Current advanced defense strategies typically employ adversarial prompt tuning to improve the adversarial robustness of VLMs, which struggle to simultaneously maintain generalization across both natural and adversarial examples under different benchmarks and downstream tasks. We propose a collaborative adversarial prompt tuning (CoAPT) approach from pre-trained VLMs to target robust VLMs. Inspired by the image mask modeling, we adopt an improved real-time total variation algorithm to suppress and eliminate high-frequency details from images while preserving edge structures, thereby disrupting the adversarial perturbation space. Subsequently, guided by the high-level image and text representations in the latent space of the pre-trained VLMs, the corrupted natural features are restored while inheriting the superior generalization capability. Experiments on four benchmarks demonstrate that CoAPT achieves an excellent trade-off among natural generalization, adversarial robustness, and task-specific adaptation compared to state-of-the-art methods.

Reasoning models are large language models that emit a long chain-of-thought before answering, providing both higher accuracy and explicit reasoning for their response. A major question has been whether language model reasoning generalizes beyond mathematics, programming, and logic, where most previous work has focused. We demonstrate that reasoning models can be post-trained for chemistry without additional domain pretraining, and require substantially less data compared to contemporary domain-specific models. We report ether0, a 24B parameter LLM (based on Mistral-Small-24B) that can reason in natural language and respond with chemical structures. This reasoning model was trained with reinforcement learning on 640,730 experimentally-grounded chemistry problems across 375 tasks ranging from synthesizability, to blood-brain barrier permeability, to human receptor activity, to scent. Our model exceeds general-purpose chemistry models, frontier models, and human experts on molecular design tasks. It is also more data efficient relative to specialized models. We anticipate that this method can be applied to train data-efficient language models specialized for tasks across a wide variety of scientific domains.

Graph self-supervised learning (GSL) is essential for processing graph-structured data, reducing the need for manual labeling. Traditionally, this paradigm has extensively utilized Bayesian Personalized Ranking (BPR) as its primary loss function. Despite its widespread application, the theoretical analysis of its node relations evaluation have remained largely unexplored. This paper employs recent advancements in latent hyperbolic geometry to deepen our understanding of node relationships from a graph-theoretical perspective. We analyze BPR's limitations, particularly its reliance on local connectivity through 2-hop paths, which overlooks global connectivity and the broader topological structure.

We have recently witnessed that "Intelligence" and " Compression" are the two sides of the same coin, where the language large model (LLM) with unprecedented intelligence is a general-purpose lossless compressor for various data modalities. This attribute particularly appeals to the lossless image compression community, given the increasing need to compress high-resolution images in the current streaming media era. Consequently, a spontaneous envision emerges: Can the compression performance of the LLM elevate lossless image compression to new heights? However, our findings indicate that the naive application of LLM-based lossless image compressors suffers from a considerable performance gap compared with existing state-of-the-art (SOTA) codecs on common benchmark datasets. In light of this, we are dedicated to fulfilling the unprecedented intelligence (compression) capacity of the LLM for lossless image compression tasks, thereby bridging the gap between theoretical and practical compression performance. Specifically, we propose P2-LLM, a next-pixel prediction-based LLM, which integrates various elaborated insights and methodologies, e.g., pixel-level priors, the in-context ability of LLM, and a pixel-level semantic preservation strategy, to enhance the understanding capacity of pixel sequences for better next-pixel predictions. Extensive experiments on benchmark datasets demonstrate that P2-LLM can beat SOTA classical and learned codecs.

Time normalization is the task of converting natural language temporal expressions into machine-readable representations.

We introduce the Deep Edge Filter, a novel approach that applies high-pass filtering to deep neural network features to improve model generalizability. Our method is motivated by our hypothesis that neural networks encode task-relevant semantic information in high-frequency components while storing domain-specific biases in low-frequency components of deep features. By subtracting low-pass filtered outputs from original features, our approach isolates generalizable representations while preserving architectural integrity. Experimental results across diverse domains such as Vision, Text, 3D, and Audio demonstrate consistent performance improvements regardless of model architecture and data modality. Analysis reveals that our method induces feature sparsification and effectively isolates highfrequency components, providing empirical validation of our core hypothesis.

We introduce a new graph diffusion model for small drug molecule generation which simultaneously offers a 10-fold reduction in the number of diffusion steps when compared to existing methods, preservation of small molecule graph motifs via motif compression, and an average 3% improvement in SMILES validity over the DiGress model across all real-world molecule benchmarking datasets. Furthermore, our approach outperforms the state-of-the-art DeFoG method with respect to motif-conservation by roughly 4%, as evidenced by high ChEMBLlikeness, QED and newly introduced shingles distance scores. The key ideas behind the approach are to use a combination of deterministic and random subgraph perturbations, so that the node and edge noise schedules are codependent; to modify the loss function of the training process in order to exploit the deterministic component of the schedule; and, to "compress" a collection of highly relevant carbon ring and other motif structures into supernodes in a way that allows for simple subsequent integration into the molecular scaffold1.

Lithography orchestrates a symphony of light, mask and photochemicals to transfer the integrated circuit patterns onto the wafer. Lithography simulation serves as the critical nexus between circuit design and manufacturing, where its speed and accuracy fundamentally govern the optimization quality of downstream resolution enhancement techniques (RETs). While machine learning promises to circumvent computational limitations of lithography process through data-driven or physics-informed approximations of computational lithography, existing simulators suffer from inadequate lithographic awareness due to insufficient training data capturing essential process variations and mask correction rules.

Synthetic data refers to artificial samples generated by models. While it has been validated to significantly enhance the performance of large language models (LLMs) during training and has been widely adopted in LLM development, potential security risks it may introduce remain uninvestigated. This paper systematically evaluates the resilience of synthetic-data-integrated training paradigm for LLMs against mainstream poisoning and backdoor attacks. We reveal that such a paradigm exhibits strong resistance to existing attacks, primarily thanks to the different distribution patterns between poisoning data and queries used to generate synthetic samples. To enhance the effectiveness of these attacks and further investigate the security risks introduced by synthetic data, we introduce a novel and universal attack framework, namely, Virus Infection Attack (VIA), which enables the propagation of current attacks through synthetic data even under purely clean queries. Inspired by the principles of virus design in cybersecurity, VIA conceals the poisoning payload within a protective "shell" and strategically searches for optimal hijacking points in benign samples to maximize the likelihood of generating malicious content. Extensive experiments on both data poisoning and backdoor attacks show that VIA significantly increases the presence of poisoning content in synthetic data and correspondingly raises the attack success rate (ASR) on downstream models to levels comparable to those observed in the poisoned upstream models.

Neurosymbolic AI is growing in popularity thanks to its ability to combine neural perception and symbolic reasoning in end-to-end trainable models. However, recent findings reveal these are prone to shortcut reasoning, i.e., to learning unindented concepts-or neural predicates-which exploit spurious correlations to satisfy the symbolic constraints. In this paper, we address reasoning shortcuts at their root cause and we introduce Prototypical Neurosymbolic architectures. These models are able to satisfy the symbolic constraints (be right) because they have learnt the correct basic concepts (for the right reasons) and not because of spurious correlations, even in extremely low data regimes. Leveraging the theory of prototypical learning, we demonstrate that we can effectively avoid reasoning shortcuts by training the models to satisfy the background knowledge while taking into account the similarity of the input with respect to the handful of labelled datapoints. We extensively validate our approach on the recently proposed rsbenchbenchmark suite in a variety of settings and tasks with very scarce supervision: we show significant improvements in learning the right concepts both in synthetic tasks (MNIST-EvenOdd and Kand-Logic) and real-world, high-stake ones (BDD-OIA). Our findings pave the way to prototype grounding as an effective, annotation-efficient strategy for safe and reliable neurosymbolic learning.