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Interpretability

David Rügamer, Bernard Liew, Zainab Altai, Almond Stöcker

Semi-structured networks (SSNs) merge the structures familiar from additive models with deep neural networks, allowing the modeling of interpretable partial feature effects while capturing higher-order non-linearities at the same time. A significant challenge in this integration is maintaining the interpretability of the additive model component. Inspired by large-scale biomechanics datasets, this paper explores extending SSNs to functional data. Existing methods in functional data analysis are promising but often not expressive enough to account for all interactions and non-linearities and do not scale well to large datasets. Although the SSN approach presents a compelling potential solution, its adaptation to functional data remains complex. In this work, we propose a functional SSN method that retains the advantageous properties of classical functional regression approaches while also improving scalability. Our numerical experiments demonstrate that this approach accurately recovers underlying signals, enhances predictive performance, and performs favorably compared to competing methods.

Zhaokun Zhou, Yijie Lu, Yanhao Jia, Kaiwei Che, Jun Niu, Liwei Huang, Xinyu Shi, Yuesheng Zhu, Guoqi Li, Zhaofei Yu 等

Spiking Neural Networks (SNNs) provide a sparse spike-driven mechanism which is believed to be critical for energy-efficient deep learning. Mixture-of-Experts (MoE), on the other side, aligns with the brain mechanism of distributed and sparse processing, resulting in an efficient way of enhancing model capacity and conditional computation. In this work, we consider how to incorporate SNNs’ spike-driven and MoE’s conditional computation into a unified framework. However, MoE uses softmax to get the dense conditional weights for each expert and TopK to hard-sparsify the network, which does not fit the properties of SNNs. To address this issue, we reformulate MoE in SNNs and introduce the Spiking Experts Mixture Mechanism (SEMM) from the perspective of sparse spiking activation. Both the experts and the router output spiking sequences, and their element-wise operation makes SEMM computation spike-driven and dynamic sparse-conditional. By developing SEMM into Spiking Transformer, the Experts Mixture Spiking Attention (EMSA) and the Experts Mixture Spiking Perceptron (EMSP) are proposed, which performs routing allocation for head-wise and channel-wise spiking experts, respectively. Experiments show that SEMM realizes sparse conditional computation and obtains a stable improvement on neuromorphic and static datasets with approximate computational overhead based on the Spiking Transformer baselines.

Zhe Zhao, HaiBin Wen, Zikang Wang, Pengkun Wang, Fanfu Wang, Song Lai, Qingfu Zhang, Yang Wang

Traditional long-tailed learning methods often perform poorly when dealing with inconsistencies between training and test data distributions, and they cannot flexibly adapt to different user preferences for trade-offs between head and tail classes. To address this issue, we propose a novel long-tailed learning paradigm that aims to tackle distribution shift in real-world scenarios and accommodate different user preferences for the trade-off between head and tail classes. We generate a set of diverse expert models via hypernetworks to cover all possible distribution scenarios, and optimize the model ensemble to adapt to any test distribution. Crucially, in any distribution scenario, we can flexibly output a dedicated model solution that matches the user's preference. Extensive experiments demonstrate that our method not only achieves higher performance ceilings but also effectively overcomes distribution shift while allowing controllable adjustments according to user preferences. We provide new insights and a paradigm for the long-tailed learning problem, greatly expanding its applicability in practical scenarios. The code can be found here: https://github.com/DataLab-atom/PRL.

Yu Lu, Yuanzhi Liang, Linchao Zhu, Yi Yang

Video diffusion models have made substantial progress in various video generation applications. However, training models for long video generation tasks require significant computational and data resources, posing a challenge to developing long video diffusion models.This paper investigates a straightforward and training-free approach to extend an existing short video diffusion model (e.g. pre-trained on 16-frame videos) for consistent long video generation (e.g. 128 frames). Our preliminary observation has found that directly applying the short video diffusion model to generate long videos can lead to severe video quality degradation. Further investigation reveals that this degradation is primarily due to the distortion of high-frequency components in long videos, characterized by a decrease in spatial high-frequency components and an increase in temporal high-frequency components. Motivated by this, we propose a novel solution named FreeLong to balance the frequency distribution of long video features during the denoising process. FreeLong blends the low-frequency components of global video features, which encapsulate the entire video sequence, with the high-frequency components of local video features that focus on shorter subsequences of frames. This approach maintains global consistency while incorporating diverse and high-quality spatiotemporal details from local videos, enhancing both the consistency and fidelity of long video generation. We evaluated FreeLong on multiple base video diffusion models and observed significant improvements. Additionally, our method supports coherent multi-prompt generation, ensuring both visual coherence and seamless transitions between scenes. Our project page is at: https://yulu.net.cn/freelong.

Miscellaneous Aspects of Machine Learning · General Machine Learning Techniques

Samuel Holt, Zhaozhi Qian, Tennison Liu, Jim Weatherall, Mihaela van der Schaar

The discovery of dynamical systems is crucial across a range of fields, including pharmacology, epidemiology, and physical sciences. *Accurate* and *interpretable* modeling of these systems is essential for understanding complex temporal processes, optimizing interventions, and minimizing adverse effects. In pharmacology, for example, precise modeling of drug dynamics is vital to maximize therapeutic efficacy while minimizing patient harm, as in chemotherapy. However, current models, often developed by human experts, are limited by high cost, lack of scalability, and restriction to existing human knowledge. In this paper, we present the **Data-Driven Discovery (D3)** framework, a novel approach leveraging Large Language Models (LLMs) to iteratively discover and refine interpretable models of dynamical systems, demonstrated here with pharmacological applications. Unlike traditional methods, D3 enables the LLM to propose, acquire, and integrate new features, validate, and compare dynamical systems models, uncovering new insights into pharmacokinetics. Experiments on a pharmacokinetic Warfarin dataset reveal that D3 identifies a new plausible model that is well-fitting, highlighting its potential for precision dosing in clinical applications.

Multimodal Models

Leyang Shen, Gongwei Chen, Rui Shao, Weili Guan, Liqiang Nie

Multimodal large language models (MLLMs) have demonstrated impressive capabilities across various vision-language tasks. However, a generalist MLLM typically underperforms compared with a specialist MLLM on most VL tasks, which can be attributed to task interference. In this paper, we propose a mixture of multimodal experts (MoME) to mitigate task interference and obtain a generalist MLLM. Our MoME is composed of two key components, a mixture of vision experts (MoVE) and a mixture of language experts (MoLE). MoVE can adaptively modulate the features transformed from various vision encoders, and has a strong compatibility in transformation architecture. MoLE incorporates sparsely gated experts into LLMs to achieve painless improvements with roughly unchanged inference costs. In response to task interference, our MoME specializes in both vision and language modality to adapt to task discrepancies. Extensive experiments show that MoME significantly improves the performance of generalist MLLMs across various VL tasks.

Xiao Guo, Vishal Asnani, Sijia Liu, Xiaoming Liu

\textit{Model Parsing} defines the task of predicting hyperparameters of the generative model (GM), given a GM-generated image as the input. Since a diverse set of hyperparameters is jointly employed by the generative model, and dependencies often exist among them, it is crucial to learn these hyperparameter dependencies for improving the model parsing performance. To explore such important dependencies, we propose a novel model parsing method called Learnable Graph Pooling Network (LGPN), in which we formulate model parsing as a graph node classification problem, using graph nodes and edges to represent hyperparameters and their dependencies, respectively. Furthermore, LGPN incorporates a learnable pooling-unpooling mechanism tailored to model parsing, which adaptively learns hyperparameter dependencies of GMs used to generate the input image. Also, we introduce a Generation Trace Capturing Network (GTC) that can efficiently identify generation traces of input images, enhancing the understanding of generated images' provenances.Empirically, we achieve state-of-the-art performance in model parsing and its extended applications, showing the superiority of the proposed LGPN.

Computational Biology

Xiangxin Zhou, Jiaqi Guan, Yijia Zhang, Xingang Peng, Liang Wang, Jianzhu Ma

Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success that deep generative models have achieved in structure-based drug design in recent years, we formulate dual-target drug design as a generative task and curate a novel dataset of potential target pairs based on synergistic drug combinations. We propose to design dual-target drugs with diffusion models that are trained on single-target protein-ligand complex pairs. Specifically, we align two pockets in 3D space with protein-ligand binding priors and build two complex graphs with shared ligand nodes for SE(3)-equivariant composed message passing, based on which we derive a composed drift in both 3D and categorical probability space in the generative process. Our algorithm can well transfer the knowledge gained in single-target pretraining to dual-target scenarios in a zero-shot manner. We also repurpose linker design methods as strong baselines for this task. Extensive experiments demonstrate the effectiveness of our method compared with various baselines.

Optimization · Learning for Optimization

Jianan Zhou, Yaoxin Wu, Zhiguang Cao, Wen Song, Jie Zhang, Zhiqi Shen

Despite enjoying desirable efficiency and reduced reliance on domain expertise, existing neural methods for vehicle routing problems (VRPs) suffer from severe robustness issues — their performance significantly deteriorates on clean instances with crafted perturbations. To enhance robustness, we propose an ensemble-based *Collaborative Neural Framework (CNF)* w.r.t. the defense of neural VRP methods, which is crucial yet underexplored in the literature. Given a neural VRP method, we adversarially train multiple models in a collaborative manner to synergistically promote robustness against attacks, while boosting standard generalization on clean instances. A neural router is designed to adeptly distribute training instances among models, enhancing overall load balancing and collaborative efficacy. Extensive experiments verify the effectiveness and versatility of CNF in defending against various attacks across different neural VRP methods. Notably, our approach also achieves impressive out-of-distribution generalization on benchmark instances.

Computer Vision

Jieren Deng, Haojian Zhang, Kun Ding, Jianhua Hu, Xingxuan Zhang, Yunkuan Wang

This paper presents Incremental Vision-Language Object Detection (IVLOD), a novel learning task designed to incrementally adapt pre-trained Vision-Language Object Detection Models (VLODMs) to various specialized domains, while simultaneously preserving their zero-shot generalization capabilities for the generalized domain. To address this new challenge, we present the Zero-interference Reparameterizable Adaptation (ZiRa), a novel method that introduces Zero-interference Loss and reparameterization techniques to tackle IVLOD without incurring a significant increase in memory usage. Comprehensive experiments on COCO and ODinW-13 datasets demonstrate that ZiRa effectively safeguards the zero-shot generalization ability of VLODMs while continuously adapting to new tasks. Specifically, after training on ODinW-13 datasets, ZiRa exhibits superior performance compared to CL-DETR and iDETR, boosting zero-shot generalizability by substantial $\textbf{13.91}$ and $\textbf{8.74}$ AP, respectively. Our code is available at https://github.com/JarintotionDin/ZiRaGroundingDINO.

Language · Generation

Junkang Wu, Yuexiang Xie, Zhengyi Yang, Jiancan Wu, Jinyang Gao, Bolin Ding, Xiang Wang, Xiangnan He

Direct Preference Optimization (DPO) has emerged as a compelling approach for training Large Language Models (LLMs) to adhere to human preferences. However, the performance of DPO is sensitive to the fine-tuning of its trade-off parameter $\beta$, as well as to the quality of the preference data. We analyze the impact of $\beta$ and data quality on DPO, uncovering that optimal $\beta$ values vary with the informativeness of pairwise data. Addressing the limitations of static $\beta$ values, we introduce a novel framework that dynamically calibrates $\beta$ at the batch level, informed by data quality considerations. Additionally, our method incorporates $\beta$-guided data filtering to safeguard against the influence of outliers. Through empirical evaluation, we demonstrate that our dynamic $\beta$ adjustment technique significantly improves DPO’s performance across a range of models and datasets, offering a more robust and adaptable training paradigm for aligning LLMs with human feedback. The code is available at \url{https://anonymous.4open.science/r/beta-DPO-EE6C}.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Jin-Hong Du, Pratik Patil

We study the implicit regularization effects induced by (observation) weighting of pretrained features.For weight and feature matrices of bounded operator norms that are infinitesimally free with respect to (normalized) trace functionals, we derive equivalence paths connecting different weighting matrices and ridge regularization levels.Specifically, we show that ridge estimators trained on weighted features along the same path are asymptotically equivalent when evaluated against test vectors of bounded norms.These paths can be interpreted as matching the effective degrees of freedom of ridge estimators fitted with weighted features.For the special case of subsampling without replacement, our results apply to independently sampled random features and kernel features and confirm recent conjectures (Conjectures 7 and 8) of the authors on the existence of such paths in Patil and Du (2023).We also present an additive risk decomposition for ensembles of weighted estimators and show that the risks are equivalent along the paths when the ensemble size goes to infinity.As a practical consequence of the path equivalences, we develop an efficient cross-validation method for tuning and apply it to subsampled pretrained representations across several models (e.g., ResNet-50) and datasets (e.g., CIFAR-100).

Trustworthy Machine Learning

Yijun Liu, Jiequan Cui, Zhuotao Tian, Senqiao Yang, Qingdong He, Xiaoling Wang, Jingyong Su

Deep neural networks (DNNs) often suffer from the overconfidence issue, where incorrect predictions are made with high confidence scores, hindering the applications in critical systems. In this paper, we propose a novel approach called Typicalness-Aware Learning (TAL) to address this issue and improve failure detection performance. We observe that, with the cross-entropy loss, model predictions are optimized to align with the corresponding labels via increasing logit magnitude or refining logit direction. However, regarding atypical samples, the image content and their labels may exhibit disparities. This discrepancy can lead to overfitting on atypical samples, ultimately resulting in the overconfidence issue that we aim to address.To address this issue, we have devised a metric that quantifies the typicalness of each sample, enabling the dynamic adjustment of the logit magnitude during the training process. By allowing relatively atypical samples to be adequately fitted while preserving reliable logit direction, the problem of overconfidence can be mitigated. TAL has been extensively evaluated on benchmark datasets, and the results demonstrate its superiority over existing failure detection methods. Specifically, TAL achieves a more than 5\% improvement on CIFAR100 in terms of the Area Under the Risk-Coverage Curve (AURC) compared to the state-of-the-art. Code is available at https://github.com/liuyijungoon/TAL.

Computer Vision

Zujin Guo, Wei Li, Chen Change Loy

Motion modeling is critical in flow-based Video Frame Interpolation (VFI). Existing paradigms either consider linear combinations of bidirectional flows or directly predict bilateral flows for given timestamps without exploring favorable motion priors, thus lacking the capability of effectively modeling spatiotemporal dynamics in real-world videos. To address this limitation, in this study, we introduce Generalizable Implicit Motion Modeling (GIMM), a novel and effective approach to motion modeling for VFI. Specifically, to enable GIMM as an effective motion modeling paradigm, we design a motion encoding pipeline to model spatiotemporal motion latent from bidirectional flows extracted from pre-trained flow estimators, effectively representing input-specific motion priors. Then, we implicitly predict arbitrary-timestep optical flows within two adjacent input frames via an adaptive coordinate-based neural network, with spatiotemporal coordinates and motion latent as inputs. Our GIMM can be easily integrated with existing flow-based VFI works by supplying accurately modeled motion. We show that GIMM performs better than the current state of the art on standard VFI benchmarks.

Liyang Zhu, Amina Manseur, Meng Ding, Jinyan Liu, Jinhui Xu, Di Wang

We study the problem of fitting the high dimensional sparse linear regression model, where the data are provided by strategic or self-interested agents (individuals) who prioritize their privacy of data disclosure. In contrast to the classical setting, our focus is on designing mechanisms that can effectively incentivize most agents to truthfully report their data while preserving the privacy of individual reports. Simultaneously, we seek an estimator which should be close to the underlying parameter. We attempt to solve the problem by deriving a novel private estimator that has a closed-form expression. Based on the estimator, we propose a mechanism which has the following properties via some appropriate design of the computation and payment scheme: (1) the mechanism is $(o(1), O(n^{-\Omega({1})}))$-jointly differentially private, where $n$ is the number of agents; (2) it is an $o(\frac{1}{n})$-approximate Bayes Nash equilibrium for a $(1-o(1))$-fraction of agents to truthfully report their data; (3) the output could achieve an error of $o(1)$ to the underlying parameter; (4) it is individually rational for a $(1-o(1))$ fraction of agents in the mechanism; (5) the payment budget required from the analyst to run the mechanism is $o(1)$. To the best of our knowledge, this is the first study on designing truthful (and privacy-preserving) mechanisms for high dimensional sparse linear regression.

Language · Speech

Chenyang Le, Yao Qian, Dongmei Wang, Long Zhou, Shujie LIU, Xiaofei Wang, Midia Yousefi, Yanmin Qian, Jinyu Li, Michael Zeng

There is a rising interest and trend in research towards directly translating speech from one language to another, known as end-to-end speech-to-speech translation. However, most end-to-end models struggle to outperform cascade models, i.e., a pipeline framework by concatenating speech recognition, machine translation and text-to-speech models. The primary challenges stem from the inherent complexities involved in direct translation tasks and the scarcity of data. In this study, we introduce a novel model framework TransVIP that leverages diverse datasets in a cascade fashion yet facilitates end-to-end inference through joint probability. Furthermore, we propose two separated encoders to preserve the speaker’s voice characteristics and isochrony from the source speech during the translation process, making it highly suitable for scenarios such as video dubbing. Our experiments on the French-English language pair demonstrate that our model outperforms the current state-of-the-art speech-to-speech translation model.

Generative Models · Diffusion models

Zeqi Xiao, Yifan Zhou, Shuai Yang, Xingang Pan

Video generation primarily aims to model authentic and customized motion across frames, making understanding and controlling the motion a crucial topic. Most diffusion-based studies on video motion focus on motion customization with training-based paradigms, which, however, demands substantial training resources and necessitates retraining for diverse models. Crucially, these approaches do not explore how video diffusion models encode cross-frame motion information in their features, lacking interpretability and transparency in their effectiveness. To answer this question, this paper introduces a novel perspective to understand, localize, and manipulate motion-aware features in video diffusion models. Through analysis using Principal Component Analysis (PCA), our work discloses that robust motion-aware feature already exists in video diffusion models. We present a new MOtion FeaTure (MOFT) by eliminating content correlation information and filtering motion channels. MOFT provides a distinct set of benefits, including the ability to encode comprehensive motion information with clear interpretability, extraction without the need for training, and generalizability across diverse architectures. Leveraging MOFT, we propose a novel training-free video motion control framework. Our method demonstrates competitive performance in generating natural and faithful motion, providing architecture-agnostic insights and applicability in a variety of downstream tasks.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Wenjun Zhang, Liangxiao Jiang, Chaoqun Li

In recent years, a large number of algorithms for label integration and noise correction have been proposed to infer the unknown true labels of instances in crowdsourcing. They have made great advances in improving the label quality of crowdsourced datasets. However, due to the presence of intractable instances, these algorithms are usually not as significant in improving the model quality as they are in improving the label quality. To improve the model quality, this paper proposes an instance weighting-based bias-variance trade-off (IWBVT) approach. IWBVT at first proposes a novel instance weighting method based on the complementary set and entropy, which mitigates the impact of intractable instances and thus makes the bias and variance of trained models closer to the unknown true results. Then, IWBVT performs probabilistic loss regressions based on the bias-variance decomposition, which achieves the bias-variance trade-off and thus reduces the generalization error of trained models. Experimental results indicate that IWBVT can serve as a universal post-processing approach to significantly improving the model quality of existing state-of-the-art label integration algorithms and noise correction algorithms.

Theory · Everything Else

Yunbum Kook, Santosh Vempala, Matthew Zhang

We present a new random walk for uniformly sampling high-dimensional convex bodies. It achieves state-of-the-art runtime complexity with stronger guarantees on the output than previously known, namely in Rényi divergence (which implies TV, $\mathcal{W}_2$, KL, $\chi^2$). The proof departs from known approaches for polytime algorithms for the problem - we utilize a stochastic diffusion perspective to show contraction to the target distribution with the rate of convergence determined by functional isoperimetric constants of the stationary density.

Fairness

Drago Plecko, Elias Bareinboim

As society increasingly relies on AI-based tools for decision-making in socially sensitive domains, investigating fairness and equity of such automated systems has become a critical field of inquiry. Most of the literature in fair machine learning focuses on defining and achieving fairness criteria in the context of prediction, while not explicitly focusing on how these predictions may be used later on in the pipeline. For instance, if commonly used criteria, such as independence or sufficiency, are satisfied for a prediction score $S$ used for binary classification, they need not be satisfied after an application of a simple thresholding operation on $S$ (as commonly used in practice). In this paper, we take an important step to address this issue in numerous statistical and causal notions of fairness. We introduce the notion of a margin complement, which measures how much a prediction score $S$ changes due to a thresholding operation.We then demonstrate that the marginal difference in the optimal 0/1 predictor $\widehat Y$ between groups, written $P(\hat y \mid x_1) - P(\hat y \mid x_0)$, can be causally decomposed into the influences of $X$ on the $L_2$-optimal prediction score $S$ and the influences of $X$ on the margin complement $M$, along different causal pathways (direct, indirect, spurious). We then show that under suitable causal assumptions, the influences of $X$ on the prediction score $S$ are equal to the influences of $X$ on the true outcome $Y$. This yields a new decomposition of the disparity in the predictor $\widehat Y$ that allows us to disentangle causal differences inherited from the true outcome $Y$ that exists in the real world vs. those coming from the optimization procedure itself. This observation highlights the need for more regulatory oversight due to the potential for bias amplification, and to address this issue we introduce new notions of weak and strong business necessity, together with an algorithm for assessing whether these notions are satisfied. We apply our method to three real-world datasets and derive new insights on bias amplification in prediction and decision-making.