ICLR 2025 Papers

We introduce INSTRUCT-SKILLMIX, an automated approach for creating diverse, high quality SFT data for instruction-following. The pipeline involves two stages, each leveraging an existing powerful LLM: (1) Skill extraction: uses the LLM to extract core “skills” for instruction-following by directly prompting the model. This is inspired by “LLM metacognition” of (Didolkar et al., 2024); (2) Data generation: uses the powerful LLM to generate (instruction, response) data that exhibit a randomly chosen pair of these skills. Here, the use of random skill combinations promotes diversity and difficulty. The estimated cost of creating the dataset is under $600. Vanilla SFT (i.e., no PPO, DPO, or RL methods) on data generated from INSTRUCT-SKILLMIX leads to strong gains on instruction following benchmarks such as AlpacaEval 2.0, MT-Bench, and WildBench. With just 4K examples, LLaMA-3-8B-Base achieves 42.76% length-controlled win rate on AlpacaEval 2.0, a level similar to frontier models like Claude 3 Opus and LLaMA-3.1-405B-Instruct. Ablation studies also suggest plausible reasons for why creating open instruction-tuning datasets via naive crowd-sourcing has proved difficult. In our dataset,adding 20% low quality answers (“shirkers”) causes a noticeable degradation in performance. The INSTRUCT-SKILLMIX pipeline seems flexible and adaptable to other settings.

Federated Domain Adaptation (FDA) is a Federated Learning (FL) scenario where models are trained across multiple clients with unique data domains but a shared category space, without transmitting private data. The primary challenge in FDA is data heterogeneity, which causes significant divergences in gradient updates when using conventional averaging-based aggregation methods, reducing the efficacy of the global model. This further undermines both in-domain and out-of-domain performance (within the same federated system but outside the local client), which is critical in certain business applications. To address this, we propose a novel framework called \textbf{M}ulti-domain \textbf{P}rototype-based \textbf{F}ederated Fine-\textbf{T}uning (MPFT). MPFT fine-tunes a pre-trained model using multi-domain prototypes, i.e., several pretrained representations enriched with domain-specific information from category-specific local data. This enables supervised learning on the server to create a globally optimized adapter that is subsequently distributed to local clients, without the intrusion of data privacy. Empirical results show that MPFT significantly improves both in-domain and out-of-domain accuracy over conventional methods, enhancing knowledge preservation and adaptation in FDA. Notably, MPFT achieves convergence within a single communication round, greatly reducing computation and communication costs. To ensure privacy, MPFT applies differential privacy to protect the prototypes. Additionally, we develop a prototype-based feature space hijacking attack to evaluate robustness, confirming that raw data samples remain unrecoverable even after extensive training epochs. The complete implementation of MPFL is available at \url{https://anonymous.4open.science/r/DomainFL/}.

Memorization in language models is typically treated as a homogenous phenomenon, neglecting the specifics of the memorized data. We instead model memorization as the effect of a set of complex factors that describe each sample and relate it to the model and corpus. To build intuition around these factors, we break memorization down into a taxonomy: recitation of highly duplicated sequences, reconstruction of inherently predictable sequences, and recollection of sequences that are neither. We demonstrate the usefulness of our taxonomy by using it to construct a predictive model for memorization. By analyzing dependencies and inspecting the weights of the predictive model, we find that different factors have different influences on the likelihood of memorization depending on the taxonomic category.

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately $8\times$ parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods. The code is officially available at https://github.com/Forence1999/MoS.

Red-teaming, or identifying prompts that elicit harmful responses, is a critical step in ensuring the safe and responsible deployment of large language models (LLMs). Developing effective protection against many modes of attack prompts requires discovering diverse attacks. Automated red-teaming typically uses reinforcement learning to fine-tune an attacker language model to generate prompts that elicit undesirable responses from a target LLM, as measured, for example, by an auxiliary toxicity classifier. We show that even with explicit regularization to favor novelty and diversity, existing approaches suffer from mode collapse or fail to generate effective attacks. As a flexible and probabilistically principled alternative, we propose to use GFlowNet fine-tuning, followed by a secondary smoothing phase, to train the attacker model to generate *diverse* and *effective* attack prompts. We find that the attacks generated by our method are effective against a wide range of target LLMs, both with and without safety tuning, and transfer well between target LLMs. Finally, we demonstrate that models safety-tuned using a dataset of red-teaming prompts generated by our method are robust to attacks from other RL-based red-teaming approaches.

The foundation model (FM) paradigm is transforming Machine Learning Force Fields (MLFFs), leveraging general-purpose representations and scalable training to perform a variety of computational chemistry tasks. Although MLFF FMs have begun to close the accuracy gap relative to first-principles methods, there is still a strong need for faster inference speed. Additionally, while research is increasingly focused on general-purpose models which transfer across chemical space, practitioners typically only study a small subset of systems at a given time. At test time, MLFFs must also obey physical constraints unique to the downstream use case, such as energy conservation for molecular dynamics simulations. This underscores the need for fast, specialized MLFFs relevant to specific downstream applications, which preserve test-time physical soundness while maintaining train-time scalability. In this work, we introduce a method for transferring general-purpose representations from MLFF foundation models to smaller, faster MLFFs specialized to specific regions of chemical space. We formulate our approach as an architecture-agnostic knowledge distillation procedure, where the smaller "student" MLFF is trained to match the Hessians of the energy predictions of the "teacher" foundation model. We demonstrate our approach across multiple recent foundation models, large-scale datasets, chemical subsets, and downstream tasks. Our specialized MLFFs can be up to 20 times faster than the original foundation model, while retaining, and in some cases exceeding, its performance and that of undistilled models. We also show that distilling from a teacher model with a direct force parameterization into a student model trained with conservative forces (i.e., computed as derivatives of the potential energy) successfully leverages the representations from the large-scale teacher for improved accuracy, while maintaining energy conservation during test-time molecular dynamics simulations. More broadly, our work suggests a new paradigm for MLFF development, in which foundation models are released along with smaller, specialized simulation ``engines" for common chemical subsets. The implementation of our method is available at https://github.com/ASK-Berkeley/MLFF-distill.

In this work, we focus on the task of weakly supervised affordance grounding, where a model is trained to identify affordance regions on objects using human-object interaction images and egocentric object images without dense labels. Previous works are mostly built upon class activation maps, which are effective for semantic segmentation but may not be suitable for locating actions and functions. Leveraging recent advanced foundation models, we develop a supervised training pipeline based on pseudo labels. The pseudo labels are generated from an off-the-shelf part segmentation model, guided by a mapping from affordance to part names. Furthermore, we introduce three key enhancements to the baseline model: a label refining stage, a fine-grained feature alignment process, and a lightweight reasoning module. These techniques harness the semantic knowledge of static objects embedded in off-the-shelf foundation models to improve affordance learning, effectively bridging the gap between objects and actions. Extensive experiments demonstrate that the performance of the proposed model has achieved a breakthrough improvement over existing methods.

VILA-U is a Unified foundation model that integrates Video, Image, Language understanding and generation. Traditional visual language models (VLMs) use separate modules for understanding and generating visual content, which can lead to misalignment and increased complexity. In contrast, VILA-U employs a single autoregressive next-token prediction framework for both tasks, eliminating the need for additional components like diffusion models. This approach not only simplifies the model but also achieves near state-of-the-art performance in visual language understanding and generation. The success of VILA-U is attributed to two main factors: the unified vision tower that aligns discrete visual tokens with textual inputs during pretraining, which enhances visual perception, and autoregressive image generation can achieve similar quality as diffusion models with high-quality dataset. This allows VILA-U to perform comparably to more complex models using a fully token-based autoregressive framework.