ICLR 2025 论文列表

The stability of language model pre-training and its effects on downstream performance are still understudied. Prior work shows that the training process can yield significantly different results in response to slight variations in initial conditions, e.g., the random seed. Crucially, the research community still lacks sufficient resources and tools to systematically investigate pre-training stability, particularly for decoder-only language models. We introduce the PolyPythias, a set of 45 new training runs for the Pythia model suite: 9 new seeds across 5 model sizes, from 14M to 410M parameters, resulting in about 7k new checkpoints that we release. Using these new 45 training runs, in addition to the 5 already available, we study the effects of different initial conditions determined by the seed---i.e., parameters' initialisation and data order---on (i) downstream performance, (ii) learned linguistic representations, and (iii) emergence of training phases. In addition to common scaling behaviours, our analyses generally reveal highly consistent training dynamics across both model sizes and initial conditions. Further, the new seeds for each model allow us to identify outlier training runs and delineate their characteristics. Our findings show the potential of using these methods to predict training stability.

In cognition theory, human thinking is governed by two systems: the fast and intuitive System 1 and the slower but more deliberative System 2. Analogously, Large Language Models (LLMs) can operate in two reasoning modes: outputting only the solutions (\emph{fast mode}) or both the reasoning chain and the final solution (\emph{slow mode}). We present \dualformer, a single Transformer model that seamlessly integrates both the fast and slow reasoning modes by training on randomized reasoning traces, where different parts of the traces are strategically dropped during training. At inference time, \dualformer can be easily configured to execute in either fast or slow mode, or automatically decide which mode to engage (\emph{auto mode}). It outperforms baselines in both performance and computational efficiency across all three modes: \textbf{(1)} in slow mode, \dualformer achieves $97.6\%$ optimal rate on unseen $30 \times 30$ maze tasks, surpassing the \searchformer baseline (93.3\%) trained on data with complete reasoning traces, with $45.5\%$ fewer reasoning steps; \textbf{(2)} in fast mode, \dualformer achieves $80\%$ optimal rate, significantly outperforming the Solution-Only model trained on solution-only data, which has an optimal rate of only 30\%; \textbf{(3)} in auto mode, \dualformer achieves $96.6\%$ optimal rate with $59.9\%$ fewer steps than \searchformer. For math reasoning problems, our techniques have also achieved improved performance with LLM fine-tuning, demonstrating its generalization beyond task-specific models. We open source our code at https://github.com/facebookresearch/dualformer.

Noisy linear structural causal models (SCMs) in the presence of confounding variables are known to be identifiable if all confounding and noise variables are non-Gaussian and unidentifiable if all are Gaussian. The identifiability when only some are Gaussian remains concealed. We show that, in the presence of Gaussian noise, a linear SCM is uniquely identifiable provided that \emph{(i)} the number of confounders is at most the number of the observed variables, \emph{(ii)} the confounders do not have a Gaussian component, and \emph{(iii)} the causal structure of the SCM is known. If the third condition is relaxed, the SCM becomes finitely identifiable; more specifically, it belongs to a set of at most $n!$ linear SCMS, where $n$ is the number of observed variables. The confounders in all of these $n!$ SCMs share the same joint probability distribution function (PDF), which we obtain analytically. For the case where both the noise and confounders are Gaussian, we provide further insight into the existing counter-example-based unidentifiability result and demonstrate that every SCM with confounders can be represented as an SCM without confounders but with the same joint PDF.

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper refinement. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves promising performance with a 26.89\% reduction in mean absolute error (MAE) compared to individual human reviewers in predicting paper scores, indicating the potential of LLMs to effectively assist expert-level research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, showing some competitiveness in terms of simulated review scores compared to the preprint level of 5.24 from human experts, while still having room for improvement compared to the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and exploring AI-driven research capabilities. The code, dataset and model weight are released at https://wengsyx.github.io/Researcher.

Tabular data generation has recently attracted a growing interest due to its different application scenarios. However, generating time series of tabular data, where each element of the series depends on the others, remains a largely unexplored domain. This gap is probably due to the difficulty of jointly solving different problems, the main of which are the heterogeneity of tabular data (a problem common to non-time-dependent approaches) and the variable length of a time series. In this paper, we propose a Diffusion Transformers (DiTs) based approach for tabular data series generation. Inspired by the recent success of DiTs in image and video generation, we extend this framework to deal with heterogeneous data and variable-length sequences. Using extensive experiments on six datasets, we show that the proposed approach outperforms previous work by a large margin.

Jailbreak attacks serve as essential red-teaming tools, proactively assessing whether LLMs can behave responsibly and safely in adversarial environments. Despite diverse strategies (e.g., cipher, low-resource language, persuasions, and so on) that have been proposed and shown success, these strategies are still manually designed, limiting their scope and effectiveness as a red-teaming tool. In this paper, we propose AutoDAN-Turbo, a black-box jailbreak method that can automatically discover as many jailbreak strategies as possible from scratch, without any human intervention or predefined scopes (e.g., specified candidate strategies), and use them for red-teaming. As a result, AutoDAN-Turbo can significantly outperform baseline methods, achieving a 74.3% higher average attack success rate on public benchmarks. Notably, AutoDAN-Turbo achieves an 88.5 attack success rate on GPT-4-1106-turbo. In addition, AutoDAN-Turbo is a unified framework that can incorporate existing human-designed jailbreak strategies in a plug-and-play manner. By integrating human-designed strategies, AutoDAN-Turbo can even achieve a higher attack success rate of 93.4 on GPT-4-1106-turbo.

Preferences within a group of people are not uniform but follow a distribution. While existing alignment methods like Direct Preference Optimization (DPO) attempt to steer models to reflect human preferences, they struggle to capture the distributional pluralistic preferences within a group. These methods often skew toward dominant preferences, overlooking the diversity of opinions, especially when conflicting preferences arise. To address this issue, we propose Group Distributional Preference Optimization (GDPO), a novel framework that aligns language models with the distribution of preferences within a group by incorporating the concept of beliefs that shape individual preferences. GDPO calibrates a language model using statistical estimation of the group's belief distribution and aligns the model with belief-conditioned preferences, offering a more inclusive alignment framework than traditional methods. In experiments using both synthetic controllable opinion generation and real-world movie review datasets, we show that DPO fails to align with the targeted belief distributions, while GDPO consistently reduces this alignment gap during training. Additionally, our evaluation metrics demonstrate that GDPO outperforms existing approaches in aligning with group distributional preferences, marking a significant advance in pluralistic alignment.

In this paper, we present the Draw-and-Understand framework, exploring how to integrate visual prompting understanding capabilities into Multimodal Large Language Models (MLLMs). Visual prompts allow users to interact through multi-modal instructions, enhancing the models' interactivity and fine-grained image comprehension. In this framework, we propose a general architecture adaptable to different pre-trained MLLMs, enabling it to recognize various types of visual prompts (such as points, bounding boxes, and free-form shapes) alongside language understanding. Additionally, we introduce MDVP-Instruct-Data, a multi-domain dataset featuring 1.2 million image-visual prompt-text triplets, including natural images, document images, scene text images, mobile/web screenshots, and remote sensing images. Building on this dataset, we introduce MDVP-Bench, a challenging benchmark designed to evaluate a model's ability to understand visual prompting instructions. The experimental results demonstrate that our framework can be easily and effectively applied to various MLLMs, such as SPHINX-X and LLaVA. After training with MDVP-Instruct-Data and image-level instruction datasets, our models exhibit impressive multimodal interaction capabilities and pixel-level understanding, while maintaining their image-level visual perception performance.

Model editing is an emerging field that focuses on updating the knowledge embedded within large language models (LLMs) without extensive retraining. However, current model editing methods significantly compromise the general abilities of LLMs as the number of edits increases, and this trade-off poses a substantial challenge to the continual learning of LLMs. In this paper, we first theoretically analyze that the factor affecting the general abilities in sequential model editing lies in the condition number of the edited matrix. The condition number of a matrix represents its numerical sensitivity, and therefore can be used to indicate the extent to which the original knowledge associations stored in LLMs are perturbed after editing. Subsequently, statistical findings demonstrate that the value of this factor becomes larger as the number of edits increases, thereby exacerbating the deterioration of general abilities. To this end, a framework termed Perturbation Restraint on Upper bouNd for Editing (PRUNE) is proposed, which applies the condition number restraints in sequential editing. These restraints can lower the upper bound on perturbation to edited models, thus preserving the general abilities. Systematically, we conduct experiments employing three editing methods on three LLMs across four downstream tasks. The results show that PRUNE can preserve general abilities while maintaining the editing performance effectively in sequential model editing. The code are available at https://github.com/mjy1111/PRUNE.

Retrieval aims to find the top-k items most relevant to a query/user from a large dataset. Traditional retrieval models represent queries/users and items as embedding vectors and use Approximate Nearest Neighbor (ANN) search for retrieval. Recently, researchers have proposed a generative-based retrieval method that represents items as token sequences and uses a decoder model for autoregressive training. Compared to traditional methods, this approach uses more complex models and integrates index structure during training, leading to better performance. However, these methods remain two-stage processes, where index construction is separate from the retrieval model, limiting the model's overall capacity. Additionally, existing methods construct indices by clustering pre-trained item representations in Euclidean space. However, real-world scenarios are more complex, making this approach less accurate. To address these issues, we propose a \underline{U}nified framework for \underline{R}etrieval and \underline{I}ndexing, termed \textbf{URI}. URI ensures strong consistency between index construction and the retrieval model, typically a Transformer decoder. URI simultaneously builds the index and trains the decoder, constructing the index through the decoder itself. It no longer relies on one-sided item representations in Euclidean space but constructs the index within the interactive space between queries and items. Experimental comparisons on three real-world datasets show that URI significantly outperforms existing methods.

This work is about estimating when a conditional generative model (CGM) can solve an in-context learning (ICL) problem. An in-context learning (ICL) problem comprises a CGM, a dataset, and a prediction task. The CGM could be a multi-modal foundation model; the dataset, a collection of patient histories, test results, and recorded diagnoses; and the prediction task to communicate a diagnosis to a new patient. A Bayesian interpretation of ICL assumes that the CGM computes a posterior predictive distribution over an unknown Bayesian model defining a joint distribution over latent explanations and observable data. From this perspective, Bayesian model criticism is a reasonable approach to assess the suitability of a given CGM for an ICL problem. However, such approaches---like posterior predictive checks (PPCs)---often assume that we can sample from the likelihood and posterior defined by the Bayesian model, which are not explicitly given for contemporary CGMs. To address this, we show when ancestral sampling from the predictive distribution of a CGM is equivalent to sampling datasets from the posterior predictive of the assumed Bayesian model. Then we develop the generative predictive $p$-value, which enables PPCs and their cousins for contemporary CGMs. The generative predictive $p$-value can be used in a statistical decision procedure to determine when the model is appropriate for an ICL problem. Our method only requires generating queries and responses from a CGM and evaluating its response log probability. Using large language models, we empirically evaluate our method on tasks involving tabular data, imaging data, and natural language data.

Neuronal dynamics are highly nonlinear and nonstationary. Traditional methods for extracting the underlying network structure from neuronal activity recordings mainly concentrate on modeling static connectivity, without accounting for key nonstationary aspects of biological neural systems, such as ongoing synaptic plasticity and neuronal modulation. To bridge this gap, we introduce the NetFormer model, an interpretable approach applicable to such systems. In NetFormer, the activity of each neuron across a series of historical time steps is defined as a token. These tokens are then linearly mapped through a query and key mechanism to generate a state- (and hence time-) dependent attention matrix that directly encodes nonstationary connectivity structures. We analyze our formulation from the perspective of nonstationary and nonlinear networked dynamical systems, and show both via an analytical expansion and targeted simulations how it can approximate the underlying ground truth. Next, we demonstrate NetFormer's ability to model a key feature of biological networks, spike-timing-dependent plasticity, whereby connection strengths continually change in response to local activity patterns. We further demonstrate that NetFormer can capture task-induced connectivity patterns on activity generated by task-trained recurrent neural networks. Thus informed, we apply NetFormer to a multi-modal dataset of real neural recordings, which contains neural activity, cell type, and behavioral state information. We show that the NetFormer effectively predicts neural dynamics and identifies cell-type specific, state-dependent dynamic connectivity that matches patterns measured in separate ground-truth physiology experiments, demonstrating its ability to help decode complex neural interactions based on population activity observations alone.

Large language models (LLMs) acquire substantial knowledge during pretraining but often need adaptation to new contexts, tasks, or domains, typically achieved through fine-tuning or prompting. However, fine-tuning incurs significant training costs, while prompting increases inference overhead. Inspired by fast weight memory, we introduce GenerativeAdapter, an effective and efficient adaptation method that encode test-time context into language model parameters with a single forward pass. GenerativeAdapter augments a frozen pretrained LM with a lightweight adapter generator, trained via self-supervised learning, to produce parameter-efficient adapters. Notably, our generator is general-purpose, i.e., one generator can adapt the corresponding base model for all langauge processing scenarios. We apply GenerativeAdapter to two pretrained LMs (Mistral-7B-Instruct and Llama2-7B-Chat) and evaluate the adapted models across knowledge acquisition from documents, learning from demonstrations, and personalization for users. In StreamingQA, our approach is effective in injecting knowledge into the LM's parameters, achieving a 63.5\% improvement in F1 score over the model with supervised fine-tuning (from $19.5$ to $31.5$) for contexts as long as 32K tokens. In the MetaICL in-context learning evaluation, our method achieves an average accuracy of $44.9$ across 26 tasks, outperforming the base model. On MSC, our method proves to be highly competitive in memorizing user information from conversations with a 4x reduction in computation and memory costs compared to prompting with full conversation history. Overall, GenerativeAdapter provides a viable solution for adapting large LMs to evolving information and providing tailored user experience, while reducing training and inference costs relative to traditional fine-tuning and prompting techniques.

Chess has long been a testbed for AI's quest to match human intelligence, and in recent years, chess AI systems have surpassed the strongest humans at the game. However, these systems are *not human-aligned*; they are unable to match the skill levels of all human partners or model human-like behaviors beyond piece movement. In this paper, we introduce Allie, a chess-playing AI designed to bridge the gap between artificial and human intelligence in this classic game. Allie is trained on log sequences of real chess games to model the behaviors of human chess players across the skill spectrum, including non-move behaviors such as pondering times and resignations In offline evaluations, we find that Allie exhibits humanlike behavior: it outperforms the existing state-of-the-art in human chess move prediction and ``ponders'' at critical positions. The model learns to reliably assign reward at each game state, which can be used at inference as a reward function in a novel *time-adaptive* Monte-Carlo tree search (MCTS) procedure, where the amount of search depends on how long humans would think in the same positions. Adaptive search enables remarkable *skill calibration*; in a large-scale online evaluation against players with ratings from 1000 to 2600 Elo, our adaptive search method leads to a skill gap of only 49 Elo on average, substantially outperforming search-free and standard MCTS baselines. Against grandmaster-level (2500 Elo) opponents, Allie with adaptive search exhibits the strength of a fellow grandmaster, all while learning *exclusively from humans*.

The spatio-temporal complexity of video data presents significant challenges in tasks such as compression, generation, and inpainting. We present four key contributions to address the challenges of spatiotemporal video processing. First, we introduce the 3D Mobile Inverted Vector-Quantization Variational Autoencoder (3D-MBQ-VAE), which combines Variational Autoencoders (VAEs) with masked modeling to enhance spatiotemporal video compression. The model achieves superior temporal consistency and state-of-the-art (SOTA) reconstruction quality by employing a novel training strategy with full frame masking. Second, we present MotionAura, a text-to-video generation framework that utilizes vector-quantized diffusion models to discretize the latent space and capture complex motion dynamics, producing temporally coherent videos aligned with text prompts. Third, we propose a spectral transformer-based denoising network that processes video data in the frequency domain using the Fourier Transform. This method effectively captures global context and long-range dependencies for high-quality video generation and denoising. Lastly, we introduce a downstream task of Sketch Guided Video Inpainting. This task leverages Low-Rank Adaptation (LoRA) for parameter-efficient fine-tuning. Our models achieve SOTA performance on a range of benchmarks. Our work offers robust frameworks for spatiotemporal modeling and user-driven video content manipulation.

The linear representation hypothesis is the informal idea that semantic concepts are encoded as linear directions in the representation spaces of large language models (LLMs). Previous work has shown how to make this notion precise for representing binary concepts that have natural contrasts (e.g., {male, female}) as _directions_ in representation space. However, many natural concepts do not have natural contrasts (e.g., whether the output is about an animal). In this work, we show how to extend the formalization of the linear representation hypothesis to represent features (e.g., is_animal) as _vectors_. This allows us to immediately formalize the representation of categorical concepts as polytopes in the representation space. Further, we use the formalization to prove a relationship between the hierarchical structure of concepts and the geometry of their representations. We validate these theoretical results on the Gemma and LLaMA-3 large language models, estimating representations for 900+ hierarchically related concepts using data from WordNet.

Currently many benchmarks have been proposed to evaluate the perception ability of the Large Vision-Language Models (LVLMs). However, most benchmarks conduct questions by selecting images from existing datasets, resulting in the potential data leakage. Besides, these benchmarks merely focus on evaluating LVLMs on the realistic style images and clean scenarios, leaving the multi-stylized images and noisy scenarios unexplored. In response to these challenges, we propose a dynamic and scalable benchmark named Dysca for evaluating LVLMs by leveraging synthesis images. Specifically, we leverage Stable Diffusion and design a rule-based method to dynamically generate novel images, questions and the corresponding answers. We consider 51 kinds of image styles and evaluate the perception capability in 20 subtasks. Moreover, we conduct evaluations under 4 scenarios (i.e., Clean, Corruption, Print Attacking and Adversarial Attacking) and 3 question types (i.e., Multi-choices, True-or-false and Free-form). Thanks to the generative paradigm, Dysca serves as a scalable benchmark for easily adding new subtasks and scenarios. A total of 24 advanced open-source LVLMs and 2 close-source LVLMs are evaluated on Dysca, revealing the drawbacks of current LVLMs. The benchmark is released in anonymous github page \url{https://github.com/Benchmark-Dysca/Dysca}.

The goal of object-centric representation learning is to decompose visual scenes into a structured representation that isolates the entities into individual vectors. Recent successes have shown that object-centric representation learning can be scaled to real-world scenes by utilizing features from pre-trained foundation models like DINO. However, so far, these object-centric methods have mostly been applied in-distribution, with models trained and evaluated on the same dataset. This is in contrast to the underlying foundation models, which have been shown to be applicable to a wide range of data and tasks. Thus, in this work, we answer the question of whether current real-world capable object-centric methods exhibit similar levels of transferability by introducing a benchmark comprising seven different synthetic and real-world datasets. We analyze the factors influencing performance under transfer and find that training on diverse real-world images improves generalization to unseen scenarios. Furthermore, inspired by the success of task-specific fine-tuning in foundation models, we introduce a novel fine-tuning strategy to adapt pre-trained vision encoders for the task of object discovery. We find that the proposed approach results in state-of-the-art performance for unsupervised object discovery, exhibiting strong zero-shot transfer to unseen datasets.

Deep learning has become essential in the biological species recognition task. However, a significant challenge is the ability to continuously learn new or mutated species with limited annotated samples. Since species within the same family typically share similar traits, distinguishing between new and existing (old) species during incremental learning often faces the issue of species confusion. This can result in "catastrophic forgetting" of old species and poor learning of new ones. To address this issue, we propose a Prototype Antithesis (PA) method, which leverages the hierarchical structures in biological taxa to reduce confusion between new and old species. PA operates in two steps: Residual Prototype Learning (RPL) and Residual Prototype Mixing (RPM). RPL enables the model to learn unique prototypes for each species alongside residual prototypes representing shared traits within families. RPM generates synthetic samples by blending features of new species with residual prototypes of old species, encouraging the model to focus on species-unique traits and minimize species confusion. By integrating RPL and RPM, the proposed PA method mitigates "catastrophic forgetting" while improving generalization to new species. Extensive experiments on CUB200, PlantVillage, and Tree-of-Life datasets demonstrate that PA significantly reduces inter-species confusion and achieves state-of-the-art performance, highlighting its potential for deep learning in biological data analysis.