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General Machine Learning · Transfer, Multitask and Meta-learning

Weiyu Chen, Hansi Yang, Yunhao Gou, Han Shi, Enliang Hu, Zhenguo Li, James Kwok

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks but require substantial computational resources, limiting their deployment in resource-constrained environments. While one-shot pruning methods can reduce model size without expensive retraining, they typically optimize for single objectives, ignoring LLMs' multi-faceted applications. We introduce Multi-Objective One-Shot Pruning (MOSP), which formulates LLM pruning as a multi-objective optimization problem. MOSP efficiently generates a Pareto set of pruned models representing different capability trade-offs, allowing users to select solutions aligned with their preferences. The proposed approach identifies share core support while enabling specialized support. Experiments across various LLMs and sparsity levels demonstrate MOSP's superior performance in navigating multi-objective trade-offs compared to baseline methods.

Deep Learning · Graph Neural Networks

Pritish Chakraborty, Indradyumna Roy, Soumen Chakrabarti, Abir De

Retrieving graphs from a large corpus, that contain a subgraph isomorphic to a given query graph, is a core operation in many real-world applications. While recent multi-vector graph representations and scores based on set alignment and containment can provide accurate subgraph isomorphism tests, their use in retrieval remains limited by their need to score corpus graphs exhaustively. We introduce CoRGII (COntextual Representation of Graphs for Inverted Indexing), a graph indexing framework in which, starting with a contextual dense graph representation, a differentiable discretization module computes sparse binary codes over a learned latent vocabulary. This text document-like representation allows us to leverage classic, highly optimized inverted indexes, while supporting soft (vector) set containment scores. Improving on this paradigm further, we replace the classical impact score of a `word' on a graph (such as defined by TFIDF or BM25) with a data-driven, trainable impact score. Crucially, CoRGII is trained end-to-end using only binary relevance labels, without fine-grained supervision of query-to-document set alignments. Extensive experiments show that CoRGII provides better trade-offs between efficiency and accuracy, compared to several baselines.

Applications · Language, Speech and Dialog

Xiaoxi Li, Jiajie Jin, Guanting Dong, Hongjin Qian, Yongkang Wu, Ji-Rong Wen, Yutao Zhu, Zhicheng Dou

Large reasoning models (LRMs), such as OpenAI-o1 and DeepSeek-R1, demonstrate impressive long-horizon reasoning capabilities. However, their reliance on static internal knowledge limits their performance on complex, knowledge-intensive tasks and hinders their ability to produce comprehensive research reports requiring synthesis of diverse web information. To address this, we propose WebThinker, a deep research agent that empowers LRMs to autonomously search the web, navigate among web pages, and draft reports during the reasoning process. WebThinker integrates a Deep Web Explorer module, enabling LRMs to dynamically search, navigate, and extract information from the web when encountering knowledge gaps. It also employs an Autonomous Think-Search-and-Draft strategy, allowing the model to seamlessly interleave reasoning, information gathering, and report writing in real time. To further enhance research tool utilization, we introduce an RL-based training strategy via iterative online Direct Preference Optimization (DPO). Extensive experiments on complex reasoning benchmarks (GPQA, GAIA, WebWalkerQA, HLE) and scientific report generation tasks (Glaive) demonstrate that WebThinker significantly outperforms existing methods and strong proprietary systems. Our approach enhances LRM reliability and applicability in complex scenarios, paving the way for more capable and versatile deep research systems. The code is available at https://github.com/RUC-NLPIR/WebThinker.

Deep Learning · Attention Mechanisms

Yueqi Zhang, Peiwen Yuan, Yiwei Li, Shaoxiong Feng, Xinglin Wang, Jiayi Shi, Chuyi Tan, Boyuan Pan, Yao Hu, Prof. Kan

Human–AI conversation frequently relies on quoting earlier text—“check it with the formula I just highlighted”—yet today’s large language models (LLMs) lack an explicit mechanism for locating and exploiting such spans. We formalize the challenge as span-conditioned generation, decomposing each turn into the dialogue history, a set of token-offset quotation spans, and an intent utterance. Building on this abstraction, we introduce a quotation-centric data pipeline that automatically synthesizes task-specific dialogues, verifies answer correctness through multi-stage consistency checks, and yields both a heterogeneous training corpus and the first benchmark covering five representative scenarios. To meet the benchmark’s zero-overhead and parameter-efficiency requirements, we propose QuAda, a lightweight training-based method that attaches two bottleneck projections to every attention head, dynamically amplifying or suppressing attention to quoted spans at inference time while leaving the prompt unchanged and updating < 2.8% of backbone weights. Experiments across models show that QuAda is suitable for all scenarios and generalizes to unseen topics, offering an effective, plug-and-play solution for quotation-aware dialogue.

Applications · Time Series

Xinghong Chen, Weilin Wu, Kunping Yang, Guannan Chen

Forecasting real-world time series requires modeling both short-term fluctuations and long-term evolutions, as these signals typically exhibit multiscale temporal structures. A core challenge lies in reconciling such dynamics: high-frequency seasonality demands local precision, while low-frequency trends require global robustness. However, most existing methods adopt a unified loss function across all temporal components, overlooking their structural differences. This misalignment often causes overfitting to seasonal noise or underfitting of long-term trends, leading to suboptimal forecasting performance. To address this issue, we propose a Physics-guided Multiscale Loss Framework (PMLF) that decomposes time series into seasonal and trend components and assigns component-specific objectives grounded in the distinct energy responses of oscillatory and drift dynamics. Specifically, we assign a quadratic loss to seasonal components, reflecting the quadratic potential energy profile of molecular vibration, while a logarithmic loss is used for trend components to capture the sublinear energy profile of molecular drift under sustained external forces. Furthermore, we introduce a softmax-based strategy that adaptively balances the unequal energetic responses of these two physical processes. Experiments on different public benchmarks show that PMLF improves the performance of diverse baselines, demonstrating the effectiveness of physics-guided loss design in modeling structural heterogeneity in time series forecasting.

General Machine Learning · Representation Learning

Xuan Son Nguyen, Aymeric Histace, Nistor Grozavu

Riemannian symmetric spaces (RSS) such as hyperbolic spaces and symmetric positive definite (SPD) manifolds have become popular spaces for representation learning. In this paper, we propose a novel approach for building discriminative neural networks on Siegel spaces, a family of RSS that is largely unexplored in machine learning tasks. For classification applications, one focus of recent works is the construction of multiclass logistic regression (MLR) and fully-connected (FC) layers for hyperbolic and SPD neural networks. Here we show how to build such layers for Siegel neural networks. Our approach relies on the quotient structure of those spaces and the notation of vector-valued distance on RSS. We demonstrate the relevance of our approach on two applications, i.e., radar signal classification and node classification. Our results successfully demonstrate state-of-the-art performance across all datasets.

Data-centric AI · Data-centric AI methods and tools

Brian Nlong Zhao, Jiajun Wu, Shangzhe Wu

Computer vision for animals holds great promise for wildlife research but often depends on large-scale data, while existing collection methods rely on controlled capture setups. Recent data-driven approaches show the potential of single-view, non-invasive analysis, yet current animal video datasets are limited—offering as few as 2.4K 15-frame clips and lacking key processing for animal-centric 3D/4D tasks. We introduce an automated pipeline that mines YouTube videos and processes them into object-centric clips, along with auxiliary annotations valuable for downstream tasks like pose estimation, tracking, and 3D/4D reconstruction. Using this pipeline, we amass 30K videos (2M frames)—an order of magnitude more than prior works. To demonstrate its utility, we focus on 4D quadruped animal reconstruction task. To support this task, we present Animal4D, a benchmark of 230 manually filtered sequences with 11K frames showcasing clean, diverse animal motions. We evaluate state-of-the-art model-based and model-free methods on Animal4D, finding that 2D metrics favor the former despite unrealistic 3D shapes, while the latter yields more natural reconstructions but scores lower—revealing a gap in current evaluation. To address this, we enhance a recent model-free approach with sequence-level optimization, establishing the first 4D animal reconstruction baseline. Together, our pipeline, benchmark, and baseline aim to advance large-scale, markerless 4D animal reconstruction and related tasks from in-the-wild videos. Code and datasets are available at https://github.com/briannlongzhao/Animal-Video-Processing.

Theory · Everything Else

Marco Sälzer, Przemyslaw Walega, Martin Lange

In recent years, the expressive power of various neural architectures---including graph neural networks (GNNs), transformers, and recurrent neural networks---has been characterised using tools from logic and formal language theory. As the capabilities of basic architectures are becoming well understood, increasing attention is turning to models that combine multiple architectural paradigms. Among them particularly important, and challenging to analyse, are temporal extensions of GNNs, which integrate both spatial (graph-structure) and temporal (evolution over time) dimensions. In this paper, we initiate the study of logical characterisation of temporal GNNs by connecting them to two-dimensional product logics. We show that the expressive power of temporal GNNs depends on how graph and temporal components are combined. In particular, temporal GNNs that apply static GNNs recursively over time can capture all properties definable in the product logic of (past) propositional temporal logic PTL and the modal logic K. In contrast, architectures such as graph-and-time TGNNs and global TGNNs can only express restricted fragments of this logic, where the interaction between temporal and spatial operators is syntactically constrained. These provide us with the first results on the logical expressiveness of temporal GNNs.

Deep Learning · Everything Else

Yamato Arai, Yuma Ichikawa

Layer-wise PTQ is a promising technique for compressing large language models (LLMs), due to its simplicity and effectiveness without requiring retraining. However, recent progress in this area is saturating, underscoring the need to revisit its core limitations and explore further improvements. We address this challenge by identifying a key limitation of existing layer-wise PTQ methods: the growth of quantization errors across layers significantly degrades performance, particularly in low-bit regimes. To address this fundamental issue, we propose Quantization Error Propagation (QEP), a general, lightweight, and scalable framework that enhances layer-wise PTQ by explicitly propagating quantization errors and compensating for accumulated errors. QEP also offers a tunable propagation mechanism that prevents overfitting and controls computational overhead, enabling the framework to adapt to various architectures and resource budgets. Extensive experiments on several LLMs demonstrate that QEP-enhanced layer-wise PTQ achieves substantially higher accuracy than existing methods. Notably, the gains are most pronounced in the extremely low-bit quantization regime.

Applications

Wenxin Zhang, Yueying Li, Ciamac C Moallemi, Tianyi Peng

Prompt caching is critical for reducing latency and cost in LLM inference---OpenAI and Anthropic report up to 50–90\% cost savings through prompt reuse. Despite its widespread success, little is known about what constitutes an optimal prompt caching policy, particularly when optimizing tail latency—a metric of central importance to practitioners. The widely used Least Recently Used (LRU) policy can perform arbitrarily poor on this metric, as it is oblivious to the heterogeneity of conversation lengths. To address this gap, we propose Tail-Optimized LRU, a simple two-line modification that reallocates KV cache capacity to prioritize high-latency conversations by evicting cache entries that are unlikely to affect future turns. Though the implementation is simple, we prove its optimality under a natural stochastic model of conversation dynamics, providing the first theoretical justification for LRU in this setting---a result that may be of independent interest to the caching community. Experimentally, on real conversation data WildChat~\citep{zhao2024wildchat}, Tail-Optimized LRU achieves up to 27.5\% reduction in P90 tail Time to First Token latency and 23.9\% in P95 tail latency compared to LRU, along with up to 38.9\% decrease in SLO violations of 200ms. We believe this provides a practical and theoretically grounded option for practitioners seeking to optimize tail latency in real-world LLM deployments.

Optimization · Large Scale, Parallel and Distributed

Bicheng Ying, Zhe Li, Haibo Yang

This work tackles the fundamental challenges in Federated Learning (FL) posed by arbitrary client participation and data heterogeneity, prevalent characteristics in practical FL settings. It is well-established that popular FedAvg-style algorithms struggle with exact convergence and can suffer from slow convergence rates since a decaying learning rate is required to mitigate these scenarios. To address these issues, we introduce the concept of stochastic matrix and the corresponding time-varying graphs as a novel modeling tool to accurately capture the dynamics of arbitrary client participation and the local update procedure. Leveraging this approach, we offer a fresh perspective on designing FL algorithms, provide a rigorous quantitative analysis of the limitations inherent in the FedAvg algorithm, and present FOCUS, Federated Optimization with Exact Convergence via Push-pull Strategy, a provably convergent algorithm designed to effectively overcome the previously mentioned two challenges. More specifically, we provide a rigorous proof demonstrating that FOCUS achieves exact convergence with a linear rate regardless of the arbitrary client participation, establishing it as the first work to demonstrate this significant result.

Deep Learning · Generative Models and Autoencoders

Alexander Lobashev, Maria Larchenko, Dmitry Guskov

We propose SW-Guidance, a training-free approach for image generation conditioned on the color distribution of a reference image. While it is possible to generate an image with fixed colors by first creating an image from a text prompt and then applying a color style transfer method, this approach often results in semantically meaningless colors in the generated image. Our method solves this problem by modifying the sampling process of a diffusion model to incorporate the differentiable Sliced 1-Wasserstein distance between the color distribution of the generated image and the reference palette. Our method outperforms state-of-the-art techniques for color-conditional generation in terms of color similarity to the reference, producing images that not only match the reference colors but also maintain semantic coherence with the original text prompt. Our source code is available at https://github.com/alobashev/sw-guidance.

Zhewei Kang, Xuandong Zhao, Dawn Song

Best-of-N selection is a key technique for improving the reasoning performance of Large Language Models (LLMs) through increased test-time computation. Current state-of-the-art methods often employ computationally intensive reward models for response evaluation and selection. Reward-free alternatives, like self-consistency and universal self-consistency, are limited in their ability to handle open-ended generation tasks or scale effectively. To address these limitations, we propose self-certainty, a novel and efficient metric that leverages the inherent probability distribution of LLM outputs to estimate response quality without requiring external reward models. We hypothesize that higher distributional self-certainty, aggregated across multiple samples, correlates with improved response accuracy, as it reflects greater confidence in the generated output. Through extensive experiments on various reasoning tasks, we demonstrate that self-certainty (1) scales effectively with increasing sample size $N$, akin to reward models but without the computational overhead; (2) complements chain-of-thought, improving reasoning performance beyond greedy decoding; and (3) generalizes to open-ended tasks where traditional self-consistency methods fall short. Our findings establish self-certainty as a practical and efficient way for improving LLM reasoning capabilities. The code is available at https://github.com/backprop07/Self-Certainty

Applications · Neuroscience, Cognitive Science

Steeve Laquitaine, Simone Azeglio, Carlo Paris, Ulisse Ferrari, Matthew Chalk

A central question in sensory neuroscience is how much, but also what information neurons transmit about the world. While Shannon’s information theory provides a principled framework to quantify the amount of information neurons encode about all stimuli, it does not reveal which stimuli contribute most, or what stimulus features are encoded. As a concrete example, it is known that neurons in the early visual cortex are 'sensitive' to stimuli in a small region of space (their receptive field). However, it is not clear how such simple intuitions carry to more complex scenarios, e.g. with large, noisy & non-linear population of neurons and high-dimensional stimuli. Several previous measures of neural sensitivity have been proposed. For example, the Fisher information quantifies the sensitivity of neural responses to infinitesimal stimulus perturbations. However, as the Fisher is not a valid decomposition of the mutual information it cannot say how different stimuli contribute to the total encoded information. On the other hand, previous works have proposed stimulus dependent decompositions of mutual information, which define a function $ I(x) $ such that $ I(R; X) = \mathbb{E}[I(x)] $. However, this decomposition is inherently ill-posed: infinitely many functions $I(x)$ satisfy the constraint, with no principled way to select among them. Further, different decompositions behave in qualitatively different ways, making it hard to interpret what are they are telling us. Finally, most proposed decompositions are computationally intractable for the high-dimensional stimuli and non-linear encoding models relevant for neuroscience. To resolve these limitations, we propose a set of axioms that any stimulus specific and feature-specific information decomposition should satisfy in order to serve as a meaningful and interpretable measure of neural sensitivity. These axioms formalize intuitive desiderata: that the information assigned to each stimulus, and stimulus feature, should be non-negative, and additive with respect to repeated measurements. We also require the decomposition to respect a form of locality: changes in how a neuron responds to a stimulus $ x $ should not affect the information attributed to a distant stimulus $ x' $. Finally, the attribution must be insensitive to irrelevant features, which do not contribute to the total information. Together, these constraints ensure that the decomposition is both interpretable and theoretically grounded. We show that existing decompositions violate one or more of these axioms, limiting their interpretability and use as information theoretic measures of neural sensitivity. We then introduce a novel decomposition that satisfies all of our axioms. It generalizes Fisher information by capturing neural sensitivity to both infinitesimal and finite stimulus perturbations. Moreover, it supports further decomposition across individual stimulus features (e.g., image pixels), enabling fine-grained analysis of neural representations. Beyond satisfying our theoretical axioms, our decomposition is computationally tractable for large neural populations and high-dimensional naturalistic stimuli, through the use of diffusion models. We demonstrate the power of our method by quantifying the information encoded by a model of visual neurons about individual images and pixels. Our approach uncovers aspects of the neural code that are not picked up by standard methods, such as the Fisher information, and opens the door to similar analyses in higher-order sensory areas, and artificial neural networks.

Enrique Nueve, Bo Waggoner

When agents trade in a Duality-based Cost Function prediction market, they collectively implement the learning algorithm Follow-The-Regularized-Leader [Abernethy et al., 2013]. We ask whether other learning algorithms could be used to inspire the design of prediction markets. By decomposing and modifying the Duality-based Cost Function Market Maker's (DCFMM) pricing mechanism, we propose a new prediction market, called the Smooth Quadratic Prediction Market, the incentivizes agents to collectively implement general steepest gradient descent. Relative to the DCFMM, the Smooth Quadratic Prediction Market has a better worst-case monetary loss for AD securities while preserving axiom guarantees such as the existence of instantaneous price, information incorporation, expressiveness, no arbitrage, and a form of incentive compatibility. To motivate the application of the Smooth Quadratic Prediction Market, we independently examine agents' trading behavior under two realistic constraints: bounded budgets and buy-only securities. Finally, we provide an introductory analysis of an approach to facilitate adaptive liquidity using the Smooth Quadratic Prediction Market. Our results suggest future designs where the price update rule is separate from the fee structure, yet guarantees are preserved.

General Machine Learning · Causality

Mingxuan Li, Junzhe Zhang, Elias Bareinboim

A key task in Artificial Intelligence is learning effective policies for controlling agents in unknown environments to optimize performance measures. Off-policy learning methods, like Q-learning, allow learners to make optimal decisions based on past experiences. This paper studies off-policy learning from biased data in complex and high-dimensional domains where \emph{unobserved confounding} cannot be ruled out a priori. Building on the well-celebrated Deep Q-Network (DQN), we propose a novel deep reinforcement learning algorithm robust to confounding biases in observed data. Specifically, our algorithm attempts to find a safe policy for the worst-case environment compatible with the observations. We apply our method to twelve confounded Atari games, and find that it consistently dominates the standard DQN in all games where the observed input to the behavioral and target policies mismatch and unobserved confounders exist.

Deep Learning · Graph Neural Networks

Matthew Morris, Ian Horrocks

Graph neural networks (GNNs) are frequently used for knowledge graph completion. Their black-box nature has motivated work that uses sound logical rules to explain predictions and characterise their expressivity. However, despite the prevalence of GNNs that use mean as an aggregation function, explainability and expressivity results are lacking for them. We consider GNNs with mean aggregation and non-negative weights (MAGNNs), proving the precise class of monotonic rules that can be sound for them, as well as providing a restricted fragment of first-order logic to explain any MAGNN prediction. Our experiments show that restricting mean-aggregation GNNs to have non-negative weights yields comparable or improved performance on standard inductive benchmarks, that sound rules are obtained in practice, that insightful explanations can be generated in practice, and that the sound rules can expose issues in the trained models.

General Machine Learning · Causality

Yushu Pan, Elias Bareinboim

The process of editing an image can be naturally modeled as evaluating a counterfactual query: “What would an image look like if a particular feature had changed?” While recent advances in text-guided image editing leverage powerful pre-trained models to produce visually appealing images, they often lack counterfactual consistency -- ignoring how features are causally related and how changing one may affect others. In contrast, existing causal-based editing approaches offer solid theoretical foundations and perform well in specific settings, but remain limited in scalability and often rely on labeled data. In this work, we aim to bridge the gap between causal editing and large-scale text-to-image generation through two main contributions. First, we introduce Backdoor Disentangled Causal Latent Space (BD-CLS), a new class of latent spaces that allows for the encoding of causal inductive biases. One desirable property of this latent space is that, even under weak supervision, it can be shown to exhibit counterfactual consistency. Second, and building on this result, we develop BD-CLS-Edit, an algorithm capable of learning a BD-CLS from a (non-causal) pre-trained Stable Diffusion model. This enables counterfactual image editing without retraining. Our method ensures that edits respect the causal relationships among features, even when some features are unlabeled or unprompted and the original latent space is oblivious to the environment’s underlying cause-and-effect relationships.

Probabilistic Methods · Bayesian Models and Methods

Hongshuo Yang, Elias Bareinboim

Graphical models have been widely used as parsimonious encoders of assumptions of the underlying causal system and provide a basis for causal inferences. Models encoding stronger constraints tend to require higher expressive power, which are also harder, and sometimes impossible to empirically falsify. In this paper, we introduce two new collections of distributions that include counterfactual quan- tities which are experimentally accessible under counterfactual randomizations. Correspondingly, we define two new classes of graphical models for encoding empirically testable constraints in these distributions. We further present a sound and complete calculus, based on counterfactual calculus, which licenses inferences in these two new models with rules that are within the empirically falsifiable bound- ary. Finally, we formulate a hierarchy over several graphical models based on the constraints they encode and study the fundamental trade-off between the expressive power and empirical falsifiability of different models across the hierarchy.

Deep Learning · Generative Models and Autoencoders

Tianyu Fu, Yi Ge, Yichen You, Enshu Liu, Zhihang Yuan, Guohao Dai, Shengen Yan, Huazhong Yang, Yu Wang

Large Language Models (LLMs) achieve impressive reasoning capabilities at the cost of substantial inference overhead, posing substantial deployment challenges. Although distilled Small Language Models (SLMs) significantly enhance efficiency, their performance suffers as they fail to follow LLMs' reasoning paths. Luckily, we reveal that only a small fraction of tokens genuinely diverge reasoning paths between LLMs and SLMs. Most generated tokens are either identical or exhibit neutral differences, such as minor variations in abbreviations or expressions. Leveraging this insight, we introduce **Roads to Rome (R2R)**, a neural token router that selectively utilizes LLMs only for these critical, path-divergent tokens, while leaving the majority of token generation to the SLM. We also develop an automatic data generation pipeline that identifies divergent tokens and generates token-level routing labels to train the lightweight router. We apply R2R to combine R1-1.5B and R1-32B models from the DeepSeek family, and evaluate on challenging math, coding, and QA benchmarks. With an average activated parameter size of 5.6B, R2R surpasses the average accuracy of R1-7B by 1.6×, outperforming even the R1-14B model. Compared to R1-32B, it delivers a 2.8× wall-clock speedup with comparable performance, advancing the Pareto frontier of test-time scaling efficiency.