Abstract:In the era of foundation models, Out-of- Distribution (OOD) problems, i.e., the data discrepancy between the training environments and testing environments, hinder AI generalization. Further, relational data like graphs disobeying the Independent and Identically Distributed (IID) condition makes the problem more challenging, especially much harder when it is associated with time. Motivated by this, to realize the robust invariant learning over temporal graphs, we want to investigate what components in temporal graphs are most invariant and representative with respect to labels. With the Information Bottleneck (IB) method, we propose an error-bounded Invariant Link Selector that can distinguish invariant components and variant components during the training process to make the deep learning model generalizable for different testing scenarios. Besides deriving a series of rigorous generalizable optimization functions, we also equip the training with task-specific loss functions, e.g., temporal link prediction, to make pretrained models solve real-world application tasks like citation recommendation and merchandise recommendation, as demonstrated in our experiments with state-of-the-art (SOTA) methods. Our code is available at https://github.com/kthrn22/OOD-Linker.
Abstract:Large Language Models (LLMs) have achieved remarkable success in complex reasoning tasks, but their inference remains computationally inefficient. We observe a common failure mode in many prevalent LLMs, overthinking, where models generate verbose and tangential reasoning traces even for simple queries. Recent works have tried to mitigate this by enforcing fixed token budgets, however, this can lead to underthinking, especially on harder problems. Through empirical analysis, we identify that this inefficiency often stems from unclear problem-solving strategies. To formalize this, we develop a theoretical model, BBAM (Bayesian Budget Allocation Model), which models reasoning as a sequence of sub-questions with varying uncertainty, and introduce the $E^3$ metric to capture the trade-off between correctness and computation efficiency. Building on theoretical results from BBAM, we propose Plan-and-Budget, a model-agnostic, test-time framework that decomposes complex queries into sub-questions and allocates token budgets based on estimated complexity using adaptive scheduling. Plan-and-Budget improves reasoning efficiency across a range of tasks and models, achieving up to +70% accuracy gains, -39% token reduction, and +187.5% improvement in $E^3$. Notably, it elevates a smaller model (DS-Qwen-32B) to match the efficiency of a larger model (DS-LLaMA-70B)-demonstrating Plan-and-Budget's ability to close performance gaps without retraining. Our code is available at anonymous.4open.science/r/P-and-B-6513/.
Abstract:Direct Preference Optimization (DPO) is broadly utilized for aligning Large Language Models (LLMs) with human values because of its flexibility. Despite its effectiveness, it has been observed that the capability of DPO to generate human-preferred response is limited and the results of DPO are far from resilient. To address these limitations, in this paper we propose a novel Self-Guided Direct Preference Optimization algorithm, i.e., SGDPO, which incorporates a pilot term to steer the gradient flow during the optimization process, allowing for fine-grained control over the updates of chosen and rejected rewards. We provide a detailed theoretical analysis of our proposed method and elucidate its operational mechanism. Furthermore, we conduct comprehensive experiments on various models and benchmarks. The extensive experimental results demonstrate the consistency between the empirical results and our theoretical analysis and confirm the effectiveness of our proposed approach (up to 9.19% higher score).
Abstract:Rotary Position Embedding (RoPE) is an efficient position encoding approach and is widely utilized in numerous large language models (LLMs). Recently, a lot of methods have been put forward to further expand the context window based on RoPE. The core concept of those methods is to predefine or search for a set of factors to rescale the base frequencies of RoPE. Nevertheless, it is quite a challenge for existing methods to predefine an optimal factor due to the exponential search space. In view of this, we introduce PSC (Phase Shift Calibration), a small module for calibrating the frequencies predefined by existing methods. With the employment of PSC, we demonstrate that many existing methods can be further enhanced, like PI, YaRN, and LongRoPE. We conducted extensive experiments across multiple models and tasks. The results demonstrate that (1) when PSC is enabled, the comparative reductions in perplexity increase as the context window size is varied from 16k, to 32k, and up to 64k. (2) Our approach is broadly applicable and exhibits robustness across a variety of models and tasks. The code can be found at https://github.com/WNQzhu/PSC.
Abstract:Recently, camera localization has been widely adopted in autonomous robotic navigation due to its efficiency and convenience. However, autonomous navigation in unknown environments often suffers from scene ambiguity, environmental disturbances, and dynamic object transformation in camera localization. To address this problem, inspired by the biological brain navigation mechanism (such as grid cells, place cells, and head direction cells), we propose a novel neurobiological camera location method, namely NeuroLoc. Firstly, we designed a Hebbian learning module driven by place cells to save and replay historical information, aiming to restore the details of historical representations and solve the issue of scene fuzziness. Secondly, we utilized the head direction cell-inspired internal direction learning as multi-head attention embedding to help restore the true orientation in similar scenes. Finally, we added a 3D grid center prediction in the pose regression module to reduce the final wrong prediction. We evaluate the proposed NeuroLoc on commonly used benchmark indoor and outdoor datasets. The experimental results show that our NeuroLoc can enhance the robustness in complex environments and improve the performance of pose regression by using only a single image.
Abstract:The proliferation of open-sourced Large Language Models (LLMs) and diverse downstream tasks necessitates efficient model selection, given the impracticality of fine-tuning all candidates due to computational constraints. Despite the recent advances in LLM selection, a fundamental research question largely remains nascent: how can we model the dynamic behaviors of LLMs during fine-tuning, thereby enhancing our understanding of their generalization performance across diverse downstream tasks? In this work, we propose a novel theoretical framework that provides a proper lens to assess the generalization capabilities of LLMs, thereby enabling accurate and efficient LLM selection for downstream applications. In particular, we first derive a Hessian-based PAC-Bayes generalization bound that unveils fine-tuning dynamics of LLMs and then introduce LENSLLM, a Neural Tangent Kernel(NTK)-based Rectified Scaling Model that enables accurate performance predictions across diverse tasks while maintaining computational efficiency. Extensive empirical results on 3 large-scale benchmarks demonstrate that our model achieves up to 91.1% accuracy and reduces up to 88.5% computational cost in LLM selection, outperforming 5 state-of-the-art methods. We open-source our proposed LENSLLM model and corresponding results at the Github link: https://github.com/Susan571/LENSLLM.git.
Abstract:As large language models (LLMs) are increasingly used in human-centered tasks, assessing their psychological traits is crucial for understanding their social impact and ensuring trustworthy AI alignment. While existing reviews have covered some aspects of related research, several important areas have not been systematically discussed, including detailed discussions of diverse psychological tests, LLM-specific psychological datasets, and the applications of LLMs with psychological traits. To address this gap, we systematically review six key dimensions of applying psychological theories to LLMs: (1) assessment tools; (2) LLM-specific datasets; (3) evaluation metrics (consistency and stability); (4) empirical findings; (5) personality simulation methods; and (6) LLM-based behavior simulation. Our analysis highlights both the strengths and limitations of current methods. While some LLMs exhibit reproducible personality patterns under specific prompting schemes, significant variability remains across tasks and settings. Recognizing methodological challenges such as mismatches between psychological tools and LLMs' capabilities, as well as inconsistencies in evaluation practices, this study aims to propose future directions for developing more interpretable, robust, and generalizable psychological assessment frameworks for LLMs.
Abstract:The rapid advancement of large-language models (LLMs) has driven extensive research into parameter compression after training has been completed, yet compression during the training phase remains largely unexplored. In this work, we introduce Rate-Constrained Training (Backslash), a novel training-time compression approach based on rate-distortion optimization (RDO). Backslash enables a flexible trade-off between model accuracy and complexity, significantly reducing parameter redundancy while preserving performance. Experiments in various architectures and tasks demonstrate that Backslash can reduce memory usage by 60\% - 90\% without accuracy loss and provides significant compression gain compared to compression after training. Moreover, Backslash proves to be highly versatile: it enhances generalization with small Lagrange multipliers, improves model robustness to pruning (maintaining accuracy even at 80\% pruning rates), and enables network simplification for accelerated inference on edge devices.
Abstract:Multi-robot autonomous exploration in an unknown environment is an important application in robotics.Traditional exploration methods only use information around frontier points or viewpoints, ignoring spatial information of unknown areas. Moreover, finding the exact optimal solution for multi-robot task allocation is NP-hard, resulting in significant computational time consumption. To address these issues, we present a hierarchical multi-robot exploration framework using a new modeling method called RegionGraph. The proposed approach makes two main contributions: 1) A new modeling method for unexplored areas that preserves their spatial information across the entire space in a weighted graph called RegionGraph. 2) A hierarchical multi-robot exploration framework that decomposes the global exploration task into smaller subtasks, reducing the frequency of global planning and enabling asynchronous exploration. The proposed method is validated through both simulation and real-world experiments, demonstrating a 20% improvement in efficiency compared to existing methods.
Abstract:Precise identification of quantum states under noise constraints is essential for quantum information processing. In this study, we generalize the classical best arm identification problem to quantum domains, designing methods for identifying the purest one within $K$ unknown $n$-qubit quantum states using $N$ samples. %, with direct applications in quantum computation and quantum communication. We propose two distinct algorithms: (1) an algorithm employing incoherent measurements, achieving error $\exp\left(- \Omega\left(\frac{N H_1}{\log(K) 2^n }\right) \right)$, and (2) an algorithm utilizing coherent measurements, achieving error $\exp\left(- \Omega\left(\frac{N H_2}{\log(K) }\right) \right)$, highlighting the power of quantum memory. Furthermore, we establish a lower bound by proving that all strategies with fixed two-outcome incoherent POVM must suffer error probability exceeding $ \exp\left( - O\left(\frac{NH_1}{2^n}\right)\right)$. This framework provides concrete design principles for overcoming sampling bottlenecks in quantum technologies.