Large language models (LLMs) are vital for a wide range of applications yet remain susceptible to jailbreak threats, which could lead to the generation of inappropriate responses. Conventional defenses, such as refusal and adversarial training, often fail to cover corner cases or rare domains, leaving LLMs still vulnerable to more sophisticated attacks. We propose a novel defense strategy, Safety Chain-of-Thought (SCoT), which harnesses the enhanced reasoning capabilities of LLMs for proactive assessment of harmful inputs, rather than simply blocking them. SCoT augments any refusal training datasets to critically analyze the intent behind each request before generating answers. By employing proactive reasoning, SCoT enhances the generalization of LLMs across varied harmful queries and scenarios not covered in the safety alignment corpus. Additionally, it generates detailed refusals specifying the rules violated. Comparative evaluations show that SCoT significantly surpasses existing defenses, reducing vulnerability to out-of-distribution issues and adversarial manipulations while maintaining strong general capabilities. The code and data is available at https://anonymous.4open.science/r/SCoT-D4D9.

Retrieval systems generally focus on web-style queries that are short and underspecified. However, advances in language models have facilitated the nascent rise of retrieval models that can understand more complex queries with diverse intents. However, these efforts have focused exclusively on English; therefore, we do not yet understand how they work across languages. We introduce mFollowIR, a multilingual benchmark for measuring instruction-following ability in retrieval models. mFollowIR builds upon the TREC NeuCLIR narratives (or instructions) that span three diverse languages (Russian, Chinese, Persian) giving both query and instruction to the retrieval models. We make small changes to the narratives and isolate how well retrieval models can follow these nuanced changes. We present results for both multilingual (XX-XX) and cross-lingual (En-XX) performance. We see strong cross-lingual performance with English-based retrievers that trained using instructions, but find a notable drop in performance in the multilingual setting, indicating that more work is needed in developing data for instruction-based multilingual retrievers.

Large Language Models (LLMs) excel in natural language processing by encoding extensive human knowledge, but their utility relies on timely updates as knowledge evolves. Updating LLMs involves two key tasks simultaneously: unlearning to remove unwanted knowledge and editing to incorporate new information. Existing methods face two major challenges: ineffective knowledge storage (either too sparse or too dense) and task conflicts between editing and unlearning, as validated through our theoretical and experimental results. To address these issues, we propose LOKA, a conflict-free framework for LLM updating based on a knowledge codebook. During training, updated knowledge is stored in multiple codebook memories. To optimize knowledge storage, a similarity-aware knowledge mapping ensures that related knowledge pieces are clustered and allocated to the same memory. Additionally, LOKA resolves task conflicts by employing task-specific and multi-task memories guided by a conflict score. In the inference stage, LOKA retrieves the most relevant memory from the codebook and plugs it into the original LLM to apply the updated knowledge. A learning-based router controls codebook activation to further improve knowledge utilization. Extensive experiments demonstrate the effectiveness of LOKA in LLM knowledge updating tasks.

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose locality-aware surrogate models for active model-based black-box optimization. We first establish a theoretical connection between gradient alignment and the minimization of a Gradient Path Integral Equation (GradPIE) loss, which enforces consistency of the surrogate's gradients in local regions of the design space. Leveraging this theoretical insight, we develop a scalable training algorithm that minimizes the GradPIE loss, enabling both offline and online learning while maintaining computational efficiency. We evaluate our approach on three real-world tasks - spanning automated in silico experiments such as coupled nonlinear oscillators, analog circuits, and optical systems - and demonstrate consistent improvements in optimization efficiency under limited query budgets. Our results offer dependable solutions for both offline and online optimization tasks where reliable gradient estimation is needed.

Zeroth-order (ZO) optimization has emerged as a promising alternative to gradient-based backpropagation methods, particularly for black-box optimization and large language model (LLM) fine-tuning. However, ZO methods suffer from slow convergence due to high-variance stochastic gradient estimators. While structured perturbations, such as sparsity and low-rank constraints, have been explored to mitigate these issues, their effectiveness remains highly under-explored. In this work, we develop a unified theoretical framework that analyzes both the convergence and generalization properties of ZO optimization under structured perturbations. We show that high dimensionality is the primary bottleneck and introduce the notions of \textit{stable rank} and \textit{effective overlap} to explain how structured perturbations reduce gradient noise and accelerate convergence. Using the uniform stability under our framework, we then provide the first theoretical justification for why these perturbations enhance generalization. Additionally, through empirical analysis, we identify that \textbf{block coordinate descent} (BCD) to be an effective structured perturbation method. Extensive experiments show that, compared to existing alternatives, memory-efficient ZO (MeZO) with BCD (\textit{MeZO-BCD}) can provide improved converge with a faster wall-clock time/iteration by up to $\times\textbf{2.09}$ while yielding similar or better accuracy.

To reduce memory costs in long-context inference with Large Language Models (LLMs), many recent works focus on compressing the key-value (KV) cache of different tokens. However, we identify that the previous KV cache compression methods measure token importance individually, neglecting the dependency between different tokens in the real-world language characterics. In light of this, we introduce ChunkKV, grouping the tokens in a chunk as a basic compressing unit, and retaining the most informative semantic chunks while discarding the less important ones. Furthermore, observing that ChunkKV exhibits higher similarity in the preserved indices across different layers, we propose layer-wise index reuse to further reduce computational overhead. We evaluated ChunkKV on cutting-edge long-context benchmarks including LongBench and Needle-In-A-HayStack, as well as the GSM8K and JailbreakV in-context learning benchmark. Our experiments with instruction tuning and multi-step reasoning (O1 and R1) LLMs, achieve up to 10\% performance improvement under aggressive compression ratios compared to existing methods.

Reinforcement learning (RL) for continuous control often requires large amounts of online interaction data. Value-based RL methods can mitigate this burden by offering relatively high sample efficiency. Some studies further enhance sample efficiency by incorporating offline demonstration data to "kick-start" training, achieving promising results in continuous control. However, they typically compute the Q-function independently for each action dimension, neglecting interdependencies and making it harder to identify optimal actions when learning from suboptimal data, such as non-expert demonstration and online-collected data during the training process. To address these issues, we propose Auto-Regressive Soft Q-learning (ARSQ), a value-based RL algorithm that models Q-values in a coarse-to-fine, auto-regressive manner. First, ARSQ decomposes the continuous action space into discrete spaces in a coarse-to-fine hierarchy, enhancing sample efficiency for fine-grained continuous control tasks. Next, it auto-regressively predicts dimensional action advantages within each decision step, enabling more effective decision-making in continuous control tasks. We evaluate ARSQ on two continuous control benchmarks, RLBench and D4RL, integrating demonstration data into online training. On D4RL, which includes non-expert demonstrations, ARSQ achieves an average $1.62\times$ performance improvement over SOTA value-based baseline. On RLBench, which incorporates expert demonstrations, ARSQ surpasses various baselines, demonstrating its effectiveness in learning from suboptimal online-collected data.

The aim of this paper is to propose a novel framework to infer the sheaf Laplacian, including the topology of a graph and the restriction maps, from a set of data observed over the nodes of a graph. The proposed method is based on sheaf theory, which represents an important generalization of graph signal processing. The learning problem aims to find the sheaf Laplacian that minimizes the total variation of the observed data, where the variation over each edge is also locally minimized by optimizing the associated restriction maps. Compared to alternative methods based on semidefinite programming, our solution is significantly more numerically efficient, as all its fundamental steps are resolved in closed form. The method is numerically tested on data consisting of vectors defined over subspaces of varying dimensions at each node. We demonstrate how the resulting graph is influenced by two key factors: the cross-correlation and the dimensionality difference of the data residing on the graph's nodes.

In-Context Reinforcement Learning (ICRL) represents a promising paradigm for developing generalist agents that learn at inference time through trial-and-error interactions, analogous to how large language models adapt contextually, but with a focus on reward maximization. However, the scalability of ICRL beyond toy tasks and single-domain settings remains an open challenge. In this work, we present the first steps toward scaling ICRL by introducing a fixed, cross-domain model capable of learning behaviors through in-context reinforcement learning. Our results demonstrate that Algorithm Distillation, a framework designed to facilitate ICRL, offers a compelling and competitive alternative to expert distillation to construct versatile action models. These findings highlight the potential of ICRL as a scalable approach for generalist decision-making systems. Code to be released at https://github.com/dunnolab/vintix

Modern deep neural networks display striking examples of rich internal computational structure. Uncovering principles governing the development of such structure is a priority for the science of deep learning. In this paper, we explore the transient ridge phenomenon: when transformers are trained on in-context linear regression tasks with intermediate task diversity, they initially behave like ridge regression before specializing to the tasks in their training distribution. This transition from a general solution to a specialized solution is revealed by joint trajectory principal component analysis. Further, we draw on the theory of Bayesian internal model selection to suggest a general explanation for the phenomena of transient structure in transformers, based on an evolving tradeoff between loss and complexity. We empirically validate this explanation by measuring the model complexity of our transformers as defined by the local learning coefficient.