Deep Learning
PiKE: Adaptive Data Mixing for Large-Scale Multi-Task Learning Under Low Gradient Conflicts
Modern foundation models are trained on diverse datasets to enhance generalization across tasks and domains. A central challenge in this process is determining how to effectively mix and sample data from multiple sources. This naturally leads to a multi-task learning (MTL) perspective. While prior work in MTL has emphasized mitigating gradient conflicts, we observe that large-scale pretraining scenarios--such as multilingual or multi-domain training--often exhibit little to no gradient conflict. Motivated by this observation, we propose PiKE (Positive gradient interaction-based K-task weights Estimator), an adaptive data mixing algorithm that dynamically adjusts sampling weights during training. PiKE exploits non-conflicting gradient interactions to minimize a near-tight upper bound on the average loss decrease at each step, while incurring negligible computational overhead. We provide theoretical convergence guarantees and show that PiKE outperforms static and non-adaptive mixing baselines. Furthermore, we extend PiKE to promote balanced learning across tasks. Extensive experiments on largescale language model pretraining confirm that PiKE achieves faster convergence and improved downstream performance compared to existing approaches.
PhysioWave: AMulti-Scale Wavelet-Transformer for Physiological Signal Representation
Physiological signals are often corrupted by motion artifacts, baseline drift, and other low-SNR disturbances, which pose significant challenges for analysis. Additionally, these signals exhibit strong non-stationarity, with sharp peaks and abrupt changes that evolve continuously, making them difficult to represent using traditional time-domain or filtering methods. To address these issues, a novel waveletbased approach for physiological signal analysis is presented, aiming to capture multi-scale time-frequency features in various physiological signals. Leveraging this technique, two large-scale pretrained models specific to EMG and ECG are introduced for the first time, achieving superior performance and setting new baselines in downstream tasks. Additionally, a unified multi-modal framework is constructed by integrating pretrained EEG model, where each modality is guided through its dedicated branch and fused via learnable weighted fusion. This design effectively addresses challenges such as low signal-to-noise ratio, high inter-subject variability, and device mismatch, outperforming existing methods on multi-modal tasks. The proposed wavelet-based architecture lays a solid foundation for analysis of diverse physiological signals, while the multi-modal design points to nextgeneration physiological signal processing with potential impact on wearable health monitoring, clinical diagnostics, and broader biomedical applications.
Generalizable Insights for Graph Transformers in Theory and Practice
Graph transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to specific design choices and lack comprehensive empirical validation on large-scale data. This leaves a gap between theory and practice, preventing generalizable insights that exceed particular application domains. Here, we propose the GeneralizedDistance Transformer (GDT), a GT architecture based on standard attention that incorporates many recent advancements for GTs, and we develop a fine-grained understanding of the GDT's representation power in terms of attention and PEs. Through extensive experiments, we identify design choices that consistently perform well across various applications, tasks, and model scales, demonstrating strong performance in a few-shot transfer setting without fine-tuning. Our evaluation covers over eight million graphs with roughly 270M tokens across diverse domains, including image-based object detection, molecular property prediction, code summarization, and out-of-distribution algorithmic reasoning.
From Linear to Nonlinear: Provable Weak-to-Strong Generalization through Feature Learning
Weak-to-strong generalization refers to the phenomenon where a stronger model trained under supervision from a weaker one can outperform its teacher. While prior studies aim to explain this effect, most theoretical insights are limited to abstract frameworks or linear/random feature models. In this paper, we provide a formal analysis of weak-to-strong generalization from a linear CNN (weak) to a two-layer ReLUCNN (strong). We consider structured data composed of labeldependent signals of varying difficulty and label-independent noise, and analyze gradient descent dynamics when the strong model is trained on data labeled by the pretrained weak model. Our analysis identifies two regimes--data-scarce and data-abundant--based on the signal-to-noise characteristics of the dataset, and reveals distinct mechanisms of weak-to-strong generalization. In the datascarce regime, generalization occurs via benign overfitting or fails via harmful overfitting, depending on the amount of data, and we characterize the transition boundary. In the data-abundant regime, generalization emerges in the early phase through label correction, but we observe that overtraining can subsequently degrade performance.
LLMMeets Diffusion: AHybrid Framework for Crystal Material Generation
Recent advances in generative modeling have shown significant promise in designing novel periodic crystal structures. Existing approaches typically rely on either large language models (LLMs) or equivariant denoising models, each with complementary strengths: LLMs excel at handling discrete atomic types but often struggle with continuous features such as atomic positions and lattice parameters, while denoising models are effective at modeling continuous variables but encounter difficulties in generating accurate atomic compositions. To bridge this gap, we propose CrysLLMGen, a hybrid framework that integrates an LLM with a diffusion model to leverage their complementary strengths for crystal material generation. During sampling, CrysLLMGen first employs a fine-tuned LLM to produce an intermediate representation of atom types, atomic coordinates, and lattice structure. While retaining the predicted atom types, it passes the atomic coordinates and lattice structure to a pre-trained equivariant diffusion model for refinement. Our framework outperforms state-of-the-art generative models across several benchmark tasks and datasets. Specifically, CrysLLMGen not only achieves a balanced performance in terms of structural and compositional validity but also generates more stable and novel materials compared to LLM-based and denoisingbased models Furthermore, CrysLLMGen exhibits strong conditional generation capabilities, effectively producing materials that satisfy user-defined constraints.
LrcSSM block repeat #blocks times
We present LrcSSM, a non-linear recurrent model that processes long sequences as fast as today's linear state-space layers. By forcing its Jacobian matrix to be diagonal, the full sequence can be solved in parallel, giving O(TD) computational work and memory and only O(logT) sequential depth, for input-sequence length T and a state dimension D. Moreover, LrcSSM offers a formal gradient-stability guarantee that other input-varying systems such as Liquid-S4 and Mamba do not provide. Importantly, the diagonal Jacobian structure of our model results in no performance loss compared to the original model with dense Jacobian, and the approach can be generalized to other non-linear recurrent models, demonstrating broader applicability. On a suite of long-range forecasting tasks, we demonstrate that LrcSSM outperforms Transformers, LRU, S5, and Mamba.
Foresight: Adaptive Layer Reuse for Accelerated and High-Quality Text-to-Video Generation
Diffusion Transformers (DiTs) achieve state-of-the-art results in text-to-image, text-to-video generation, and editing. However, their large model size and the quadratic cost of spatial-temporal attention over multiple denoising steps make video generation computationally expensive. Static caching mitigates this by reusing features across fixed steps but fails to adapt to generation dynamics, leading to suboptimal trade-offs between speed and quality. We propose Foresight, an adaptive layer-reuse technique that reduces computational redundancy across denoising steps while preserving baseline performance. Foresight dynamically identifies and reuses DiT block outputs for all layers across steps, adapting to generation parameters such as resolution and denoising schedules to optimize efficiency. Applied to OpenSora, Latte, and CogVideoX, Foresight achieves up to 1.63 end-to-end speedup, while maintaining video quality.
Sampling 3DMolecular Conformers with Diffusion Transformers
Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces novel challenges, such as integrating discrete molecular graph information with continuous 3D geometry, handling Euclidean symmetries, and designing conditioning mechanisms that generalize across molecules of varying sizes and structures. We propose DiTMC, a framework that adapts DiTs to address these challenges through a modular architecture that separates the processing of 3D coordinates from conditioning on atomic connectivity. To this end, we introduce two complementary graph-based conditioning strategies that integrate seamlessly with the DiT architecture. These are combined with different attention mechanisms, including both standard non-equivariant and SO(3)-equivariant formulations, enabling flexible control over the trade-off between between accuracy and computational efficiency. Experiments on standard conformer generation benchmarks (GEOMQM9, -DRUGS, -XL) demonstrate that DiTMC achieves state-of-the-art precision and physical validity. Our results highlight how architectural choices and symmetry priors affect sample quality and efficiency, suggesting promising directions for large-scale generative modeling of molecular structures.
Principled Fine-tuning of LLMs from User-Edits: AMedley of Preference, Supervision, and Reward
We study how to fine-tune LLMs using user-edit deployment data consisting of a set of context, an agent's response, and user edits. This deployment data is naturally generated by users in applications such as LLMs-based writing assistants and coding agents. The natural origin of user edits makes it a desired source for adapting and personalizing of LLMs. In this setup, there emerges a unification of various feedback types namely preferences, supervised labels, and cost that are typically studied separately in the literature. In this paper, we initiate the theoretical investigation of learning from user edits.