OpenRaiser/Intern-Atlas huggingface dataset:
Patch-wise Structural Loss for Time Series Forecasting
Venue: Conference ICML 2025
Year: 2025

Time-series forecasting has gained significant attention in machine learning due to its crucial role in various domains. However, most existing forecasting models rely heavily on point-wise loss functions like Mean Square Error, which treat each time step independently and neglect the structural dependencies inherent in time series data, making it challenging to capture complex temporal patterns accurately. To address these challenges, we propose a novel Patch-wise Structural (PS) loss, designed to enhance structural alignment by comparing time series at the patch level. Through leveraging local statistical properties, such as correlation, variance, and mean, PS loss captures nuanced structural discrepancies overlooked by traditional point-wise losses. Furthermore, it integrates seamlessly with point-wise loss, simultaneously addressing local structural inconsistencies and individual time-step errors. PS loss establishes a novel benchmark for accurately modeling complex time series data and provides a new perspective on time series loss function design. Extensive experiments demonstrate that PS loss significantly improves the performance of state-of-the-art models across diverse real-world datasets.
Optimizing Social Network Interventions via Hypergradient-Based Recommender System Design
Venue: Conference ICML 2025
Year: 2025

Although social networks have expanded the range of ideas and information accessible to users, they are also criticized for amplifying the polarization of user opinions. Given the inherent complexity of these phenomena, existing approaches to counteract these effects typically rely on handcrafted algorithms and heuristics. We propose an elegant solution: we act on the network weights that model user interactions on social networks (e.g., frequency of communication), to optimize a performance metric (e.g., polarization reduction), while users' opinions follow the classical Friedkin-Johnsen model. Our formulation gives rise to a challenging large-scale optimization problem with non-convex constraints, for which we develop a gradient-based algorithm. Our scheme is simple, scalable, and versatile, as it can readily integrate different, potentially non-convex, objectives. We demonstrate its merit by: (i) rapidly solving complex social network intervention problems with 3 million variables based on the Reddit and DBLP datasets; (ii) significantly outperforming competing approaches in terms of both computation time and disagreement reduction.
Mitigating Heterogeneous Token Overfitting in LLM Knowledge Editing
Venue: Conference ICML 2025
Year: 2025

Large language models (LLMs) have achieved remarkable performance on various natural language tasks. However, they are trained on static corpora and their knowledge can become outdated quickly in the fast-changing world. This motivates the development of knowledge editing (KE) to update specific knowledge in LLMs without changing unrelated others or compromising their pre-trained capabilities. Previous efforts sought to update a small amount of parameters of a LLM and proved effective for making selective updates. Nonetheless, the edited LLM often exhibits degraded ability to reason about the new knowledge. In this work, we identify a key issue: heterogeneous token overfitting (HTO), where the LLM overfits different tokens in the provided knowledge at varying rates. To tackle this, we propose OVERTONE, a token-level smoothing method that mitigates HTO by adaptively refining the target distribution. Theoretically, OVERTONE offers better parameter updates with negligible computation overhead. It also induces an implicit DPO but does not require preference data pairs. Extensive experiments across four editing methods, two LLMs, and diverse scenarios demonstrate the effectiveness and versatility of our method.
Weisfeiler and Leman Go Gambling: Why Expressive Lottery Tickets Win
Venue: Conference ICML 2025
Year: 2025

The lottery ticket hypothesis (LTH) is well-studied for convolutional neural networks but has been validated only empirically for graph neural networks (GNNs), for which theoretical findings are largely lacking. In this paper, we identify the expressivity of sparse subnetworks, i.e. their ability to distinguish non-isomorphic graphs, as crucial for finding winning tickets that preserve the predictive performance. We establish conditions under which the expressivity of a sparsely initialized GNN matches that of the full network, particularly when compared to the Weisfeiler-Leman test, and in that context put forward and prove a Strong Expressive Lottery Ticket Hypothesis. We subsequently show that an increased expressivity in the initialization potentially accelerates model convergence and improves generalization. Our findings establish novel theoretical foundations for both LTH and GNN research, highlighting the importance of maintaining expressivity in sparsely initialized GNNs. We illustrate our results using examples from drug discovery.
QuRe: Query-Relevant Retrieval through Hard Negative Sampling in Composed Image Retrieval
Venue: Conference ICML 2025
Year: 2025

Composed Image Retrieval (CIR) retrieves relevant images based on a reference image and accompanying text describing desired modifications. However, existing CIR methods only focus on retrieving the target image and disregard the relevance of other images. This limitation arises because most methods employing contrastive learning-which treats the target image as positive and all other images in the batch as negatives-can inadvertently include false negatives. This may result in retrieving irrelevant images, reducing user satisfaction even when the target image is retrieved. To address this issue, we propose Query-Relevant Retrieval through Hard Negative Sampling (QuRe), which optimizes a reward model objective to reduce false negatives. Additionally, we introduce a hard negative sampling strategy that selects images positioned between two steep drops in relevance scores following the target image, to effectively filter false negatives. In order to evaluate CIR models on their alignment with human satisfaction, we create Human-Preference FashionIQ (HP-FashionIQ), a new dataset that explicitly captures user preferences beyond target retrieval. Extensive experiments demonstrate that QuRe achieves state-of-the-art performance on FashionIQ and CIRR datasets while exhibiting the strongest alignment with human preferences on the HP-FashionIQ dataset. The source code is available at https://github.com/jackwaky/QuRe.
Fairness Overfitting in Machine Learning: An Information-Theoretic Perspective
Venue: Conference ICML 2025
Year: 2025

Despite substantial progress in promoting fairness in high-stake applications using machine learning models, existing methods often modify the training process, such as through regularizers or other interventions, but lack formal guarantees that fairness achieved during training will generalize to unseen data. Although overfitting with respect to prediction performance has been extensively studied, overfitting in terms of fairness loss has received far less attention. This paper proposes a theoretical framework for analyzing fairness generalization error through an information-theoretic lens. Our novel bounding technique is based on Efron-Stein inequality, which allows us to derive tight information-theoretic fairness generalization bounds with both Mutual Information (MI) and Conditional Mutual Information (CMI). Our empirical results validate the tightness and practical relevance of these bounds across diverse fairness-aware learning algorithms. Our framework offers valuable insights to guide the design of algorithms improving fairness generalization.
High-Fidelity Simultaneous Speech-To-Speech Translation
Venue: Conference ICML 2025
Year: 2025

We introduce Hibiki, a decoder-only model for simultaneous speech translation. Hibiki leverages a multistream language model to synchronously process source and target speech, and jointly produces text and audio tokens to perform speech-to-text and speech-to-speech translation. We furthermore address the fundamental challenge of simultaneous interpretation, which unlike its consecutive counterpart, where one waits for the end of the source utterance to start translating, adapts its flow to accumulate just enough context to produce a correct translation in real-time, chunk by chunk. To do so, we introduce a weakly-supervised method that leverages the perplexity of an off-the-shelf text translation system to identify optimal delays on a per-word basis and create aligned synthetic data. After supervised training, Hibiki performs adaptive, simultaneous speech translation with vanilla temperature sampling. On a French-English simultaneous speech translation task, Hibiki demonstrates state-of-the-art performance in translation quality, speaker fidelity and naturalness. Moreover, the simplicity of its inference process makes it compatible with batched translation and even real-time on-device deployment. We provide examples as well as models and inference code.
Dynamic Similarity Graph Construction with Kernel Density Estimation
Venue: Conference ICML 2025
Year: 2025

In the kernel density estimation (KDE) problem, we are given a set $X$ of data points in $\mathbb{R}^d$, a kernel function $k: \mathbb{R}^d \times \mathbb{R}^d \rightarrow \mathbb{R}$, and a query point $\mathbf{q} \in \mathbb{R}^d$, and the objective is to quickly output an estimate of $\sum_{\mathbf{x} \in X} k(\mathbf{q}, \mathbf{x})$. In this paper, we consider $\textsf{KDE}$ in the dynamic setting, and introduce a data structure that efficiently maintains the estimates for a set of query points as data points are added to $X$ over time. Based on this, we design a dynamic data structure that maintains a sparse approximation of the fully connected similarity graph on $X$, and develop a fast dynamic spectral clustering algorithm. We further evaluate the effectiveness of our algorithms on both synthetic and real-world datasets.
On the Emergence of Position Bias in Transformers
Venue: Conference ICML 2025
Year: 2025

Recent studies have revealed various manifestations of position bias in transformer architectures, from the "lost-in-the-middle" phenomenon to attention sinks, yet a comprehensive theoretical understanding of how attention masks and positional encodings shape these biases remains elusive. This paper presents a graph-theoretic framework for analyzing position bias in multi-layer attention. Modeling attention masks as directed graphs, we quantify how tokens interact with contextual information based on their sequential positions. We uncover two key insights: First, causal masking inherently biases attention toward earlier positions, as tokens in deeper layers attend to increasingly more contextualized representations of earlier tokens. Second, we characterize the competing effects of the causal mask and relative positional encodings, such as the decay mask and rotary positional encoding (RoPE): while both mechanisms introduce distance-based decay within individual attention maps, their aggregate effect across multiple attention layers$\unicode{x2013}$coupled with the causal mask$\unicode{x2013}$leads to a trade-off between the long-term decay effects and the cumulative importance of early sequence positions. Through controlled numerical experiments, we not only validate our theoretical findings but also reproduce position biases observed in real-world LLMs. Our framework offers a principled foundation for understanding positional biases in transformers, shedding light on the complex interplay of attention mechanism components and guiding more informed architectural design.
Joint Localization and Activation Editing for Low-Resource Fine-Tuning
Venue: Conference ICML 2025
Year: 2025

Parameter-efficient fine-tuning (PEFT) methods, such as LoRA, are commonly used to adapt LLMs. However, the effectiveness of standard PEFT methods is limited in low-resource scenarios with only a few hundred examples. Recent advances in interpretability research have inspired the emergence of activation editing (or steering) techniques, which modify the activations of specific model components. Due to their extremely small parameter counts, these methods show promise for small datasets. However, their performance is highly dependent on identifying the correct modules to edit and often lacks stability across different datasets. In this paper, we propose Joint Localization and Activation Editing (JoLA), a method that jointly learns (1) which heads in the Transformer to edit (2) whether the intervention should be additive, multiplicative, or both and (3) the intervention parameters themselves - the vectors applied as additive offsets or multiplicative scalings to the head output. Through evaluations on three benchmarks spanning commonsense reasoning, natural language understanding, and natural language generation, we demonstrate that JoLA consistently outperforms existing methods. The code for the method is released at https://github.com/wenlai-lavine/jola.
Enhancing Certified Robustness via Block Reflector Orthogonal Layers and Logit Annealing Loss
Venue: Conference ICML 2025
Year: 2025

Lipschitz neural networks are well-known for providing certified robustness in deep learning. In this paper, we present a novel, efficient Block Reflector Orthogonal (BRO) layer that enhances the capability of orthogonal layers on constructing more expressive Lipschitz neural architectures. In addition, by theoretically analyzing the nature of Lipschitz neural networks, we introduce a new loss function that employs an annealing mechanism to increase margin for most data points. This enables Lipschitz models to provide better certified robustness. By employing our BRO layer and loss function, we design BRONet - a simple yet effective Lipschitz neural network that achieves state-of-the-art certified robustness. Extensive experiments and empirical analysis on CIFAR-10/100, Tiny-ImageNet, and ImageNet validate that our method outperforms existing baselines. The implementation is available at https://github.com/ntuaislab/BRONet.
AssistanceZero: Scalably Solving Assistance Games
Venue: Conference ICML 2025
Year: 2025

Assistance games are a promising alternative to reinforcement learning from human feedback (RLHF) for training AI assistants. Assistance games resolve key drawbacks of RLHF, such as incentives for deceptive behavior, by explicitly modeling the interaction between assistant and user as a two-player game where the assistant cannot observe their shared goal. Despite their potential, assistance games have only been explored in simple settings. Scaling them to more complex environments is difficult because it requires both solving intractable decision-making problems under uncertainty and accurately modeling human users' behavior. We present the first scalable approach to solving assistance games and apply it to a new, challenging Minecraft-based assistance game with over $10^{400}$ possible goals. Our approach, AssistanceZero, extends AlphaZero with a neural network that predicts human actions and rewards, enabling it to plan under uncertainty. We show that AssistanceZero outperforms model-free RL algorithms and imitation learning in the Minecraft-based assistance game. In a human study, our AssistanceZero-trained assistant significantly reduces the number of actions participants take to complete building tasks in Minecraft. Our results suggest that assistance games are a tractable framework for training effective AI assistants in complex environments. Our code and models are available at https://github.com/cassidylaidlaw/minecraft-building-assistance-game.
Focus On This, Not That! Steering LLMs with Adaptive Feature Specification
Venue: Conference ICML 2025
Year: 2025

Despite the success of Instruction Tuning (IT) in training large language models (LLMs), such models often leverage spurious or biased features learnt from their training data and can become misaligned, leading to undesired behaviours. While existing techniques can steer model behaviour at inference-time, they are often post-hoc and do not embed steering as an intrinsic model feature. In this work, we introduce Focus Instruction Tuning (FIT), which trains LLMs to condition their responses by focusing on specific features whilst ignoring others, leading to different behaviours based on what features are specified. Across diverse benchmarks, we demonstrate that FIT: (i) successfully steers behaviour at inference time; (ii) increases robustness by amplifying core task signals and down-weighting spurious cues; (iii) mitigates social bias by suppressing demographic attributes; and (iv) generalises under distribution shifts and to previously unseen focus features. FIT therefore offers a lightweight, intrinsic mechanism for building more robust, fair, and easily controllable LLMs.
A Theoretical Justification for Asymmetric Actor-Critic Algorithms
Venue: Conference ICML 2025
Year: 2025

In reinforcement learning for partially observable environments, many successful algorithms have been developed within the asymmetric learning paradigm. This paradigm leverages additional state information available at training time for faster learning. Although the proposed learning objectives are usually theoretically sound, these methods still lack a precise theoretical justification for their potential benefits. We propose such a justification for asymmetric actor-critic algorithms with linear function approximators by adapting a finite-time convergence analysis to this setting. The resulting finite-time bound reveals that the asymmetric critic eliminates error terms arising from aliasing in the agent state.
Liger: Linearizing Large Language Models to Gated Recurrent Structures
Venue: Conference ICML 2025
Year: 2025

Transformers with linear recurrent modeling offer linear-time training and constant-memory inference. Despite their demonstrated efficiency and performance, pretraining such non-standard architectures from scratch remains costly and risky. The linearization of large language models (LLMs) transforms pretrained standard models into linear recurrent structures, enabling more efficient deployment. However, current linearization methods typically introduce additional feature map modules that require extensive fine-tuning and overlook the gating mechanisms used in state-of-the-art linear recurrent models. To address these issues, this paper presents Liger, short for Linearizing LLMs to gated recurrent structures. Liger is a novel approach for converting pretrained LLMs into gated linear recurrent models without adding extra parameters. It repurposes the pretrained key matrix weights to construct diverse gating mechanisms, facilitating the formation of various gated recurrent structures while avoiding the need to train additional components from scratch. Using lightweight fine-tuning with Low-Rank Adaptation (LoRA), Liger restores the performance of the linearized gated recurrent models to match that of the original LLMs. Additionally, we introduce Liger Attention, an intra-layer hybrid attention mechanism, which significantly recovers 93\% of the Transformer-based LLM at 0.02\% pre-training tokens during the linearization process, achieving competitive results across multiple benchmarks, as validated on models ranging from 1B to 8B parameters. Code is available at https://github.com/OpenSparseLLMs/Linearization.
Near-optimal Regret Using Policy Optimization in Online MDPs with Aggregate Bandit Feedback
Venue: Conference ICML 2025
Year: 2025

We study online finite-horizon Markov Decision Processes with adversarially changing loss and aggregate bandit feedback (a.k.a full-bandit). Under this type of feedback, the agent observes only the total loss incurred over the entire trajectory, rather than the individual losses at each intermediate step within the trajectory. We introduce the first Policy Optimization algorithms for this setting. In the known-dynamics case, we achieve the first \textit{optimal} regret bound of $\tilde Θ(H^2\sqrt{SAK})$, where $K$ is the number of episodes, $H$ is the episode horizon, $S$ is the number of states, and $A$ is the number of actions. In the unknown dynamics case we establish regret bound of $\tilde O(H^3 S \sqrt{AK})$, significantly improving the best known result by a factor of $H^2 S^5 A^2$.
Analyze Feature Flow to Enhance Interpretation and Steering in Language Models
Venue: Conference ICML 2025
Year: 2025

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.
Adaptive kernel predictors from feature-learning infinite limits of neural networks
Venue: Conference ICML 2025
Year: 2025

Previous influential work showed that infinite width limits of neural networks in the lazy training regime are described by kernel machines. Here, we show that neural networks trained in the rich, feature learning infinite-width regime in two different settings are also described by kernel machines, but with data-dependent kernels. For both cases, we provide explicit expressions for the kernel predictors and prescriptions to numerically calculate them. To derive the first predictor, we study the large-width limit of feature-learning Bayesian networks, showing how feature learning leads to task-relevant adaptation of layer kernels and preactivation densities. The saddle point equations governing this limit result in a min-max optimization problem that defines the kernel predictor. To derive the second predictor, we study gradient flow training of randomly initialized networks trained with weight decay in the infinite-width limit using dynamical mean field theory (DMFT). The fixed point equations of the arising DMFT defines the task-adapted internal representations and the kernel predictor. We compare our kernel predictors to kernels derived from lazy regime and demonstrate that our adaptive kernels achieve lower test loss on benchmark datasets.
Understanding Fixed Predictions via Confined Regions
Venue: Conference ICML 2025
Year: 2025

Machine learning models can assign fixed predictions that preclude individuals from changing their outcome. Existing approaches to audit fixed predictions do so on a pointwise basis, which requires access to an existing dataset of individuals and may fail to anticipate fixed predictions in out-of-sample data. This work presents a new paradigm to identify fixed predictions by finding confined regions of the feature space in which all individuals receive fixed predictions. This paradigm enables the certification of recourse for out-of-sample data, works in settings without representative datasets, and provides interpretable descriptions of individuals with fixed predictions. We develop a fast method to discover confined regions for linear classifiers using mixed-integer quadratically constrained programming. We conduct a comprehensive empirical study of confined regions across diverse applications. Our results highlight that existing pointwise verification methods fail to anticipate future individuals with fixed predictions, while our method both identifies them and provides an interpretable description.