Large language models (LLMs) have achieved significant performance gains via scaling up model sizes and/or data. However, recent evidence suggests diminishing returns from such approaches, motivating scaling the computation spent at inference time. Existing inference-time scaling methods, usually with reward models, cast the task as a search problem, which tends to be vulnerable to reward hacking as a consequence of approximation errors in reward models. In this paper, we instead cast inference-time scaling as a probabilistic inference task and leverage sampling-based techniques to explore the typical set of the state distribution of a state-space model with an approximate likelihood, rather than optimize for its mode directly. We propose a novel inference-time scaling approach by adapting particle-based Monte Carlo methods to this task. Our empirical evaluation demonstrates that our methods have a 4-16x better scaling rate over our deterministic search counterparts on various challenging mathematical reasoning tasks. Using our approach, we show that Qwen2.5-Math-1.5B-Instruct can surpass GPT-4o accuracy in only 4 rollouts, while Qwen2.5-Math-7B-Instruct scales to o1 level accuracy in only 32 rollouts. Our work not only presents an effective method to inference-time scaling, but also connects the rich literature in probabilistic inference with inference-time scaling of LLMs to develop more robust algorithms in future work. Code, videos, and further information available at https://probabilistic-inference-scaling.github.io.

Model merging, a method that combines the parameters and embeddings of multiple fine-tuned large language models (LLMs), offers a promising approach to enhance model performance across various tasks while maintaining computational efficiency. This paper introduces Activation-Informed Merging (AIM), a technique that integrates the information from the activation space of LLMs into the merging process to improve performance and robustness. AIM is designed as a flexible, complementary solution that is applicable to any existing merging method. It aims to preserve critical weights from the base model, drawing on principles from continual learning~(CL) and model compression. Utilizing a task-agnostic calibration set, AIM selectively prioritizes essential weights during merging. We empirically demonstrate that AIM significantly enhances the performance of merged models across multiple benchmarks. Our findings suggest that considering the activation-space information can provide substantial advancements in the model merging strategies for LLMs with up to 40\% increase in benchmark performance.

The rise of large language models (LLMs) has created a significant disparity: industrial research labs with their computational resources, expert teams, and advanced infrastructures, can effectively fine-tune LLMs, while individual developers and small organizations face barriers due to limited resources. In this paper, we aim to bridge this gap by presenting a comprehensive study on supervised fine-tuning of LLMs using instruction-tuning datasets spanning diverse knowledge domains and skills. We focus on small-sized LLMs (3B to 7B parameters) for their cost-efficiency and accessibility. We explore various training configurations and strategies across four open-source pre-trained models. We provide detailed documentation of these configurations, revealing findings that challenge several common training practices, including hyperparameter recommendations from TULU and phased training recommended by Orca. Key insights from our work include: (i) larger batch sizes paired with lower learning rates lead to improved model performance on benchmarks such as MMLU, MTBench, and Open LLM Leaderboard; (ii) early-stage training dynamics, such as lower gradient norms and higher loss values, are strong indicators of better final model performance, enabling early termination of sub-optimal runs and significant computational savings; (iii) through a thorough exploration of hyperparameters like warmup steps and learning rate schedules, we provide guidance for practitioners and find that certain simplifications do not compromise performance; and (iv) we observed no significant difference in performance between phased and stacked training strategies, but stacked training is simpler and more sample efficient. With these findings holding robustly across datasets and models, we hope this study serves as a guide for practitioners fine-tuning small LLMs and promotes a more inclusive environment for LLM research.

Preference tuning of large language models (LLMs) relies on high-quality human preference data, which is often expensive and time-consuming to gather. While existing methods can use trained reward models or proprietary model as judges for preference annotation, they have notable drawbacks: training reward models remain dependent on initial human data, and using proprietary model imposes license restrictions that inhibits commercial usage. In this paper, we introduce customized density ratio (CDR), a training-free and highly effective method that leverages off-the-shelf LLMs for preference data annotation. Our approach uses the log-density ratio between a better-aligned LLM and a less aligned LLM as a reward signal. We explores 221 different LLMs pairs and empirically demonstrate that increasing the performance gap between paired LLMs correlates with better reward generalization. Furthermore, we show that tailoring the density ratio reward function with specific criteria and preference exemplars enhances performance across domains and within target areas. In our experiment using density ratio from a pair of Mistral-7B models, CDR achieves a RewardBench score of 82.6, outperforming the best trained reward functions from same model class and demonstrating competitive performance against SoTA models in Safety (91.0) and Reasoning (88.0) domains. We use CDR to annotate an on-policy preference dataset with which we preference tune Llama-3-8B-Instruct with SimPO. Using reward signals from two relatively weak models, our approach pushes Llama-3-8B to achieve a 37.4% (+15.1%) Preference tuning has advanced the capabilities of large language models (LLMs), but this progress relies on high-quality human preference data which is both costly and time-consuming to gather. Cutting-edge models (e.g., ChatGPT, GPT-4, Claude-3) are aligned with curated, quality-controlled human preference data, typically provided by specialized companies. AI-feedback solutions are emerging as an alternative--either through a trained reward model (Dong et al., 2024) or proprietary LLM-as-a-judge (Cui et al., 2023). However, training reward models still rely on costly initial human preference data, and proprietary LLM-as-a-judge approaches introduce licensing restrictions that generally prevent commercial use.

Discrete diffusion models have achieved success in tasks like image generation and masked language modeling but face limitations in controlled content editing. We introduce DICE (Discrete Inversion for Controllable Editing), the first approach to enable precise inversion for discrete diffusion models, including multinomial diffusion and masked generative models. By recording noise sequences and masking patterns during the reverse diffusion process, DICE enables accurate reconstruction and flexible editing of discrete data without the need for predefined masks or attention manipulation. We demonstrate the effectiveness of DICE across both image and text domains, evaluating it on models such as VQ-Diffusion, Paella, and RoBERTa. Our results show that DICE preserves high data fidelity while enhancing editing capabilities, offering new opportunities for fine-grained content manipulation in discrete spaces. For project webpage, see https://hexiaoxiao-cs.github.io/DICE/.

Adapting large-scale pre-trained generative models in a parameter-efficient manner is gaining traction. Traditional methods like low rank adaptation achieve parameter efficiency by imposing constraints but may not be optimal for tasks requiring high representation capacity. We propose a novel spectrum-aware adaptation framework for generative models. Our method adjusts both singular values and their basis vectors of pretrained weights. Using the Kronecker product and efficient Stiefel optimizers, we achieve parameter-efficient adaptation of orthogonal matrices. Specifically, we introduce Spectral Orthogonal Decomposition Adaptation (SODA), which balances computational efficiency and representation capacity. Extensive evaluations on text-to-image diffusion models demonstrate SODA's effectiveness, offering a spectrum-aware alternative to existing fine-tuning methods.

In this paper, we introduce LInK, a novel framework that integrates contrastive learning of performance and design space with optimization techniques for solving complex inverse problems in engineering design with discrete and continuous variables. We focus on the path synthesis problem for planar linkage mechanisms. By leveraging a multi-modal and transformation-invariant contrastive learning framework, LInK learns a joint representation that captures complex physics and design representations of mechanisms, enabling rapid retrieval from a vast dataset of over 10 million mechanisms. This approach improves precision through the warm start of a hierarchical unconstrained nonlinear optimization algorithm, combining the robustness of traditional optimization with the speed and adaptability of modern deep learning methods. Our results on an existing benchmark demonstrate that LInK outperforms existing methods with 28 times less error compared to a state-of-the-art approach while taking 20 times less time on an existing benchmark. Moreover, we introduce a significantly more challenging benchmark, named LINK-ABC, which involves synthesizing linkages that trace the trajectories of English capital alphabets - an inverse design benchmark task that existing methods struggle with due to large non-linearities and tiny feasible space. Our results demonstrate that LInK not only advances the field of mechanism design but also broadens the applicability of contrastive learning and optimization to other areas of engineering.

Relational databases play a pivotal role in modern information systems and business operations due to their efficiency in managing structured data [39]. According to a Kaggle survey [23], 65.5% of users worked extensively with relational data. Additionally, the majority of leading database management systems (e.g., MySQL and Oracle) are built on relational database principles [35]. These systems organize data into multiple tables, each representing a specific entity, and the relationships between tables delineate the connections between these entities. However, the widespread use of relational databases also carries a significant risk of privacy leakage.

Aligning Large Language Models (LLMs) to cater to different human preferences, learning new skills, and unlearning harmful behavior is an important problem. Search-based methods, such as Best-of-N or Monte-Carlo Tree Search, are performant, but impractical for LLM adaptation due to their high inference cost. On the other hand, using Reinforcement Learning (RL) for adaptation is computationally efficient, but performs worse due to the optimization challenges in co-training the value function and the policy. We present a new framework for reward optimization, Value Augmented Sampling (VAS), that can maximize different reward functions using data sampled from only the initial, frozen LLM. VAS solves for the optimal reward-maximizing policy without co-training the policy and the value function, making the optimization stable, outperforming established baselines, such as PPO and DPO, on standard benchmarks, and achieving comparable results to Best-of-128 with lower inference cost. Unlike existing RL methods that require changing the weights of the LLM, VAS does not require access to the weights of the pre-trained LLM. Thus, it can even adapt LLMs (e.g., ChatGPT), which are available only as APIs. In addition, our algorithm unlocks the new capability of composing several rewards and controlling the extent of each one during deployment time, paving the road ahead for the future of aligned, personalized LLMs.

This work introduces LAB (Large-scale Alignment for chatBots), a novel methodology designed to overcome the scalability challenges in the instruction-tuning phase of large language model (LLM) training. Leveraging a taxonomy-guided synthetic data generation process and a multi-phase tuning framework, LAB significantly reduces reliance on expensive human annotations and proprietary models like GPT-4. We demonstrate that LAB-trained models can achieve competitive performance across several benchmarks compared to models trained with traditional human-annotated or GPT-4 generated synthetic data. Large language models (LLMs) have achieved remarkable levels of success in various natural language processing (NLP) applications, including question-answering, entity extraction, and summarization . This has been made possible, in large part, by the introduction of the transformer architecture, which can leverage large amounts of unlabeled, unstructured data, enabling the scaling of LLMs to billions, or even trillions of parameters. LLMs are typically trained in phases: a self-supervised pre-training phase, followed by supervised alignment tuning phases.