Deep Learning
Prompting as Scientific Inquiry
Prompting is the primary method by which we study and control large language models. It is also one of the most powerful: nearly every major capability attributed to LLMs--few-shot learning, chain-of-thought, constitutional AI--was first unlocked through prompting. Yet prompting is rarely treated as science and is frequently frowned upon as alchemy. We argue that this is a category error. If we treat LLMs as a new kind of organism--complex, opaque, and trained rather than programmed--then prompting is not a workaround.
Region Recognition Reasoning and Refinement for Enhanced Chain of Thought
Recently, reasoning-based MLLMs have achieved a degree of success in generating long-form textual reasoning chains. However, they still struggle with complex tasks that necessitate dynamic and iterative focusing on and revisiting of visual regions to achieve precise grounding of textual reasoning in visual evidence. We introduce VLM-R3 (Visual Language Model with Region Recognition and Reasoning), a framework that equips an MLLM with the ability to (i) decide when additional visual evidence is needed, (ii) determine where to ground within the image, and (iii) seamlessly weave the relevant sub-image content back into an interleaved chain-of-thought. The core of our method is Region-Conditioned Reinforcement Policy Optimization (R-GRPO), a training paradigm that rewards the model for selecting informative regions, formulating appropriate transformations (e.g.
Set-LLM: APermutation-Invariant LLM
While large language models (LLMs) demonstrate impressive capabilities across numerous applications, their robustness remains a critical concern. This paper is motivated by a specific vulnerability: the order sensitivity of LLMs. This vulnerability manifests itself as the order bias observed when LLMs decide between possible options (for example, a preference for the first option) and the tendency of LLMs to provide different answers when options are reordered. The use cases for this scenario extend beyond the classical case of multiple-choice question answering to the use of LLMs for multidocument tasks and as automated evaluators in AI pipelines. We introduce Set-LLM, a novel architectural adaptation for pretrained LLMs that enables the processing of mixed set-text inputs with permutation invariance guarantees. The adaptations involve a new attention mask and new positional encodings specifically designed for sets. We provide a theoretical proof of invariance and demonstrate through experiments that Set-LLM can be trained effectively, achieving comparable or improved performance and maintaining the runtime of the original model, while altogether eliminating order sensitivity.
Accurate and Efficient Low-Rank Model Merging in Core Space
In this paper, we address the challenges associated with merging low-rank adaptations of large neural networks. With the rise of parameter-efficient adaptation techniques, such as Low-Rank Adaptation (LoRA), model fine-tuning has become more accessible. While fine-tuning models with LoRA is highly efficient, existing merging methods often sacrifice this efficiency by merging fully-sized weight matrices. We propose the Core Space merging framework, which enables the merging of LoRA-adapted models within a common alignment basis, thereby preserving the efficiency of low-rank adaptation while substantially improving accuracy across tasks. We further provide a formal proof that projection into Core Space ensures no loss of information and provide a complexity analysis showing the efficiency gains. Extensive empirical results demonstrate that Core Space significantly improves existing merging techniques and achieves state-of-the-art results on both vision and language tasks while utilizing a fraction of the computational resources.
Uncertainty Estimation on Graphs with Structure Informed Stochastic Partial Differential Equations
Graph Neural Networks (GNNs) have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult--especially under distributional shifts. Unlike traditional uncertainty estimation, graph-based uncertainty must account for randomness arising from both the graph's structure and its label distribution, which adds complexity. In this paper, making an analogy between the evolution of a stochastic partial differential equation (SPDE) driven by Matรฉrn Gaussian Process and message passing using GNN layers, we present a principled way to design a novel message passing scheme that incorporates spatial-temporal noises motivated by the Gaussian Process approach to SPDE. Our method simultaneously captures uncertainty across space and time and allows explicit control over the covariance kernel's smoothness, thereby enhancing uncertainty estimates on graphs with both low and high label informativeness. Our extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label informativeness demonstrate the soundness and superiority of our model to existing approaches.
Continuous Simplicial Neural Networks
Simplicial complexes provide a powerful framework for modeling higher-order interactions in structured data, making them particularly suitable for applications such as trajectory prediction and mesh processing. However, existing simplicial neural networks (SNNs), whether convolutional or attention-based, rely primarily on discrete filtering techniques, which can be restrictive. In contrast, partial differential equations (PDEs) on simplicial complexes offer a principled approach to capture continuous dynamics in such structures. In this work, we introduce continuous simplicial neural network (COSIMO), a novel SNN architecture derived from PDEs on simplicial complexes. We provide theoretical and experimental justifications of COSIMO's stability under simplicial perturbations. Furthermore, we investigate the over-smoothing phenomenon--a common issue in geometric deep learning--demonstrating that COSIMO offers better control over this effect than discrete SNNs. Our experiments on real-world datasets demonstrate that COSIMO achieves competitive performance compared to state-of-the-art SNNs in complex and noisy environments.
Lookahead Routing for Large Language Models
Large language model (LLM) routers improve the efficiency of multi-model systems by directing each query to the most appropriate model while leveraging the diverse strengths of heterogeneous LLMs. Most existing approaches frame routing as a classification problem based solely on the input query. While this reduces overhead by avoiding inference across all models, it overlooks valuable information that could be gleaned from potential outputs and fails to capture implicit intent or contextual nuances that often emerge only during response generation. These limitations can result in suboptimal routing decisions, particularly for complex or ambiguous queries that require deeper semantic understanding. To address this challenge, we propose Lookahead, a routing framework that "foresees" potential model outputs by predicting their latent representations and uses these predictions to guide model selection, thus enabling more informed routing without full inference. Within this framework, we implement two approaches based on causal and masked language models. Empirical evaluations across seven public benchmarks--spanning instruction following, mathematical reasoning, and code generation--show that Lookahead consistently outperforms existing routing baselines, achieving an average performance gain of 7.7% over the state-of-the-art.
Counterfactual Image Editing with Disentangled Causal Latent Space
The process of editing an image can be naturally modeled as evaluating a counterfactual query: "What would an image look like if a particular feature had changed?" While recent advances in text-guided image editing leverage powerful pre-trained models to produce visually appealing images, they often lack counterfactual consistency - ignoring how features are causally related and how changing one may affect others. In contrast, existing causal-based editing approaches offer solid theoretical foundations and perform well in specific settings, but remain limited in scalability and often rely on labeled data. In this work, we aim to bridge the gap between causal editing and large-scale text-to-image generation through two main contributions. First, we introduce Backdoor Disentangled Causal Latent Space (BD-CLS), a new class of latent spaces that allows for the encoding of causal inductive biases. One desirable property of this latent space is that, even under weak supervision, it can be shown to exhibit counterfactual consistency. Second, and building on this result, we develop BD-CLS-Edit, an algorithm capable of learning a BD-CLS from a (non-causal) pre-trained Stable Diffusion model. This enables counterfactual image editing without retraining. Our method ensures that edits respect the causal relationships among features, even when some features are unlabeled or unprompted and the original latent space is oblivious to the environment's underlying cause-and-effect relationships.
Adversarial Attacks against Closed-Source MLLMs via Feature Optimal Alignment
Multimodal large language models (MLLMs) remain vulnerable to transferable adversarial examples. While existing methods typically achieve targeted attacks by aligning global features--such as CLIP's [CLS] token--between adversarial and target samples, they often overlook the rich local information encoded in patch tokens. This leads to suboptimal alignment and limited transferability, particularly for closed-source models. To address this limitation, we propose a targeted transferable adversarial attack method based on feature optimal alignment, called FOA-Attack, to improve adversarial transfer capability. Specifically, at the global level, we introduce a global feature loss based on cosine similarity to align the coarse-grained features of adversarial samples with those of target samples. At the local level, given the rich local representations within Transformers, we leverage clustering techniques to extract compact local patterns to alleviate redundant local features. We then formulate local feature alignment between adversarial and target samples as an optimal transport (OT) problem and propose a local clustering optimal transport loss to refine fine-grained feature alignment. Additionally, we propose a dynamic ensemble model weighting strategy to adaptively balance the influence of multiple models during adversarial example generation, thereby further improving transferability. Extensive experiments across various models demonstrate the superiority of the proposed method, outperforming state-of-the-art methods, especially in transferring to closed-source MLLMs.