ICLR 2025 论文列表

Effective communication is an essential component in collaborative multi-agent systems. Situations where explicit messaging is not feasible have been common in human society throughout history, which motivate the study of implicit communication. Previous works on learning implicit communication mostly rely on theory of mind (ToM), where agents infer the mental states and intentions of others by interpreting their actions. However, ToM-based methods become less effective in making accurate inferences in complex tasks. In this work, we propose the Implicit Channel Protocol (ICP) framework, which allows agents to communicate through implicit communication channels similar to the explicit ones. ICP leverages a subset of actions, denoted as the scouting actions, and a mapping between information and these scouting actions that encodes and decodes the messages. We propose training algorithms for agents to message and act, including learning with a randomly initialized information map and with a delayed information map. The efficacy of ICP has been tested on the tasks of Guessing Numbers, Revealing Goals, and Hanabi, where ICP significantly outperforms baseline methods through more efficient information transmission.

Multiview Structure from Motion is a fundamental and challenging computer vision problem. A recent deep-based approach utilized matrix equivariant architectures for simultaneous recovery of camera pose and 3D scene structure from large image collections. That work, however, made the unrealistic assumption that the point tracks given as input are almost clean of outliers. Here, we propose an architecture suited to dealing with outliers by adding a multiview inlier/outlier classification module that respects the model equivariance and by utilizing a robust bundle adjustment step. Experiments demonstrate that our method can be applied successfully in realistic settings that include large image collections and point tracks extracted with common heuristics that include many outliers, achieving state-of-the-art accuracies in almost all runs, superior to existing deep-based methods and on-par with leading classical (non-deep) sequential and global methods.

People interact with the real-world largely dependent on visual signal, which are ubiquitous and illustrate detailed demonstrations. In this paper, we explore utilizing visual signals as a new interface for models to interact with the environment. Specifically, we choose videos as a representative visual signal. And by training autoregressive Transformers on video datasets in a self-supervised objective, we find that the model emerges a zero-shot capability to infer the semantics from a demonstration video, and imitate the semantics to an unseen scenario. This allows the models to perform unseen tasks by watching the demonstration video in an in-context manner, without further fine-tuning. To validate the imitation capacity, we design various evaluation metrics including both objective and subjective measures. The results show that our models can generate high-quality video clips that accurately align with the semantic guidance provided by the demonstration videos, and we also show that the imitation capacity follows the scaling law.

Large language models (LLMs) have brought significant changes to many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the temporal adaptability of knowledge, often relying on a fixed time-point view. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., personal history, scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating LLMs' non-parametric chronological knowledge. Our evaluation led to the following observations: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that it successfully recalls objects across both open-source and proprietary LLMs, demonstrating versatility, though it faces challenges with dynamic datasets and unstructured formats.

Contrastive learning models have demonstrated impressive abilities to capture semantic similarities by aligning representations in the embedding space. However, their performance can be limited by the quality of the training data and its inherent biases. While Preference Optimization (PO) methods such as Reinforcement Learning from Human Feedback (RLHF) and Direct Preference Optimization (DPO) have been applied to align generative models with human preferences, their use in contrastive learning has yet to be explored. This paper introduces a novel method for training contrastive learning models using different PO methods to break down complex concepts. Our method systematically aligns model behavior with desired preferences, enhancing performance on the targeted task. In particular, we focus on enhancing model robustness against typographic attacks and inductive biases, commonly seen in contrastive vision-language models like CLIP. Our experiments demonstrate that models trained using PO outperform standard contrastive learning techniques while retaining their ability to handle adversarial challenges and maintain accuracy on other downstream tasks. This makes our method well-suited for tasks requiring fairness, robustness, and alignment with specific preferences. We evaluate our method for tackling typographic attacks on images and explore its ability to disentangle gender concepts and mitigate gender bias, showcasing the versatility of our approach.

Multi-objective optimization (MOO) is receiving more attention in various fields such as multi-task learning. Recent works provide some effective algorithms with theoretical analysis but they are limited by the standard $L$-smooth or bounded-gradient assumptions, which typically do not hold for neural networks, such as Long short-term memory (LSTM) models and Transformers. In this paper, we study a more general and realistic class of generalized $\ell$-smooth loss functions, where $\ell$ is a general non-decreasing function of gradient norm. We revisit and analyze the fundamental multiple gradient descent algorithm (MGDA) and its stochastic version with double sampling for solving the generalized $\ell$-smooth MOO problems, which approximate the conflict-avoidant (CA) direction that maximizes the minimum improvement among objectives. We provide a comprehensive convergence analysis of these algorithms and show that they converge to an $\epsilon$-accurate Pareto stationary point with a guaranteed $\epsilon$-level average CA distance (i.e., the gap between the updating direction and the CA direction) over all iterations, where totally $\mathcal{O}(\epsilon^{-2})$ and $\mathcal{O}(\epsilon^{-4})$ samples are needed for deterministic and stochastic settings, respectively. We prove that they can also guarantee a tighter $\epsilon$-level CA distance in each iteration using more samples. Moreover, we analyze an efficient variant of MGDA named MGDA-FA using only $\mathcal{O}(1)$ time and space, while achieving the same performance guarantee as MGDA.

Large language models (LLMs) with decoder-only architectures have demonstrated exceptional text-generation capabilities across a variety of tasks. Some researchers have also adapted these models for text representation tasks. However, in text representation tasks, these models often face performance degradation on unseen tasks. In-context learning (ICL), which leverages examples provided in the input context, enables LLMs to handle unseen tasks effectively. Inspired by this, we aim to fully utilize the inherent properties of LLMs to enhance text representation performance across different tasks through the ICL approach. In this paper, we introduce a simple yet effective training strategy, which significantly improves text representation capabilities. Unlike previous models that prepend task instructions to the text, our method randomly samples a varying number of examples during training, endowing the embedding model with in-context learning abilities while maintaining its zero-shot capabilities. This approach does not require additional data construction or modifications to the model architecture. On the contrary, we find that some popular modifications to the model, such as bidirectional attention, can degrade performance, undermining the inherent characteristics of LLMs. We have publicly released our method at this \href{https://github.com/FlagOpen/FlagEmbedding}{repo}.

Transformers and many other deep learning models are empirically shown to predictably enhance their performance as a power law in training time, model size, or the number of training data points, which is termed as the neural scaling law. This paper studies this intriguing phenomenon particularly for the transformer architecture in theoretical setups. Specifically, we propose a framework for linear self-attention, the underpinning block of transformer without softmax, to learn in an in-context manner, where the corresponding learning dynamics is modeled as a non-linear ordinary differential equation (ODE) system. Furthermore, we establish a procedure to derive a tractable approximate solution for this ODE system by reformulating it as a *Riccati equation*, which allows us to precisely characterize neural scaling laws for linear self-attention with training time, model size, data size, and the optimal compute. In addition, we reveal that the linear self-attention shares similar neural scaling laws with several other architectures when the context sequence length of the in-context learning is fixed, otherwise it would exhibit a different scaling law of training time.

The increasing scale of graph datasets significantly enhances deep learning models but also presents substantial training challenges. Graph dataset condensation has emerged to condense large datasets into smaller yet informative ones that maintain similar test performance. However, these methods require downstream usage to match the original dataset and task, which is impractical in real-world scenarios. Our empirical studies show that existing methods fail in "cross-task" and "cross-dataset" scenarios, often performing worse than training from scratch. To address these challenges, we propose a novel method: Self-supervised and Transferable Graph dataset Condensation (ST-GCond). For cross-task transferability, we propose a task-disentangled meta optimization strategy to adaptively update the condensed graph according to the task relevance, encouraging information preservation for various tasks. For cross-dataset transferability, we propose a multi-teacher self-supervised optimization strategy to incorporate auxiliary self-supervised tasks to inject universal knowledge into the condensed graph. Additionally, we incorporate mutual information guided joint condensation mitigating the potential conflicts and ensure the condensing stability. Experiments on both node-level and graph-level datasets show that ST-GCond outperforms existing methods by 2.5% to 18.7% in all cross-task and cross-dataset scenarios, and also achieves state-of-the-art performance on 5 out of 6 datasets in the single dataset and task scenario.

This paper presents a novel approach to address the challenge of online sequence learning for decision making under uncertainty in non-stationary, partially observable environments. The proposed algorithm, Distributed Hebbian Temporal Memory (DHTM), is based on the factor graph formalism and a multi-component neuron model. DHTM aims to capture sequential data relationships and make cumulative predictions about future observations, forming Successor Features (SFs). Inspired by neurophysiological models of the neocortex, the algorithm uses distributed representations, sparse transition matrices, and local Hebbian-like learning rules to overcome the instability and slow learning of traditional temporal memory algorithms such as RNN and HMM. Experimental results show that DHTM outperforms LSTM, RWKV and a biologically inspired HMM-like algorithm, CSCG, on non-stationary data sets. Our results suggest that DHTM is a promising approach to address the challenges of online sequence learning and planning in dynamic environments.

It has been reported that LLMs can recognize their own writing. As this has potential implications for AI safety, yet is relatively understudied, we investigate the phenomenon, seeking to establish: whether it robustly occurs at the behavioral level, how the observed behavior is achieved, and whether it can be controlled. First, we find that the Llama3-8b–Instruct chat model - but not the base Llama3-8b model - can reliably distinguish its own outputs from those of humans, and present evidence that the chat model is likely using its experience with its own outputs, acquired during post-training, to succeed at the writing recognition task. Second, we identify a vector in the residual stream of the model that is differentially activated when the model makes a correct self-written-text recognition judgment, show that the vector activates in response to information relevant to self-authorship, present evidence that the vector is related to the concept of ``self'' in the model, and demonstrate that the vector is causally related to the model’s ability to perceive and assert self-authorship. Finally, we show that the vector can be used to control both the model’s behavior and its perception, steering the model to claim or disclaim authorship by applying the vector to the model’s output as it generates it, and steering the model to believe or disbelieve it wrote arbitrary texts by applying the vector to them as the model reads them.

A common characteristic in integer linear programs (ILPs) is symmetry, allowing variables to be permuted without altering the underlying problem structure. Recently, GNNs have emerged as a promising approach for solving ILPs. However, a significant challenge arises when applying GNNs to ILPs with symmetry: classic GNN architectures struggle to differentiate between symmetric variables, which limits their predictive accuracy. In this work, we investigate the properties of permutation equivalence and invariance in GNNs, particularly in relation to the inherent symmetry of ILP formulations. We reveal that the interaction between these two factors contributes to the difficulty of distinguishing between symmetric variables. To address this challenge, we explore the potential of feature augmentation and propose several guiding principles for constructing augmented features. Building on these principles, we develop an orbit-based augmentation scheme that first groups symmetric variables and then samples augmented features for each group from a discrete uniform distribution. Empirical results demonstrate that our proposed approach significantly enhances both training efficiency and predictive performance.

We present a novel framework, StochastIc Network Graph Evolving operatoR (SINGER), for learning the evolution operator of high-dimensional partial differential equations (PDEs). The framework uses a sub-network to approximate the solution at the initial time step and stochastically evolves the sub-network parameters over time by a graph neural network to approximate the solution at later time steps. The framework is designed to inherit the desirable properties of the parametric solution operator, including graph topology, semigroup, and stability, with a theoretical guarantee. Numerical experiments on 8 evolution PDEs of 5,10,15,20-dimensions show that our method outperforms existing baselines in almost all cases (31 out of 32), and that our method generalizes well to unseen initial conditions, equation dimensions, sub-network width, and time steps.

The computational and memory demands of vanilla attention scale quadratically with the sequence length $N$, posing significant challenges for processing long sequences in Transformer models. FlashAttention alleviates these challenges by eliminating the $\mathcal{O}(N^2)$ memory dependency and reducing attention latency through IO-aware memory optimizations. However, its native support for certain attention mask types is limited, and it does not inherently accommodate more complex masking requirements. Previous approaches resort to using dense masks with $\mathcal{O}(N^2)$ memory complexity, leading to inefficiencies. In this paper, we propose \ours{}, an extension of FlashAttention that introduces a column-wise sparse representation of attention masks. This approach efficiently represents a wide range of mask types and facilitates the development of optimized kernel implementations. By adopting this novel representation, \ours{} achieves linear memory complexity $\mathcal{O}(N)$, making it suitable for modeling long-context sequences. Moreover, this representation enables kernel optimizations that eliminate unnecessary computations by leveraging sparsity in the attention mask, without sacrificing computational accuracy, resulting in higher computational efficiency. We evaluate \ours{}'s performance in fine-tuning and alignment training of LLMs such as SFT, LoRA, DPO, and RM. \ours{} achieves significant throughput improvements, with end-to-end speedups ranging from 1.65x to 3.22x compared to existing FlashAttention dense method. Additionally, our kernel-level comparisons demonstrate that \ours{} surpasses the latest counterpart, FlexAttention, by 12.1\% to 60.7\% in terms of kernel TFLOPs/s, achieving 37.8\% to 62.3\% of the theoretical maximum FLOPs/s on the A100 GPU. The code is open-sourced on PaddlePaddle\footnote{\url{https://github.com/PaddlePaddle/Paddle}} and integrated into PaddleNLP\footnote{\url{https://github.com/PaddlePaddle/PaddleNLP}}, supporting models with over 100 billion parameters for contexts extending up to 128K tokens.

The imperative to eliminate undesirable data memorization underscores the significance of machine unlearning for large language models (LLMs). Recent research has introduced a series of promising unlearning methods, notably boosting the practical significance of the field. Nevertheless, adopting a proper evaluation framework to reflect the true unlearning efficacy is also essential yet has not received adequate attention. This paper seeks to improve the evaluation of LLM unlearning by addressing two key challenges---a) the robustness of evaluation metrics and b) the trade-offs between competing goals. The first challenge stems from findings that current metrics are susceptible to various red teaming scenarios. It indicates that they may not reflect the true extent of knowledge retained by LLMs but rather tend to mirror superficial model behaviors, thus prone to attacks. We address this issue by devising and assessing a series of candidate metrics, selecting the most robust ones under various types of attacks. The second challenge arises from the conflicting goals of eliminating unwanted knowledge while retaining those of others. This trade-off between unlearning and retention often fails to conform the Pareto frontier, rendering it subtle to compare the efficacy between methods that excel only in either unlearning or retention. We handle this issue by proposing a calibration method that can restore the original performance on non-targeted data after unlearning, thereby allowing us to focus exclusively on assessing the strength of unlearning. Our evaluation framework notably enhances the effectiveness when assessing and comparing various LLM unlearning methods, further allowing us to benchmark existing works, identify their proper hyper-parameters, and explore new tricks to enhance their practical efficacy.

Large language models (LLMs) pose significant risks due to the potential for generating harmful content or users attempting to evade guardrails. Existing studies have developed LLM-based guard models designed to moderate the input and output of threat LLMs, ensuring adherence to safety policies by blocking content that violates these protocols upon deployment. However, limited attention has been given to the reliability and calibration of such guard models. In this work, we empirically conduct comprehensive investigations of confidence calibration for 9 existing LLM-based guard models on 12 benchmarks in both user input and model output classification. Our findings reveal that current LLM-based guard models tend to 1) produce overconfident predictions, 2) exhibit significant miscalibration when subjected to jailbreak attacks, and 3) demonstrate limited robustness to the outputs generated by different types of response models. Additionally, we assess the effectiveness of post-hoc calibration methods to mitigate miscalibration. We demonstrate the efficacy of temperature scaling and, for the first time, highlight the benefits of contextual calibration for confidence calibration of guard models, particularly in the absence of validation sets. Our analysis and experiments underscore the limitations of current LLM-based guard models and provide valuable insights for the future development of well-calibrated guard models toward more reliable content moderation. We also advocate for incorporating reliability evaluation of confidence calibration when releasing future LLM-based guard models.

Real-world time series often have multiple frequency components that are intertwined with each other, making accurate time series forecasting challenging. Decomposing the mixed frequency components into multiple single frequency components is a natural choice. However, the information density of patterns varies across different frequencies, and employing a uniform modeling approach for different frequency components can lead to inaccurate characterization. To address this challenges, inspired by the flexibility of the recent Kolmogorov-Arnold Network (KAN), we propose a KAN-based Frequency Decomposition Learning architecture (TimeKAN) to address the complex forecasting challenges caused by multiple frequency mixtures. Specifically, TimeKAN mainly consists of three components: Cascaded Frequency Decomposition (CFD) blocks, Multi-order KAN Representation Learning (M-KAN) blocks and Frequency Mixing blocks. CFD blocks adopt a bottom-up cascading approach to obtain series representations for each frequency band. Benefiting from the high flexibility of KAN, we design a novel M-KAN block to learn and represent specific temporal patterns within each frequency band. Finally, Frequency Mixing blocks is used to recombine the frequency bands into the original format. Extensive experimental results across multiple real-world time series datasets demonstrate that TimeKAN achieves state-of-the-art performance as an extremely lightweight architecture. Code is available at https://github.com/huangst21/TimeKAN.

We propose Step-by-Step Coding (SBSC): a multi-turn math reasoning framework that enables Large Language Models (LLMs) to generate sequence of programs for solving Olympiad level math problems. After each turn/step, by leveraging the code execution outputs and programs of previous steps, the model generates the next sub-task and the corresponding program to complete it. This way, SBSC, sequentially navigates to reach the final answer. SBSC allows more granular, flexible and precise approach to problem-solving compared to existing methods. Extensive experiments highlight the effectiveness of SBSC in tackling competition and Olympiad-level math problems. For Claude-3.5-Sonnet, we observe SBSC (greedy decoding) surpasses existing state-of-the-art (SOTA) program generation based reasoning strategies by absolute 10.7% on AMC12, 8% on AIME and 12.6% on MathOdyssey. Given SBSC is multi-turn in nature, we also benchmark SBSC’s greedy decoding against self- consistency decoding results of existing SOTA math reasoning strategies and observe performance gain by absolute 6.2% on AMC, 6.7% on AIME and 7.4% on MathOdyssey.

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular data. We explore generative extensions of these popular algorithms with a focus on explicitly modeling the data density (up to a normalization constant), thus enabling other applications besides sampling. As our main contribution we propose an energy-based generative boosting algorithm that is analogous to the second-order boosting implemented in popular libraries like XGBoost. We show that, despite producing a generative model capable of handling inference tasks over any input variable, our proposed algorithm can achieve similar discriminative performance to GBDT on a number of real world tabular datasets, outperforming alternative generative approaches. At the same time, we show that it is also competitive with neural-network-based models for sampling. Code is available at https://github.com/ajoo/nrgboost.