Reasoning models are large language models that use extra thought tokens 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 in scientific domains 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 577,790 experimentally-grounded chemistry tasks involving synthesized organic molecules. Our model outperforms all previous general-purpose chemistry models, frontier models, and humans, and is more data efficient relative to specialized models. We anticipate that this method can be applied to train highly data-efficient language models specialized for predictive and generative tasks across a wide variety of scientific domains.

Scaling up self-supervised learning has driven breakthroughs in language and vision, yet comparable progress has remained elusive in reinforcement learning (RL). In this paper, we study building blocks for self-supervised RL that unlock substantial improvements in scalability, with network depth serving as a critical factor. Whereas most RL papers in recent years have relied on shallow architectures (around 2 -- 5 layers), we demonstrate that increasing the depth up to 1024 layers can significantly boost performance. Our experiments are conducted in an unsupervised goal-conditioned setting, where no demonstrations or rewards are provided, so an agent must explore (from scratch) and learn how to maximize the likelihood of reaching commanded goals.

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 present LongVPO, a novel two stage Direct Preference Optimization framework that enables short context vision language models to robustly understand ultra long videos without any long video annotations. In Stage 1, we synthesize preference triples by anchoring questions to individual short clips, interleaving them with distractors, and applying visual similarity and question specificity filtering to mitigate positional bias and ensure unambiguous supervision.

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 is particularly appealing 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 P -LLM, a next-pixel prediction-based LLM, which integrates various elaborated insights and methodologies, \textit{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 P-LLM can beat SOTA classical and learned codecs.

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

Synthetic oversampling of minority examples using SMOTE and its variants is a leading strategy for addressing imbalanced classification problems. Despite the success of this approach in practice, its theoretical foundations remain underexplored. We develop a theoretical framework to analyze the behavior of SMOTE and related methods when classifiers are trained on synthetic data. We first derive a uniform concentration bound on the discrepancy between the empirical risk over synthetic minority samples and the population risk on the true minority distribution. We then provide a nonparametric excess risk guarantee for kernel-based classifiers trained using such synthetic data. These results lead to practical guidelines for better parameter tuning of both SMOTE and the downstream learning algorithm. Numerical experiments are provided to illustrate and support the theoretical findings.

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 high-frequency 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 ChEMBL-likeness, 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 scaffold.

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 (RET). 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.