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General Machine Learning · Everything Else

Jun-Qi Guo, Meng-Zhang Qian, Wei Gao, Zhi-Hua Zhou

Diversity has been one of the most crucial factors on the design of adversarial ensemble methods. This work focuses on the fundamental problems: How to define the diversity for the adversarial ensemble, and how to correlate with algorithmic performance. We first show that it is an NP-Hard problem to precisely calculate the diversity of two networks in adversarial ensemble learning, which makes it different from prior diversity analysis. We present the first diversity decomposition under the first-order approximation for the adversarial ensemble learning. Specifically, the adversarial ensemble loss can be decomposed into average of individual adversarial losses, gradient diversity, prediction diversity and cross diversity. Hence, it is not sufficient to merely consider the gradient diversity on the characterization of diversity as in previous adversarial ensemble methods. We present diversity decomposition for classification with cross-entropy loss similarly. Based on the theoretical analysis, we develop new ensemble method via orthogonal adversarial predictions to simultaneously improve gradient diversity and cross diversity. We finally conduct experiments to validate the effectiveness of our method.

Applications · Language, Speech and Dialog

Kanghee Park, Timothy Zhou, Loris D'Antoni

Large Language Models (LLMs) are often asked to generate structured outputs that obey precise syntactic rules, such as code snippets or formatted data. Grammar-constrained decoding (GCD) can guarantee that LLM outputs matches such rules by masking out tokens that will provably lead to outputs that do not belong to a specified context-free grammar (CFG). To guarantee soundness, GCD algorithms have to compute how a given LLM subword tokenizer can ``align'' with the tokens used by a given context-free grammar and compute token masks based on this information. Doing so efficiently is challenging and existing GCD algorithms require tens of minutes to preprocess common grammars. We present a new GCD algorithm together with an implementation that offers 17.71x faster offline preprocessing than existing approaches while preserving state-of-the-art efficiency in online mask computation.

Reinforcement Learning · Inverse

Junyi Liao, Zihan Zhu, Ethan Fang, Zhuoran Yang, Vahid Tarokh

Estimating the unknown reward functions driving agents' behavior is a central challenge in inverse games and reinforcement learning. This paper introduces a unified framework for reward function recovery in two-player zero-sum matrix games and Markov games with entropy regularization. Given observed player strategies and actions, we aim to reconstruct the underlying reward functions. This task is challenging due to the inherent ambiguity of inverse problems, the non-uniqueness of feasible rewards, and limited observational data coverage. To address these challenges, we establish reward function identifiability using the quantal response equilibrium (QRE) under linear assumptions. Building on this theoretical foundation, we propose an algorithm to learn reward from observed actions, designed to capture all plausible reward parameters by constructing confidence sets. Our algorithm works in both static and dynamic settings and is adaptable to incorporate other methods, such as Maximum Likelihood Estimation (MLE). We provide strong theoretical guarantees for the reliability and sample-efficiency of our algorithm. Empirical results demonstrate the framework’s effectiveness in accurately recovering reward functions across various scenarios, offering new insights into decision-making in competitive environments.

General Machine Learning · Causality

Yujia Yin, Tianyi Qu, Zihao Wang, Yifan Chen

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes of CGL techniques are mostly exemplified in classification settings, while regression tasks, a more challenging setting in graph learning, are overlooked. We thus devote this work to tackling causal graph regression (CGR); to this end we reshape the processing of confounding effects in existing CGL studies, which mainly deal with classification. Specifically, we reflect on the predictive power of confounders in graph-level regression, and generalize classification-specific causal intervention techniques to regression through a lens of contrastive learning. Extensive experiments on graph OOD benchmarks validate the efficacy of our proposals for CGR. The model implementation and the code are provided on https://github.com/causal-graph/CGR.

Theory · Learning Theory

Yuanhe Zhang, Fanghui Liu, Yudong Chen

This paper explores how theory can guide and enhance practical algorithms, using Low-Rank Adaptation (LoRA) (Hu et al., 2022) in large language models as a case study. We rigorously prove that, under gradient descent, LoRA adapters align with specific singular subspaces of the one-step full fine-tuning gradient. This result suggests that, by properly initializing the adapters using the one-step full gradient, subspace alignment can be achieved immediately—applicable to both linear and nonlinear models. Building on our theory, we propose a theory-driven algorithm, LoRA-One, where the linear convergence (as well as generalization) is built and incorporating preconditioners theoretically helps mitigate the effects of ill-conditioning. Besides, our theory reveals connections between LoRA-One and other gradient-alignment-based methods, helping to clarify misconceptions in the design of such algorithms. LoRA-One achieves significant empirical improvements over LoRA and its variants across benchmarks in natural language understanding, mathematical reasoning, and code generation. Code is available at: https://github.com/YuanheZ/LoRA-One.

Deep Learning · Large Language Models

Leshem Choshen, Yang Zhang, Jacob Andreas

Scaling laws predict the loss of a target machine learning model by extrapolatingfrom easier-to-train models with fewer parameters or smaller training sets. Thisprovides an efficient way for practitioners and researchers alike to compare pre-training decisions involving optimizers, datasets, and model architectures. Despitethe widespread use of scaling laws to model the dynamics of language modeltraining, there has been little work on understanding how to best estimate andinterpret them. We collect (and release) a large-scale dataset containing losses anddownstream evaluations for 485 previously published pretrained models. We usethese to estimate more than 1000 scaling laws, then derive a set of best practicesfor estimating scaling laws in new model families. We find that fitting scaling lawsto intermediate checkpoints of training runs (and not just their final losses) substan-tially improves accuracy, and that—all else equal—estimates of performance aregenerally most accurate when derived from other models of similar sizes. However,because there is a significant degree of variability across model seeds, trainingmultiple small models is sometimes more useful than training a single large one.Moreover, while different model families differ in scaling behavior, they are oftensimilar enough that a target model’s behavior can be predicted from a single modelwith the same architecture, along with scaling parameter estimates derived fromother model families.

Reinforcement Learning · Planning

Jake Tuero, Michael Buro, Levi Lelis

Policy tree search is a family of tree search algorithms that use a policy to guide the search. These algorithms provide guarantees on the number of expansions required to solve a given problem that are based on the quality of the policy. While these algorithms have shown promising results, the process in which they are trained requires complete solution trajectories to train the policy. Search trajectories are obtained during a trial-and-error search process. When the training problem instances are hard, learning can be prohibitively costly, especially when starting from a randomly initialized policy. As a result, search samples are wasted in failed attempts to solve these hard instances. This paper introduces a novel method for learning subgoal-based policies for policy tree search algorithms. The subgoals and policies conditioned on subgoals are learned from the trees that the search expands while attempting to solve problems, including the search trees of failed attempts. We empirically show that our policy formulation and training method improve the sample efficiency of learning a policy and heuristic function in this online setting.

General Machine Learning · Evaluation

Tianle Li, Wei-Lin Chiang, Evan Frick, Lisa Dunlap, Tianhao Wu, Banghua Zhu, Joseph E Gonzalez, Ion Stoica

The rapid evolution of Large Language Models (LLMs) has outpaced the development of model evaluation, highlighting the need for continuous curation of new, challenging benchmarks. However, manual curation of high-quality, human-aligned benchmarks is expensive and time-consuming. To address this, we introduce BenchBuilder, an automated pipeline that leverages LLMs to curate high-quality, open-ended prompts from large, crowd-sourced datasets, enabling continuous benchmark updates without human in the loop. We apply BenchBuilder to datasets such as Chatbot Arena and WildChat-1M, extracting challenging prompts and utilizing LLM-as-a-Judge for automatic model evaluation. To validate benchmark quality, we propose new metrics to measure a benchmark’s alignment with human preferences and ability to separate models. We release Arena-Hard-Auto, a benchmark consisting 500 challenging prompts curated by BenchBuilder. Arena-Hard-Auto provides 3x higher separation of model performances compared to MT-Bench and achieves 98.6% correlation with human preference rankings, all at a cost of $20. Our work sets a new framework for the scalable curation of automated benchmarks from extensive data.

General Machine Learning · Everything Else

Ngoc Bui, Menglin Yang, Runjin Chen, Leonardo Neves, Mingxuan Ju, ZHITAO YING, Neil Shah, Tong Zhao

Backward compatible representation learning enables updated models to integrate seamlessly with existing ones, avoiding to reprocess stored data. Despite recent advances, existing compatibility approaches in Euclidean space neglect the uncertainty in the old embedding models and force the new model to replicate outdated representations regardless of their quality, and thereby hindering the learning process. In this paper, we switch perspectives to hyperbolic geometry, where we treat time as a natural axis for capturing a model’s confidence and evolution. By lifting embeddings into hyperbolic space and constraining updated embeddings to lie within the entailment cone of the old ones, we maintain generational consistency across models while accounting for uncertainties in the representations. To further enhance compatibility, we introduce a robust contrastive alignment loss that dynamically adjusts alignment weights based on the uncertainty of the old embeddings. Experiments validate the superiority of the proposed method in achieving compatibility, paving the way for more resilient and adaptable machine learning systems.

Deep Learning · Large Language Models

Ruyi Xu, Guangxuan Xiao, Haofeng Huang, Junxian Guo, Song Han

Long-Context Transformer Models (LCTMs) are vital for real-world applications but suffer high computational costs due to attention's quadratic complexity. Block-sparse attention mitigates this by focusing computation on critical regions, yet existing methods struggle with balancing accuracy and efficiency due to costly block importance measurements.In this paper, we introduce XAttention, a plug-and-play framework that dramatically accelerates long-context inference in Transformers models using sparse attention. XAttention's key innovation is the insight that the sum of antidiagonal values (i.e., from the lower-left to upper-right) in the attention matrix provides a powerful proxy for block importance. This allows for precise identification and pruning of non-essential blocks, resulting in high sparsity and dramatically accelerated inference.Across comprehensive evaluations on demanding long-context benchmarks—including RULER and LongBench for language, VideoMME for video understanding, and VBench for video generation—XAttention achieves accuracy comparable to full attention while delivering substantial computational gains. We demonstrate up to 13.5x acceleration in attention computation. These results underscore XAttention's ability to unlock the practical potential of block sparse attention, paving the way for scalable and efficient deployment of LCTMs in real-world applications.

Applications · Chemistry, Physics, and Earth Sciences

Erpai Luo, Xinran Wei, Lin Huang, Yunyang Li, Han Yang, Zaishuo Xia, Zun Wang, Chang Liu, Bin Shao, Jia Zhang

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost—driven by high-order tensor product (TP) operations—restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce **SPH**Net, an efficient and scalable equivariant network, that incorporates adaptive **SP**arsity into **H**amiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70\%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact.

Applications · Computer Vision

Hang Guo, Yawei Li, Tao Dai, Shutao Xia, Luca Benini

Fine-tuning pre-trained diffusion models under limited budgets has gained great success. In particular, the recent advances that directly fine-tune the quantized weights using Low-rank Adaptation (LoRA) further reduces training costs. Despite these progress, we point out that existing adaptation recipes are not inference-efficient. Specifically, additional post-training quantization (PTQ) on tuned weights is needed during deployment, which results in noticeable performance drop when the bit-width is low. Based on this observation, we introduce IntLoRA, which adapts quantized diffusion models with integer-type low-rank parameters, to include inference efficiency during tuning. Specifically, IntLoRA enables pre-trained weights to remain quantized during training, facilitating fine-tuning on consumer-level GPUs. During inference, IntLoRA weights can be seamlessly merged into pre-trained weights to directly obtain quantized downstream weights without PTQ. Extensive experiments show our IntLoRA achieves significant speedup on both training and inference without losing performance.

Optimization · Discrete and Combinatorial Optimization

Suyu Liu, Zhiguang Cao, Shanshan Feng, Yew Soon ONG

Solving various types of vehicle routing problems (VRPs) using a unified neural solver has garnered significant attentions in recent years. Despite their effectiveness, existing neural multi-task solvers often fail to account for the geometric structures inherent in different tasks, which may result in suboptimal performance. To address this limitation, we propose a curvature-aware pre-training framework. Specifically, we leverage mixed-curvature spaces during the feature fusion stage, encouraging the model to capture the underlying geometric properties of each instance. Through extensive experiments, we evaluate the proposed pre-training strategy on existing neural multi-task solvers across a variety of testing scenarios. The results demonstrate that the curvature-aware pre-training approach not only enhances the generalization capabilities of existing neural VRP solvers on synthetic datasets but also improves solution quality on real-world benchmarks.

Deep Learning

Yanbo Wang, Justin Dauwels, Yilun Du

Generative models have demonstrated remarkable abilities in generating high-fidelity visual content. In this work, we explore how generative models can further be used not only to synthesize visual content but also to understand the properties of a scene given a natural image. We formulate scene understanding as an inverse generative modeling problem, where we seek to find conditional parameters of a visual generative model to best fit a given natural image. To enable this procedure to infer scene structure from images substantially different than those seen during training, we further propose to build this visual generative model compositionally from smaller models over pieces of a scene. We illustrate how this procedure enables us to infer the set of objects in a scene, enabling robust generalization to new test scenes with an increased number of objects of new shapes. We further illustrate how this enables us to infer global scene factors, likewise enabling robust generalization to new scenes. Finally, we illustrate how this approach can be directly applied to existing pretrained text-to-image generative models for zero-shot multi-object perception. Code and visualizations are at https://energy-based-model.github.io/compositional-inference.

Deep Learning · Generative Models and Autoencoders

Sucheng Ren, Qihang Yu, Ju He, Xiaohui Shen, Alan Yuille, Liang-Chieh Chen

Autoregressive (AR) modeling has achieved remarkable success in natural language processing by enabling models to generate text with coherence and contextual understanding through next token prediction. Recently, in image generation, VAR proposes scale-wise autoregressive modeling, which extends the next token prediction to the next scale prediction, preserving the 2D structure of images. However, VAR encounters two primary challenges: (1) its complex and rigid scale design limits generalization in next scale prediction, and (2) the generator’s dependence on a discrete tokenizer with the same complex scale structure restricts modularity and flexibility in updating the tokenizer. To address these limitations, we introduce FlowAR, a general next scale prediction method featuring a streamlined scale design, where each subsequent scale is simply double the previous one. This eliminates the need for VAR’s intricate multi-scale residual tokenizer and enables the use of any off-the-shelf Variational AutoEncoder (VAE). Our simplified design enhances generalization in next scale prediction and facilitates the integration of Flow Matching for high-quality image synthesis. We validate the effectiveness of FlowAR on the challenging ImageNet-256 benchmark, demonstrating superior generation performance compared to previous methods. Codes is available at \href{https://github.com/OliverRensu/FlowAR}{https://github.com/OliverRensu/FlowAR}.

Applications · Computer Vision

Yu Wang, Shiwei Chen

Weakly supervised video anomaly detection (WS-VAD) is tasked with pinpointing temporal intervals containing anomalous events within untrimmed videos, utilizing only video-level annotations. However, a significant challenge arises due to the absence of dense frame-level annotations, often leading to incomplete localization in existing WS-VAD methods. To address this issue, we present a novel LEC-VAD, Learning Event Completeness for Weakly Supervised Video Anomaly Detection, which features a dual structure designed to encode both category-aware and category-agnostic semantics between vision and language. Within LEC-VAD, we devise semantic regularities that leverage an anomaly-aware Gaussian mixture to learn precise event boundaries, thereby yielding more complete event instances. Besides, we develop a novel memory bank-based prototype learning mechanism to enrich concise text descriptions associated with anomaly-event categories. This innovation bolsters the text's expressiveness, which is crucial for advancing WS-VAD. Our LEC-VAD demonstrates remarkable advancements over the current state-of-the-art methods on two benchmark datasets XD-Violence and UCF-Crime.

Deep Learning · Algorithms

xiaokun Feng, Dailing Zhang, Shiyu Hu, Xuchen Li, Meiqi Wu, Jing Zhang, Xiaotang Chen, Kaiqi Huang

Effectively modeling and utilizing spatiotemporal features from RGB and other modalities (e.g., depth, thermal, and event data, denoted as X) is the core of RGB-X tracker design. Existing methods often employ two parallel branches to separately process the RGB and X input streams, requiring the model to simultaneously handle two dispersed feature spaces, which complicates both the model structure and computation process. More critically, intra-modality spatial modeling within each dispersed space incurs substantial computational overhead, limiting resources for inter-modality spatial modeling and temporal modeling.To address this, we propose a novel tracker, CSTrack, which focuses on modeling Compact Spatiotemporal features to achieve simple yet effective tracking.Specifically, we first introduce an innovative Spatial Compact Module that integrates the RGB-X dual input streams into a compact spatial feature, enabling thorough intra- and inter-modality spatial modeling. Additionally, we design an efficient Temporal Compact Module that compactly represents temporal features by constructing the refined target distribution heatmap. Extensive experiments validate the effectiveness of our compact spatiotemporal modeling method, with CSTrack achieving new SOTA results on mainstream RGB-X benchmarks. The code and models will be released at: https://github.com/XiaokunFeng/CSTrack.

Deep Learning · Generative Models and Autoencoders

Xiancheng Sun, Senmao Ma, Shengxi Li, Mai Xu, Jingyuan Xia, Lai Jiang, Xin Deng, Jiali Wang

Panoramic image outpainting acts as a pivotal role in immersive content generation, allowing for seamless restoration and completion of panoramic content. Given the fact that the majority of generative outpainting solutions operates on planar images, existing methods for panoramic images address the sphere nature by soft regularisation during the end-to-end learning, which still fails to fully exploit the spherical content. In this paper, we set out the first attempt to impose the sphere nature in the design of diffusion model, such that the panoramic format is intrinsically ensured during the learning procedure, named as spherical-nested diffusion (SpND) model. This is achieved by employing spherical noise in the diffusion process to address the structural prior, together with a newly proposed spherical deformable convolution (SDC) module to intrinsically learn the panoramic knowledge. Upon this, the proposed method is effectively integrated into a pre-trained diffusion model, outperforming existing state-of-the-art methods for panoramic image outpainting. In particular, our SpND method reduces the FID values by more than 50\% against the state-of-the-art PanoDiffusion method. Codes are publicly available at \url{https://github.com/chronos123/SpND}.

Probabilistic Methods · Bayesian Models and Methods

Marcel Hedman, Desi Ivanova, Cong Guan, Tom Rainforth

We develop a semi-amortized, policy-based, approach to Bayesian experimental design (BED) called Stepwise Deep Adaptive Design (Step-DAD). Like existing, fully amortized, policy-based BED approaches, Step-DAD trains a design policy upfront before the experiment. However, rather than keeping this policy fixed, Step-DAD periodically updates it as data is gathered, refining it to the particular experimental instance. This test-time adaptation improves both the flexibility and the robustness of the design strategy compared with existing approaches. Empirically, Step-DAD consistently demonstrates superior decision-making and robustness compared with current state-of-the-art BED methods.

Probabilistic Methods · Variational Inference

Kian Ming Chai, Edwin V. Bonilla

We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors, offering a versatile tool for probabilistic modelling. We demonstrate two cases where gradients can be obtained analytically and a simulation study on mixture models showing that our fractional posteriors can be used to achieve better calibration compared to posteriors from the conventional variational bound. When applied to variational autoencoders (VAEs), our approach attains higher evidence bounds and enables learning of high-performing approximate Bayes posteriors jointly with fractional posteriors. We show that VAEs trained with fractional posteriors produce decoders that are better aligned for generation from the prior.