Wanli Ouyang, Tong He

Spatial intelligence is the ability of a machine to perceive, reason, and act in three dimensions within space and time.Recent advancements in large-scale auto-regressive models have demonstrated remarkable capabilities across various reasoning tasks. However, these models often struggle with fundamental aspects of spatial reasoning, particularly in answering questions like "Where am I?" and "What will I see?". While some attempts have been done, existing approaches typically treat them as separate tasks, failing to capture their interconnected nature. In this paper, we present **G**enerative **S**patial **T**ransformer (GST), a novel auto-regressive framework that jointly addresses spatial localization and view prediction. Our model simultaneously estimates the camera pose from a single image and predicts the view from a new camera pose, effectively bridging the gap between spatial awareness and visual prediction. The proposed innovative camera tokenization method enables the model to learn the joint distribution of 2D projections and their corresponding spatial perspectives in an auto-regressive manner. This unified training paradigm demonstrates that joint optimization of pose estimation and novel view synthesis leads to improved performance in both tasks, for the first time, highlighting the inherent relationship between spatial awareness and visual prediction.

Zimu Lu, Aojun Zhou, Ke Wang, Houxing Ren, Weikang Shi, Junting Pan, Mingjie Zhan, Hongsheng Li

Code has been shown to be effective in enhancing the mathematical reasoning abilities of large language models due to its precision and accuracy. Previous works involving continued mathematical pretraining often include code that utilizes math-related packages, which are primarily designed for fields such as engineering, machine learning, signal processing, or module testing, rather than being directly focused on mathematical reasoning. In this paper, we introduce a novel method for generating mathematical code accompanied with corresponding reasoning steps for continued pretraining. Our approach begins with the construction of a high-quality mathematical continued pretraining dataset by incorporating math-related web data, code using mathematical packages, math textbooks, and synthetic data. Next, we construct reasoning steps by extracting LaTeX expressions, the conditions needed for the expressions, and the results of the expressions from the previously collected dataset. Based on this extracted information, we generate corresponding code to accurately capture the mathematical reasoning process. Appending the generated code to each reasoning step results in data consisting of paired natural language reasoning steps and their corresponding code. Combining this data with the original dataset results in a 19.2B-token high-performing mathematical pretraining corpus, which we name MathCode-Pile. Training several popular base models with this corpus significantly improves their mathematical abilities, leading to the creation of the MathCoder2 family of models. All of our data processing and training code is open-sourced, ensuring full transparency and easy reproducibility of the entire data collection and training pipeline.

Applications · Genetics, Cell Biology, Health, etc

ZeMing Gong, Austin Wang, Xiaoliang Huo, Joakim Bruslund Haurum, Scott C Lowe, Graham W Taylor, Angel Chang

Measuring biodiversity is crucial for understanding ecosystem health. While prior works have developed machine learning models for taxonomic classification of photographic images and DNA separately, in this work, we introduce a multi-modal approach combining both, using CLIP-style contrastive learning to align images, barcode DNA, and text-based representations of taxonomic labels in a unified embedding space. This allows for accurate classification of both known and unknown insect species without task-specific fine-tuning, leveraging contrastive learning for the first time to fuse DNA and image data. Our method surpasses previous single-modality approaches in accuracy by over 8% on zero-shot learning tasks, showcasing its effectiveness in biodiversity studies.

Applications · Everything Else

Yunfei Teng, Yuxuan Ren, Kai Chen, Xi Chen, Zhaoming Chen, Qiwei Ye

Cryogenic electron tomography (Cryo-ET) is a powerful technique for visualizing subcellular structures in their native states. Nonetheless, its effectiveness is compromised by anisotropic resolution artifacts caused by the missing-wedge effect. To address this, IsoNet, a deep learning-based method, proposes iteratively reconstructing the missing-wedge information. While successful, IsoNet's dependence on recursive prediction updates often leads to training instability and model divergence. In this study, we introduce CryoGEN—an energy-based probabilistic model that not only mitigates resolution anisotropy but also removes the need for recursive subtomogram averaging, delivering an approximate *10*$\times$ speedup for training. Evaluations across various biological datasets, including immature HIV-1 virions and ribosomes, demonstrate that CryoGEN significantly enhances structural completeness and interpretability of the reconstructed samples.

Deep Learning · Large Language Models

Guanzheng Chen, Xin Li, Michael Qizhe Shieh, Lidong Bing

Large Language Models (LLMs) have demonstrated remarkable capabilities through pretraining and alignment. However, superior short-context LLMs may underperform in long-context scenarios due to insufficient long-context alignment. This alignment process remains challenging due to the impracticality of human annotation for extended contexts and the difficulty in balancing short- and long-context performance. To address these challenges, we introduce LongPO, that enables short-context LLMs to self-evolve to excel on long-context tasks by internally transferring short-context capabilities. LongPO harnesses LLMs to learn from self-generated short-to-long preference data, comprising paired responses generated for identical instructions with long-context inputs and their compressed short-context counterparts, respectively. This preference reveals capabilities and potentials of LLMs cultivated during short-context alignment that may be diminished in under-aligned long-context scenarios. Additionally, LongPO incorporates a short-to-long KL constraint to mitigate short-context performance decline during long-context alignment. When applied to Mistral-7B-Instruct-v0.2 from 128K to 512K context lengths, LongPO fully retains short-context performance and largely outperforms naive SFT and DPO in both long- and short-context tasks. Specifically, LongPO-trained models can achieve results on long-context benchmarks comparable to, or even surpassing, those of superior LLMs (e.g., GPT-4-128K) that involve extensive long-context annotation and larger parameter scales. Our code is available at https://github.com/DAMO-NLP-SG/LongPO.

Reinforcement Learning · Deep RL

Menglong Zhang, Fuyuan Qian, Quanying Liu

Meta-reinforcement learning requires utilizing prior task distribution information obtained during exploration to rapidly adapt to unknown tasks. The efficiency of an agent's exploration hinges on accurately identifying the current task. Recent Bayes-Adaptive Deep RL approaches often rely on reconstructing the environment's reward signal, which is challenging in sparse reward settings, leading to suboptimal exploitation. Inspired by bisimulation metrics, which robustly extracts behavioral similarity in continuous MDPs, we propose SimBelief—a novel meta-RL framework via measuring similarity of task belief in Bayes-Adaptive MDP (BAMDP). SimBelief effectively extracts common features of similar task distributions, enabling efficient task identification and exploration in sparse reward environments. We introduce latent task belief metric to learn the common structure of similar tasks and incorporate it into the real task belief. By learning the latent dynamics across task distributions, we connect shared latent task belief features with specific task features, facilitating rapid task identification and adaptation. Our method outperforms state-of-the-art baselines on sparse reward MuJoCo and panda-gym tasks.

Deep Learning · Theory

Muhammed Ildiz, Halil Gozeten, Ege Taga, Marco Mondelli, Samet Oymak

A growing number of machine learning scenarios rely on knowledge distillation where one uses the output of a surrogate model as labels to supervise the training of a target model. In this work, we provide a sharp characterization of this process for ridgeless, high-dimensional regression, under two settings: *(i)* model shift, where the surrogate model is arbitrary, and *(ii)* distribution shift, where the surrogate model is the solution of empirical risk minimization with out-of-distribution data. In both cases, we characterize the precise risk of the target model through non-asymptotic bounds in terms of sample size and data distribution under mild conditions. As a consequence, we identify the form of the optimal surrogate model, which reveals the benefits and limitations of discarding weak features in a data-dependent fashion. In the context of weak-to-strong (W2S) generalization, this has the interpretation that *(i)* W2S training, with the surrogate as the weak model, can provably outperform training with strong labels under the same data budget, but *(ii)* it is unable to improve the data scaling law. We validate our results on numerical experiments both on ridgeless regression and on neural network architectures.

Applications · Computer Vision

Minkyoung Cho, Yulong Cao, Jiachen Sun, Qingzhao Zhang, Marco Pavone, Jeong Joon Park, Heng Yang, Zhuoqing Mao

An important paradigm in 3D object detection is the use of multiple modalities to enhance accuracy in both normal and challenging conditions, particularly for long-tail scenarios. To address this, recent studies have explored two directions of adaptive approaches: MoE-based adaptive fusion, which struggles with uncertainties arising from distinct object configurations, and late fusion for output-level adaptive fusion, which relies on separate detection pipelines and limits comprehensive understanding. In this work, we introduce Cocoon, an object- and feature-level uncertainty-aware fusion framework. The key innovation lies in uncertainty quantification for heterogeneous representations, enabling fair comparison across modalities through the introduction of a feature aligner and a learnable surrogate ground truth, termed feature impression. We also define a training objective to ensure that their relationship provides a valid metric for uncertainty quantification. Cocoon consistently outperforms existing static and adaptive methods in both normal and challenging conditions, including those with natural and artificial corruptions. Furthermore, we show the validity and efficacy of our uncertainty metric across diverse datasets.

Michael Sander, Gabriel Peyré

Causal Transformers are trained to predict the next token for a given context. While it is widely accepted that self-attention is crucial for encoding the causal structure of sequences, the precise underlying mechanism behind this in-context autoregressive learning ability remains unclear. In this paper, we take a step towards understanding this phenomenon by studying the approximation ability of Transformers for next-token prediction. Specifically, we explore the capacity of causal Transformers to predict the next token $x_{t+1}$ given an autoregressive sequence $(x_1, \dots, x_t)$ as a prompt, where $ x_{t+1} = f(x_t) $, and $ f $ is a context-dependent function that varies with each sequence.On the theoretical side, we focus on specific instances, namely when $ f $ is linear or when $ (x_t)$ is periodic. We explicitly construct a Transformer (with linear, exponential, or softmax attention) that learns the mapping $f$ in-context through a causal kernel descent method. The causal kernel descent method we propose provably estimates $x_{t+1} $ based solely on past and current observations $ (x_1, \dots, x_t) $, with connections to the Kaczmarz algorithm in Hilbert spaces. We present experimental results that validate our theoretical findings and suggest their applicability to more general mappings $f$.

Deep Learning · Robustness

Xiaogeng Liu, Peiran Li, G. Edward Suh, Yevgeniy Vorobeychik, Zhuoqing Mao, Somesh Jha, Patrick McDaniel, Huan Sun, Bo Li, Chaowei Xiao

Jailbreak attacks serve as essential red-teaming tools, proactively assessing whether LLMs can behave responsibly and safely in adversarial environments. Despite diverse strategies (e.g., cipher, low-resource language, persuasions, and so on) that have been proposed and shown success, these strategies are still manually designed, limiting their scope and effectiveness as a red-teaming tool. In this paper, we propose AutoDAN-Turbo, a black-box jailbreak method that can automatically discover as many jailbreak strategies as possible from scratch, without any human intervention or predefined scopes (e.g., specified candidate strategies), and use them for red-teaming. As a result, AutoDAN-Turbo can significantly outperform baseline methods, achieving a 74.3% higher average attack success rate on public benchmarks. Notably, AutoDAN-Turbo achieves an 88.5 attack success rate on GPT-4-1106-turbo. In addition, AutoDAN-Turbo is a unified framework that can incorporate existing human-designed jailbreak strategies in a plug-and-play manner. By integrating human-designed strategies, AutoDAN-Turbo can even achieve a higher attack success rate of 93.4 on GPT-4-1106-turbo.

Deep Learning · Large Language Models

Siyuan Qi, Bangcheng Yang, Kailin Jiang, Xiaobo Wang, Jiaqi Li, Yifan Zhong, Yaodong Yang, Zilong Zheng

In scenarios where language models must incorporate new information efficiently without extensive retraining, traditional fine-tuning methods are prone to overfitting, degraded generalization, and unnatural language generation. To address these limitations, we introduce Consistent In-Context Editing (ICE), a novel approach leveraging the model's in-context learning capability to optimize towards a contextual distribution rather than a one-hot target. ICE introduces a simple yet effective optimization framework for the model to internalize new knowledge by aligning its output distributions with and without additional context. This method enhances the robustness and effectiveness of gradient-based tuning methods, preventing overfitting and preserving the model's integrity. We analyze ICE across four critical aspects of knowledge editing: accuracy, locality, generalization, and linguistic quality, demonstrating its advantages. Experimental results confirm the effectiveness of ICE and demonstrate its potential for continual editing, ensuring that the integrity of the model is preserved while updating information.

Deep Learning · Large Language Models

yuntao du, Kailin Jiang, Zhi Gao, Chenrui Shi, Zilong Zheng, Siyuan Qi, Qing Li

Knowledge editing techniques have emerged as essential tools for updating the factual knowledge of large language models (LLMs) and multimodal models (LMMs), allowing them to correct outdated or inaccurate information without retraining from scratch. However, existing benchmarks for multimodal knowledge editing primarily focus on entity-level knowledge represented as simple triplets, which fail to capture the complexity of real-world multimodal information. To address this issue, we introduce MMKE-Bench, a comprehensive **M**ulti**M**odal **K**nowledge **E**diting Benchmark, designed to evaluate the ability of LMMs to edit diverse visual knowledge in real-world scenarios. MMKE-Bench addresses these limitations by incorporating three types of editing tasks: visual entity editing, visual semantic editing, and user-specific editing. Besides, MMKE-Bench uses free-form natural language to represent and edit knowledge, offering a more flexible and effective format. The benchmark consists of 2,940 pieces of knowledge and 8,363 images across 33 broad categories, with evaluation questions automatically generated and human-verified. We assess five state-of-the-art knowledge editing methods on three prominent LMMs, revealing that no method excels across all criteria, and that visual and user-specific edits are particularly challenging. MMKE-Bench sets a new standard for evaluating the robustness of multimodal knowledge editing techniques, driving progress in this rapidly evolving field.

Theory · Online Learning and Bandits

Ishank Juneja, Carlee Joe-Wong, Osman Yagan

Multi-armed bandits (MAB) are commonly used in sequential online decision-making when the reward of each decision is an unknown random variable. In practice, however, the typical goal of maximizing total reward may be less important than minimizing the total cost of the decisions taken, subject to a reward constraint. For example, we may seek to make decisions that have at least the reward of a reference ``default'' decision. This problem was recently introduced in the Multi-Armed Bandits with Cost Subsidy (MAB-CS) framework. MAB-CS is broadly applicable to problem domains where a primary metric (cost) is constrained by a secondary metric (reward), and there is an inability to explicitly determine the trade-off between these metrics. In our work, we first introduce the Pairwise-Elimination algorithm for a simplified variant of the cost subsidy problem with a known reference arm. We then generalize PE to PE-CS to solve the MAB-CS problem in the setting where the reference arm is the un-identified optimal arm. Next, we analyze the performance of both PE and PE-CS on the dual metrics of Cost and Quality Regret. Our instance-dependent analysis of PE and PE-CS reveals that both algorithms have an order-wise logarithmic upper bound on Cost and Quality Regret, making our policy the first with such a guarantee. Finally, experiments are conducted using the MovieLens 25M dataset for both PE and PE-CS and using a synthetic toy experiment for PE-CS revealing that our method invariably outperforms the ETC-CS baseline from the literature.

Applications · Computer Vision

Wei LIN, Jia Wan, Antoni Chan

Crowd counting and localization involve extracting the number and distribution of crowds from images or videos using computer vision techniques. Most counting methods are based on density regression and are based on an ``intersection'' hypothesis, *i.e.*, one pixel is influenced by multiple points in the ground truth, which is inconsistent with reality since one pixel would not contain two objects. This paper proposes Proximal Mapping Loss (PML), a density regression method that eliminates this hypothesis. {PML} divides the predicted density map into multiple point-neighbor cases through the nearest neighbor, and then dynamically constructs a learning target for each sub-case via proximal mapping, leading to more robust and accurate training. {Furthermore}, PML is theoretically linked to various existing loss functions, such as Gaussian-blurred L2 loss, Bayesian loss, and the training schemes in P2PNet and DMC, demonstrating its versatility and adaptability. Experimentally, PML significantly improves the performance of crowd counting and localization, and illustrates the robustness against annotation noise. The code is available at [https://github.com/Elin24/pml](https://github.com/Elin24/pml).

Deep Learning · Large Language Models

Zhengbo Wang, Jian Liang, Ran He, Zilei Wang, Tieniu Tan

Low-rank adaptation, also known as LoRA, has emerged as a prominent method for parameter-efficient fine-tuning of foundation models.Despite its computational efficiency, LoRA still yields inferior performance compared to full fine-tuning.In this paper, we first uncover a fundamental connection between the optimization processes of LoRA and full fine-tuning: using LoRA for optimization is mathematically equivalent to full fine-tuning using a low-rank gradient for parameter updates.And this low-rank gradient can be expressed in terms of the gradients of the two low-rank matrices in LoRA.Leveraging this insight, we introduce LoRA-Pro, a method that enhances LoRA's performance by strategically adjusting the gradients of these low-rank matrices.This adjustment allows the low-rank gradient to more accurately approximate the full fine-tuning gradient, thereby narrowing the performance gap between LoRA and full fine-tuning.Furthermore, we theoretically derive the optimal solutions for adjusting the gradients of the low-rank matrices, applying them during fine-tuning in LoRA-Pro.We conduct extensive experiments across natural language understanding, dialogue generation, mathematical reasoning, code generation, and image classification tasks, demonstrating that LoRA-Pro substantially improves LoRA's performance, effectively narrowing the gap with full fine-tuning.Our code is publicly available at https://github.com/mrflogs/LoRA-Pro.

Applications · Neuroscience, Cognitive Science

Tianfang Zhu, Dongli Hu, Jiandong Zhou, Kai Du, Anan LI

The brain's ability to transform sensory inputs into motor functions is central to neuroscience and crucial for the development of embodied intelligence. Sensory-motor integration involves complex neural circuits, diverse neuronal types, and intricate intercellular connections. Bridging the gap between biological realism and behavioral functionality presents a formidable challenge. In this study, we focus on the columnar structure of the superficial layers of mouse barrel cortex as a model system. We constructed a model comprising 4,218 neurons across 13 neuronal subtypes, with neural distribution and connection strengths constrained by anatomical experimental findings. A key innovation of our work is the development of an effective construction and training pipeline tailored for this biologically constrained model. Additionally, we converted an existing simulated whisker sweep dataset into a spiking-based format, enabling our network to be trained and tested on neural signals that more closely mimic those observed in biological systems. The results of object discrimination utilizing whisker signals demonstrate that our barrel cortex model, grounded in biological constraints, achieves a classification accuracy exceeds classical convolutional neural networks (CNNs), recurrent neural networks (RNNs), and long short-term memory networks (LSTMs), by an average of 8.6%, and is on par with recent spiking neural networks (SNNs) in performance. Interestingly, a whisker deprivation experiment, designed in accordance with neuroscience practices, further validates the perceptual capabilities of our model in behavioral tasks.Critically, it offers significant biological interpretability: post-training analysis reveals that neurons within our model exhibit firing characteristics and distribution patterns similar to those observed in the actual neuronal systems of the barrel cortex. This study advances our understanding of neural processing in the barrel cortex and exemplifies how integrating detailed biological structures into neural network models can enhance both scientific inquiry and artificial intelligence applications. The code is available at https://github.com/fun0515/RSNN_bfd.