Xiang Zhou

Archiki Prasad, Peter Hase, Xiang Zhou et al.

Providing natural language instructions in prompts is a useful new paradigm for improving task performance of large language models in a zero-shot setting. Recent work has aimed to improve such prompts via manual rewriting or gradient-based tuning. However, manual rewriting is time-consuming and requires subjective interpretation, while gradient-based tuning can be extremely computationally demanding for large models and may not be feasible for API-based models. In this work, we introduce Gradient-free Instructional Prompt Search (GrIPS), a gradient-free, edit-based search approach for improving task instructions for large language models. GrIPS takes in instructions designed for humans and automatically returns an improved, edited prompt, while allowing for API-based tuning. With InstructGPT models, GrIPS improves the average task performance by up to 4.30 percentage points on eight classification tasks from the Natural Instructions dataset (with similar improvements for OPT, BLOOM, and FLAN-T5). We see improvements for both instruction-only prompts and instruction + k-shot examples prompts. Notably, GrIPS outperforms manual rewriting and purely example-based prompts while controlling for the available compute and data budget. Further, performance of GrIPS is comparable to select gradient-based tuning approaches. Qualitatively, we show our edits can simplify instructions and at times make them incoherent but nonetheless improve accuracy. Our code is available at: https://github.com/archiki/GrIPS

Archiki Prasad, Swarnadeep Saha, Xiang Zhou et al.

Multi-step reasoning ability is fundamental to many natural language tasks, yet it is unclear what constitutes a good reasoning chain and how to evaluate them. Most existing methods focus solely on whether the reasoning chain leads to the correct conclusion, but this answer-oriented view may confound reasoning quality with other spurious shortcuts to predict the answer. To bridge this gap, we evaluate reasoning chains by viewing them as informal proofs that derive the final answer. Specifically, we propose ReCEval (Reasoning Chain Evaluation), a framework that evaluates reasoning chains via two key properties: (1) correctness, i.e., each step makes a valid inference based on information contained within the step, preceding steps, and input context, and (2) informativeness, i.e., each step provides new information that is helpful towards deriving the generated answer. We evaluate these properties by developing metrics using natural language inference models and V-Information. On multiple datasets, we show that ReCEval effectively identifies various error types and yields notable improvements compared to prior methods. We analyze the impact of step boundaries, and previous steps on evaluating correctness and demonstrate that our informativeness metric captures the expected flow of information in high-quality reasoning chains. Finally, we show that scoring reasoning chains based on ReCEval improves downstream task performance. Our code is publicly available at: https://github.com/archiki/ReCEval

Maxime Gasse, Quentin Cappart, Jonas Charfreitag et al. · deepmind, utoronto

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning as a new approach for solving combinatorial problems, either directly as solvers or by enhancing exact solvers. Based on this context, the ML4CO aims at improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components. The competition featured three challenging tasks: finding the best feasible solution, producing the tightest optimality certificate, and giving an appropriate solver configuration. Three realistic datasets were considered: balanced item placement, workload apportionment, and maritime inventory routing. This last dataset was kept anonymous for the contestants.

Yichen Jiang, Xiang Zhou, Mohit Bansal

Recent datasets expose the lack of the systematic generalization ability in standard sequence-to-sequence models. In this work, we analyze this behavior of seq2seq models and identify two contributing factors: a lack of mutual exclusivity bias (i.e., a source sequence already mapped to a target sequence is less likely to be mapped to other target sequences), and the tendency to memorize whole examples rather than separating structures from contents. We propose two techniques to address these two issues respectively: Mutual Exclusivity Training that prevents the model from producing seen generations when facing novel, unseen examples via an unlikelihood-based loss; and prim2primX data augmentation that automatically diversifies the arguments of every syntactic function to prevent memorizing and provide a compositional inductive bias without exposing test-set data. Combining these two techniques, we show substantial empirical improvements using standard sequence-to-sequence models (LSTMs and Transformers) on two widely-used compositionality datasets: SCAN and COGS. Finally, we provide analysis characterizing the improvements as well as the remaining challenges, and provide detailed ablations of our method. Our code is available at https://github.com/owenzx/met-primaug

Norman P. Jouppi, George Kurian, Sheng Li et al.

In response to innovations in machine learning (ML) models, production workloads changed radically and rapidly. TPU v4 is the fifth Google domain specific architecture (DSA) and its third supercomputer for such ML models. Optical circuit switches (OCSes) dynamically reconfigure its interconnect topology to improve scale, availability, utilization, modularity, deployment, security, power, and performance; users can pick a twisted 3D torus topology if desired. Much cheaper, lower power, and faster than Infiniband, OCSes and underlying optical components are <5% of system cost and <3% of system power. Each TPU v4 includes SparseCores, dataflow processors that accelerate models that rely on embeddings by 5x-7x yet use only 5% of die area and power. Deployed since 2020, TPU v4 outperforms TPU v3 by 2.1x and improves performance/Watt by 2.7x. The TPU v4 supercomputer is 4x larger at 4096 chips and thus ~10x faster overall, which along with OCS flexibility helps large language models. For similar sized systems, it is ~4.3x-4.5x faster than the Graphcore IPU Bow and is 1.2x-1.7x faster and uses 1.3x-1.9x less power than the Nvidia A100. TPU v4s inside the energy-optimized warehouse scale computers of Google Cloud use ~3x less energy and produce ~20x less CO2e than contemporary DSAs in a typical on-premise data center.

Xiang Zhou, Shiyue Zhang, Mohit Bansal

Previous Part-Of-Speech (POS) induction models usually assume certain independence assumptions (e.g., Markov, unidirectional, local dependency) that do not hold in real languages. For example, the subject-verb agreement can be both long-term and bidirectional. To facilitate flexible dependency modeling, we propose a Masked Part-of-Speech Model (MPoSM), inspired by the recent success of Masked Language Models (MLM). MPoSM can model arbitrary tag dependency and perform POS induction through the objective of masked POS reconstruction. We achieve competitive results on both the English Penn WSJ dataset as well as the universal treebank containing 10 diverse languages. Though modeling the long-term dependency should ideally help this task, our ablation study shows mixed trends in different languages. To better understand this phenomenon, we design a novel synthetic experiment that can specifically diagnose the model's ability to learn tag agreement. Surprisingly, we find that even strong baselines fail to solve this problem consistently in a very simplified setting: the agreement between adjacent words. Nonetheless, MPoSM achieves overall better performance. Lastly, we conduct a detailed error analysis to shed light on other remaining challenges. Our code is available at https://github.com/owenzx/MPoSM

Xueming Liu, Lin Li, Xiang Zhou et al.

This paper proposes a cooperative target circumnavigation framework for multiple unmanned surface vehicles (USVs) operating without external localization. The objective is to maintain a uniform circular formation of a specified radius around a target using only limited onboard sensing. The framework adopts a heterogeneous perception strategy that distinguishes between the asymmetric sensing relationships with the target and among the USVs. Specifically, the USVs obtain relative range and displacement measurements through active perception and inter-vehicle communication, while bearing measurements to a non-cooperative target are acquired via passive sensors. To estimate relative positions--both among USVs and between each USV and the target--we employ a Maximum Correntropy Kalman Filter and a Pseudo-Linear Kalman Filter, respectively. A coupled oscillator-based formation controller is designed to ensure system observability while achieving circumnavigation. Theoretical analysis demonstrates that the controller ensures the relative motions between the USVs, as well as that between each USV and the target, satisfy the persistent excitation condition, thereby guaranteeing observability of the Kalman-based filters. The effectiveness of the proposed approach is validated through numerical simulations.

Cenyuan Zhang, Xiang Zhou, Yixin Wan et al.

Existing studies have demonstrated that adversarial examples can be directly attributed to the presence of non-robust features, which are highly predictive, but can be easily manipulated by adversaries to fool NLP models. In this study, we explore the feasibility of capturing task-specific robust features, while eliminating the non-robust ones by using the information bottleneck theory. Through extensive experiments, we show that the models trained with our information bottleneck-based method are able to achieve a significant improvement in robust accuracy, exceeding performances of all the previously reported defense methods while suffering almost no performance drop in clean accuracy on SST-2, AGNEWS and IMDB datasets.

Shuting Gu, Xiang Zhou

Among numerical methods for partial differential equations arising from steepest descent dynamics of energy functionals (e.g., Allen-Cahn and Cahn-Hilliard equations), the convex splitting method is well-known to maintain unconditional energy stability for a large time step size. In this work, we show how to use the convex splitting idea to find transition states, i.e., index-1 saddle points of the same energy functionals. Based on the iterative minimization formulation (IMF) for saddle points (SIAM J. Numer. Anal., vol. 53, p1786, 2015), we introduce the convex splitting method to minimize the auxiliary functional at each cycle of the IMF. We present a general principle of constructing convex splitting forms for these auxiliary functionals and show how to avoid solving nonlinear equations. The new numerical scheme based on the convex splitting method allows for large time step sizes. The new methods are tested for the one dimensional Ginzburg-Landau energy functional in the search of the Allen-Cahn or Cahn-Hilliard types of transition states. We provide the numerical results of transition states for the two dimensional Landau-Brazovskii energy functional for diblock copolymers.

Yu Cao, Jingrun Chen, Yixin Luo et al.

The diffusion model has shown remarkable success in computer vision, but it remains unclear whether the ODE-based probability flow or the SDE-based diffusion model is more superior and under what circumstances. Comparing the two is challenging due to dependencies on data distributions, score training, and other numerical issues. In this paper, we study the problem mathematically for two limiting scenarios: the zero diffusion (ODE) case and the large diffusion case. We first introduce a pulse-shape error to perturb the score function and analyze error accumulation of sampling quality, followed by a thorough analysis for generalization to arbitrary error. Our findings indicate that when the perturbation occurs at the end of the generative process, the ODE model outperforms the SDE model with a large diffusion coefficient. However, when the perturbation occurs earlier, the SDE model outperforms the ODE model, and we demonstrate that the error of sample generation due to such a pulse-shape perturbation is exponentially suppressed as the diffusion term's magnitude increases to infinity. Numerical validation of this phenomenon is provided using Gaussian, Gaussian mixture, and Swiss roll distribution, as well as realistic datasets like MNIST and CIFAR-10.

Xiang Zhou, Yichen Jiang, Mohit Bansal

Recent diagnostic datasets on compositional generalization, such as SCAN (Lake and Baroni, 2018) and COGS (Kim and Linzen, 2020), expose severe problems in models trained from scratch on these datasets. However, in contrast to this poor performance, state-of-the-art models trained on larger and more general datasets show better generalization ability. In this work, to reconcile this inconsistency, we conduct an empirical analysis by training Transformer models on a variety of training sets with different data factors, including dataset scale, pattern complexity, example difficulty, etc. First, we show that increased dataset complexity can lead to better generalization behavior on multiple different generalization challenges. To further understand this improvement, we show two axes of the benefit from more complex datasets: they provide more diverse examples so compositional understanding becomes more effective, and they also prevent ungeneralizable memorization of the examples due to reduced example repetition frequency. Finally, we explore how training examples of different difficulty levels influence generalization differently. On synthetic datasets, simple examples invoke stronger compositionality than hard examples do. On larger-scale real language datasets, while hard examples become more important potentially to ensure decent data coverage, a balanced mixture of simple and hard examples manages to induce the strongest generalizability. The code and data for this work are available at https://github.com/owenzx/data4comp

Tonghua Su, Fuxiang Yang, Xiang Zhou et al.

In this work, we propose a task called "Scene Style Text Editing (SSTE)", changing the text content as well as the text style of the source image while keeping the original text scene. Existing methods neglect to fine-grained adjust the style of the foreground text, such as its rotation angle, color, and font type. To tackle this task, we propose a quadruple framework named "QuadNet" to embed and adjust foreground text styles in the latent feature space. Specifically, QuadNet consists of four parts, namely background inpainting, style encoder, content encoder, and fusion generator. The background inpainting erases the source text content and recovers the appropriate background with a highly authentic texture. The style encoder extracts the style embedding of the foreground text. The content encoder provides target text representations in the latent feature space to implement the content edits. The fusion generator combines the information yielded from the mentioned parts and generates the rendered text images. Practically, our method is capable of performing promisingly on real-world datasets with merely string-level annotation. To the best of our knowledge, our work is the first to finely manipulate the foreground text content and style by deeply semantic editing in the latent feature space. Extensive experiments demonstrate that QuadNet has the ability to generate photo-realistic foreground text and avoid source text shadows in real-world scenes when editing text content.

Jingrun Chen, Ling Lin, Zhiwen Zhang et al.

Exciton diffusion length plays a vital role in the function of opto-electronic devices. Oftentimes, the domain occupied by an organic semiconductor is subject to surface measurement error. In many experiments, photoluminescence over the domain is measured and used as the observation data to estimate this length parameter in an inverse manner based on the least square method. However, the result is sometimes found to be sensitive to the surface geometry of the domain. In this paper, we employ a random function representation for the uncertain surface of the domain. After non-dimensionalization, the forward model becomes a diffusion-type equation over the domain whose geometric boundary is subject to small random perturbations. We propose an asymptotic-based method as an approximate forward solver whose accuracy is justified both theoretically and numerically. It only requires solving several deterministic problems over a fixed domain. Therefore, for the same accuracy requirements we tested here, the running time of our approach is more than one order of magnitude smaller than that of directly solving the original stochastic boundary-value problem by the stochastic collocation method. In addition, from numerical results, we find that the correlation length of randomness is important to determine whether a 1D reduced model is a good surrogate for the 2D model.

Weichen Zhang, Xiang Zhou, Yukang Cao et al.

We address the problem of photorealistic 3D face avatar synthesis from sparse images. Existing Parametric models for face avatar reconstruction struggle to generate details that originate from inputs. Meanwhile, although current NeRF-based avatar methods provide promising results for novel view synthesis, they fail to generalize well for unseen expressions. We improve from NeRF and propose a novel framework that, by leveraging the parametric 3DMM models, can reconstruct a high-fidelity drivable face avatar and successfully handle the unseen expressions. At the core of our implementation are structured displacement feature and semantic-aware learning module. Our structured displacement feature will introduce the motion prior as an additional constraints and help perform better for unseen expressions, by constructing displacement volume. Besides, the semantic-aware learning incorporates multi-level prior, e.g., semantic embedding, learnable latent code, to lift the performance to a higher level. Thorough experiments have been doen both quantitatively and qualitatively to demonstrate the design of our framework, and our method achieves much better results than the current state-of-the-arts.

Nathanael Tepakbong, Hanyu Hu, Chengyu Liu et al.

Physics-Informed Neural Networks (PINNs) often train slowly or fail to converge on challenging partial differential equations (PDEs), a behavior recently linked to severely ill-conditioned loss landscapes inherited from the underlying differential operator. We study PINNs augmented with a pointwise data-fidelity term, added at a few points in the domain to the standard residual and boundary losses. We show that this supervision term acts as an operator-level preconditioner: for suitable weights, our comparison bounds guarantee a substantially smaller condition number than under the standard PINN loss, independently of how the pointwise labels are obtained. For a broad class of PDEs admitting a Feynman-Kac (FK) representation, we generate such labels by Monte Carlo averages of the FK functional, resulting in what we call ``FK-PINNs", and using the excess risk decomposition approach, we derive non-asymptotic $L^2(Ω)$-error bounds for FK-PINNs with $\tanh$ activation trained by finitely many steps of gradient descent. Along the way, we establish pseudo-dimension bounds for first- and second-order derivatives of $\tanh$ neural networks, which are of independent interest and, to the best of our knowledge, new. Numerical experiments on Poisson, Schrödinger, mean exit time, and committor problems corroborate the theory, and show that FK-PINNs can successfully solve PDEs for which standard PINNs exhibit severe failure modes.

Chengyuan Liu, Fubang Zhao, Yangyang Kang et al.

Universal Information Extraction (UIE) is an area of interest due to the challenges posed by varying targets, heterogeneous structures, and demand-specific schemas. However, previous works have only achieved limited success by unifying a few tasks, such as Named Entity Recognition (NER) and Relation Extraction (RE), which fall short of being authentic UIE models particularly when extracting other general schemas such as quadruples and quintuples. Additionally, these models used an implicit structural schema instructor, which could lead to incorrect links between types, hindering the model's generalization and performance in low-resource scenarios. In this paper, we redefine the authentic UIE with a formal formulation that encompasses almost all extraction schemas. To the best of our knowledge, we are the first to introduce UIE for any kind of schemas. In addition, we propose RexUIE, which is a Recursive Method with Explicit Schema Instructor for UIE. To avoid interference between different types, we reset the position ids and attention mask matrices. RexUIE shows strong performance under both full-shot and few-shot settings and achieves State-of-the-Art results on the tasks of extracting complex schemas.

Jinxi Xiang, Mingjie Li, Siyu Hou et al.

Accurate diagnosis and treatment of complex diseases require integrating histological, molecular, and clinical data, yet in practice these modalities are often incomplete owing to tissue scarcity, assay cost, and workflow constraints. Existing computational approaches attempt to impute missing modalities from available data but rely on task-specific models trained on narrow, single source-target pairs, limiting their generalizability. Here we introduce MuPD (Multimodal Pathology Diffusion), a generative foundation model that embeds hematoxylin and eosin (H&E)-stained histology, molecular RNA profiles, and clinical text into a shared latent space through a diffusion transformer with decoupled cross-modal attention. Pretrained on 100 million histology image patches, 1.6 million text-histology pairs, and 10.8 million RNA-histology pairs spanning 34 human organs, MuPD supports diverse cross-modal synthesis tasks with minimal or no task-specific fine-tuning. For text-conditioned and image-to-image generation, MuPD synthesizes histologically faithful tissue architectures, reducing Fréchet inception distance (FID) scores by 50% relative to domain-specific models and improving few-shot classification accuracy by up to 47% through synthetic data augmentation. For RNA-conditioned histology generation, MuPD reduces FID by 23% compared with the next-best method while preserving cell-type distributions across five cancer types. As a virtual stainer, MuPD translates H&E images to immunohistochemistry and multiplex immunofluorescence, improving average marker correlation by 37% over existing approaches. These results demonstrate that a single, unified generative model pretrained across heterogeneous pathology modalities can substantially outperform specialized alternatives, providing a scalable computational framework for multimodal histopathology.

Yuchen Yang, Yuqing Shao, Duxiu Huang et al.

Sports have long attracted broad attention as they push the limits of human physical and cognitive capabilities. Amid growing interest in spatial intelligence for vision-language models (VLMs), sports provide a natural testbed for understanding high-intensity human motion and dynamic object interactions. To this end, we present CourtSI, the first large-scale spatial intelligence dataset tailored to sports scenarios. CourtSI contains over 1M QA pairs, organized under a holistic taxonomy that systematically covers spatial counting, distance measurement, localization, and relational reasoning, across representative net sports including badminton, tennis, and table tennis. Leveraging well-defined court geometry as metric anchors, we develop a semi-automatic data engine to reconstruct sports scenes, enabling scalable curation of CourtSI. In addition, we introduce CourtSI-Bench, a high-quality evaluation benchmark comprising 3,686 QA pairs with rigorous human verification. We evaluate 25 proprietary and open-source VLMs on CourtSI-Bench, revealing a remaining human-AI performance gap and limited generalization from existing spatial intelligence benchmarks. These findings indicate that sports scenarios expose limitations in spatial intelligence capabilities captured by existing benchmarks. Further, fine-tuning Qwen3-VL-8B on CourtSI improves accuracy on CourtSI-Bench by 23.5 percentage points. The adapted model also generalizes effectively to CourtSI-Ext, an evaluation set built on a similar but unseen sport, and demonstrates enhanced spatial-aware commentary generation. Together, these findings demonstrate that CourtSI provides a scalable pathway toward advancing spatial intelligence of VLMs in sports.

Xiang Zhou, Yuan Zeng, Yi Gong

Recent advances in deep generative adversarial networks (GAN) and self-attention mechanism have led to significant improvements in the challenging task of inpainting large missing regions in an image. These methods integrate self-attention mechanism in neural networks to utilize surrounding neural elements based on their correlation and help the networks capture long-range dependencies. Temperature is a parameter in the Softmax function used in the self-attention, and it enables biasing the distribution of attention scores towards a handful of similar patches. Most existing self-attention mechanisms in image inpainting are convolution-based and set the temperature as a constant, performing patch matching in a limited feature space. In this work, we analyze the artifacts and training problems in previous self-attention mechanisms, and redesign the temperature learning network as well as the self-attention mechanism to address them. We present an image inpainting framework with a multi-head temperature masked self-attention mechanism, which provides stable and efficient temperature learning and uses multiple distant contextual information for high quality image inpainting. In addition to improving image quality of inpainting results, we generalize the proposed model to user-guided image editing by introducing a new sketch generation method. Extensive experiments on various datasets such as Paris StreetView, CelebA-HQ and Places2 clearly demonstrate that our method not only generates more natural inpainting results than previous works both in terms of perception image quality and quantitative metrics, but also enables to help users to generate more flexible results that are related to their sketch guidance.

Jiayue Han, Zhiqiang Cai, Zhiyou Wu et al.

Adaptive training methods for Physics-informed neural network (PINN) require dedicated constructions of the distribution of weights assigned at each training sample. To efficiently seek such an optimal weight distribution is not a simple task and most existing methods choose the adaptive weights based on approximating the full distribution or the maximum of residuals. In this paper, we show that the bottleneck in the adaptive choice of samples for training efficiency is the behavior of the tail distribution of the numerical residual. Thus, we propose the Residual-Quantile Adjustment (RQA) method for a better weight choice for each training sample. After initially setting the weights proportional to the $p$-th power of the residual, our RQA method reassign all weights above $q$-quantile ($90\%$ for example) to the median value, so that the weight follows a quantile-adjusted distribution derived from the residuals. This iterative reweighting technique, on the other hand, is also very easy to implement. Experiment results show that the proposed method can outperform several adaptive methods on various partial differential equation (PDE) problems.

Jinxi Xiang, Siyu Hou, Yuchen Li et al.

Spatial transcriptomics (ST) enables gene expression mapping within anatomical context but remains costly and low-throughput. Hematoxylin and eosin (H\&E) staining offers rich morphology yet lacks molecular resolution. We present \textbf{\ours} (\textbf{S}patial \textbf{T}ranscriptomics and hist\textbf{O}logy \textbf{R}epresentation \textbf{M}odel), a foundation model trained on 1.2 million spatially resolved transcriptomic profiles with matched histology across 18 organs. Using a hierarchical architecture integrating morphological features, gene expression, and spatial context, STORM bridges imaging and omics through robust molecular--morphological representations. STORM enhances spatial domain discovery, producing biologically coherent tissue maps, and outperforms existing methods in predicting spatial gene expression from H\&E images across 11 tumor types. The model is platform-agnostic, performing consistently across Visium, Xenium, Visium HD, and CosMx. Applied to 23 independent cohorts comprising 7,245 patients, STORM significantly improves immunotherapy response prediction and prognostication over established biomarkers, providing a scalable framework for spatially informed discovery and clinical precision medicine.

Gemini Team, Petko Georgiev, Ving Ian Lei et al. · deepmind, mila

In this report, we introduce the Gemini 1.5 family of models, representing the next generation of highly compute-efficient multimodal models capable of recalling and reasoning over fine-grained information from millions of tokens of context, including multiple long documents and hours of video and audio. The family includes two new models: (1) an updated Gemini 1.5 Pro, which exceeds the February version on the great majority of capabilities and benchmarks; (2) Gemini 1.5 Flash, a more lightweight variant designed for efficiency with minimal regression in quality. Gemini 1.5 models achieve near-perfect recall on long-context retrieval tasks across modalities, improve the state-of-the-art in long-document QA, long-video QA and long-context ASR, and match or surpass Gemini 1.0 Ultra's state-of-the-art performance across a broad set of benchmarks. Studying the limits of Gemini 1.5's long-context ability, we find continued improvement in next-token prediction and near-perfect retrieval (>99%) up to at least 10M tokens, a generational leap over existing models such as Claude 3.0 (200k) and GPT-4 Turbo (128k). Finally, we highlight real-world use cases, such as Gemini 1.5 collaborating with professionals on completing their tasks achieving 26 to 75% time savings across 10 different job categories, as well as surprising new capabilities of large language models at the frontier; when given a grammar manual for Kalamang, a language with fewer than 200 speakers worldwide, the model learns to translate English to Kalamang at a similar level to a person who learned from the same content.

Xiaoai Xu, Yixuan Zhou, Xiang Zhou et al.

Predicting critical transitions in complex systems, such as epileptic seizures in the brain, represents a major challenge in scientific research. The high-dimensional characteristics and hidden critical signals further complicate early-warning tasks. This study proposes a novel early-warning framework that integrates manifold learning with stochastic dynamical system modeling. Through systematic comparison, six methods including diffusion maps (DM) are selected to construct low-dimensional representations. Based on these, a data-driven stochastic differential equation model is established to robustly estimate the probability evolution scoring function of the system. Building on this, a new Score Function (SF) indicator is defined by incorporating Schrödinger bridge theory to quantify the likelihood of significant state transitions in the system. Experiments demonstrate that this indicator exhibits higher sensitivity and robustness in epilepsy prediction, enables earlier identification of critical points, and clearly captures dynamic features across various stages before and after seizure onset. This work provides a systematic theoretical framework and practical methodology for extracting early-warning signals from high-dimensional data.

Gheorghe Comanici, Eric Bieber, Mike Schaekermann et al. · amazon-science, baidu

In this report, we introduce the Gemini 2.X model family: Gemini 2.5 Pro and Gemini 2.5 Flash, as well as our earlier Gemini 2.0 Flash and Flash-Lite models. Gemini 2.5 Pro is our most capable model yet, achieving SoTA performance on frontier coding and reasoning benchmarks. In addition to its incredible coding and reasoning skills, Gemini 2.5 Pro is a thinking model that excels at multimodal understanding and it is now able to process up to 3 hours of video content. Its unique combination of long context, multimodal and reasoning capabilities can be combined to unlock new agentic workflows. Gemini 2.5 Flash provides excellent reasoning abilities at a fraction of the compute and latency requirements and Gemini 2.0 Flash and Flash-Lite provide high performance at low latency and cost. Taken together, the Gemini 2.X model generation spans the full Pareto frontier of model capability vs cost, allowing users to explore the boundaries of what is possible with complex agentic problem solving.

Ruichen Shao, Bei Li, Gangao Liu et al.

Direct Preference Optimization (DPO) has gained attention as an efficient alternative to reinforcement learning from human feedback (RLHF) for aligning large language models (LLMs) with human preferences. Despite its advantages, DPO suffers from a length bias, generating responses longer than those from the reference model. Existing solutions like SimPO and SamPO address this issue but uniformly treat the contribution of rewards across sequences, overlooking temporal dynamics. To this end, we propose an enhanced preference optimization method that incorporates a temporal decay factor controlled by a gamma parameter. This dynamic weighting mechanism adjusts the influence of each reward based on its position in the sequence, prioritizing earlier tokens that are more critical for alignment. By adaptively focusing on more relevant feedback, our approach mitigates overfitting to less pertinent data and remains responsive to evolving human preferences. Experimental results on several benchmarks show that our approach consistently outperforms vanilla DPO by 5.9-8.8 points on AlpacaEval 2 and 3.3-9.7 points on Arena-Hard across different model architectures and sizes. Furthermore, additional experiments on mathematical and reasoning benchmarks (MMLU, GSM8K, and MATH) confirm that our method enhances performance without compromising general capabilities. Our codebase would be available at \url{https://github.com/LotuSrc/D2PO}.

Jiayue Han, Shuting Gu, Xiang Zhou

Rare transition events in meta-stable systems under noisy fluctuations are crucial for many non-equilibrium physical and chemical processes. In these processes, the primary contributions to reactive flux are predominantly near the transition pathways that connect two meta-stable states. Efficient computation of these paths is essential in computational chemistry. In this work, we examine the temperature-dependent maximum flux path, the minimum energy path, and the minimum action path at zero temperature. We propose the StringNET method for training these paths using variational formulations and deep learning techniques. Unlike traditional chain-of-state methods, StringNET directly parametrizes the paths through neural network functions, utilizing the arc-length parameter as the main input. The tasks of gradient descent and re-parametrization in the string method are unified into a single framework using loss functions to train deep neural networks. More importantly, the loss function for the maximum flux path is interpreted as a softmax approximation to the numerically challenging minimax problem of the minimum energy path. To compute the minimum energy path efficiently and robustly, we developed a pre-training strategy that includes the maximum flux path loss in the early training stage, significantly accelerating the computation of minimum energy and action paths. We demonstrate the superior performance of this method through various analytical and chemical examples, as well as the two- and four-dimensional Ginzburg-Landau functional energy.

Xiang Zhou, Hong Shang, Zijian Zhan et al.

Deep unrolled models (DUMs) have become the state of the art for accelerated MRI reconstruction, yet their robustness under domain shift remains a critical barrier to clinical adoption. In this work, we identify coil sensitivity map (CSM) estimation as the primary bottleneck limiting generalization. To address this, we propose UEPS, a novel DUM architecture featuring three key innovations: (i) an Unrolled Expanded (UE) design that eliminates CSM dependency by reconstructing each coil independently; (ii) progressive resolution, which leverages k-space-to-image mapping for efficient coarse-to-fine refinement; and (iii) sparse attention tailored to MRI's 1D undersampling nature. These physics-grounded designs enable simultaneous gains in robustness and computational efficiency. We construct a large-scale zero-shot transfer benchmark comprising 10 out-of-distribution test sets spanning diverse clinical shifts -- anatomy, view, contrast, vendor, field strength, and coil configurations. Extensive experiments demonstrate that UEPS consistently and substantially outperforms existing DUM, end-to-end, diffusion, and untrained methods across all OOD tests, achieving state-of-the-art robustness with low-latency inference suitable for real-time deployment.

Zhe Li, Yehan Qiu, Yujie Chen et al.

Clinical antimicrobial therapy requires the dynamic integration of pathogen profiles, host factors, pharmacological properties of antimicrobials, and the severity of infection.This complexity imposes fundamental limitations on the applicability of Large Language Models (LLMs) in high-stakes clinical decision-making including knowledge gaps, data privacy concerns, high deployment costs, and limited reasoning capabilities. To address these challenges, we propose KRAL (Knowledge and Reasoning Augmented Learning), a low-cost, scalable, privacy-preserving paradigm that leverages teacher-model reasoning to automatically distill knowledge and reasoning trajectories via answer-to-question reverse generation, employs heuristic learning for semi-supervised data augmentation (reducing manual annotation requirements by approximately 80%), and utilizes agentic reinforcement learning to jointly enhance medical knowledge and reasoning while optimizing computational and memory efficiency. A hierarchical evaluation employing diverse teacher-model proxies reduces assessment costs, while modular interface design facilitates seamless system updates. Experimental results demonstrate that KRAL significantly outperforms traditional Retrieval-Augmented Generation (RAG) and Supervised Fine-Tuning (SFT) methods. It improves knowledge question-answering capability (Accuracy@1 on the external open-source benchmark MEDQA increased by 1.8% vs. SFT and 3.6% vs. RAG) and reasoning capability (Pass@1 on the external benchmark PUMCH Antimicrobial increased by 27% vs. SFT and 27.2% vs. RAG), achieved at ~20% of SFT's long-term training costs. This establishes KRAL as an effective solution for enhancing local LLMs' clinical diagnostic capabilities, enabling low-cost, high-safety deployment in complex medical decision support.

Chengyu Liu, Xiang Zhou

Wasserstein gradient flows (WGFs) describe the evolution of probability distributions in Wasserstein space as steepest descent dynamics for a free energy functional. Computing the full path from an arbitrary initial distribution to equilibrium is challenging, especially in high dimensions. Eulerian methods suffer from the curse of dimensionality, while existing Lagrangian approaches based on particles or generative maps do not naturally improve efficiency through time step tuning. We propose GenWGP, a generative path finding framework for Wasserstein gradient paths. GenWGP learns a generative flow that transports mass from an initial density to an unknown equilibrium distribution by minimizing a path loss that encodes the full trajectory and its terminal equilibrium condition. The loss is derived from a geometric action functional motivated by Dawson Gartner large deviation theory for empirical distributions of interacting diffusion systems. We formulate both a finite horizon action under physical time parametrization and a reparameterization invariant geometric action based on Wasserstein arclength. Using normalizing flows, GenWGP computes a geometric curve toward equilibrium while enforcing approximately constant intrinsic speed between adjacent network layers, so that discretized distributions remain nearly equidistant in the Wasserstein metric along the path. This avoids delicate time stepping constraints and enables stable training that is largely independent of temporal or geometric discretization. Experiments on Fokker Planck and aggregation type problems show that GenWGP matches or exceeds high fidelity reference solutions with only about a dozen discretization points while capturing complex dynamics.

Peter Hase, Thomas Hofweber, Xiang Zhou et al.

The model editing problem concerns how language models should learn new facts about the world over time. While empirical research on model editing has drawn widespread attention, the conceptual foundations of model editing remain shaky -- perhaps unsurprisingly, since model editing is essentially belief revision, a storied problem in philosophy that has eluded succinct solutions for decades. Model editing nonetheless demands a solution, since we need to be able to control the knowledge within language models. With this goal in mind, this paper critiques the standard formulation of the model editing problem and proposes a formal testbed for model editing research. We first describe 12 open problems with model editing, based on challenges with (1) defining the problem, (2) developing benchmarks, and (3) assuming LLMs have editable beliefs in the first place. Many of these challenges are extremely difficult to address, e.g. determining far-reaching consequences of edits, labeling probabilistic entailments between facts, and updating beliefs of agent simulators. Next, we introduce a semi-synthetic dataset for model editing based on Wikidata, where we can evaluate edits against labels given by an idealized Bayesian agent. This enables us to say exactly how belief revision in language models falls short of a desirable epistemic standard. We encourage further research exploring settings where such a gold standard can be compared against. Our code is publicly available at: https://github.com/peterbhase/LLM-belief-revision

Xiang Zhou, Yixin Nie, Mohit Bansal

We introduce distributed NLI, a new NLU task with a goal to predict the distribution of human judgements for natural language inference. We show that by applying additional distribution estimation methods, namely, Monte Carlo (MC) Dropout, Deep Ensemble, Re-Calibration, and Distribution Distillation, models can capture human judgement distribution more effectively than the softmax baseline. We show that MC Dropout is able to achieve decent performance without any distribution annotations while Re-Calibration can give further improvements with extra distribution annotations, suggesting the value of multiple annotations for one example in modeling the distribution of human judgements. Despite these improvements, the best results are still far below the estimated human upper-bound, indicating that predicting the distribution of human judgements is still an open, challenging problem with a large room for improvements. We showcase the common errors for MC Dropout and Re-Calibration. Finally, we give guidelines on the usage of these methods with different levels of data availability and encourage future work on modeling the human opinion distribution for language reasoning. Our code and data are publicly available at https://github.com/easonnie/ChaosNLI

Yixin Nie, Xiang Zhou, Mohit Bansal

Despite the subjective nature of many NLP tasks, most NLU evaluations have focused on using the majority label with presumably high agreement as the ground truth. Less attention has been paid to the distribution of human opinions. We collect ChaosNLI, a dataset with a total of 464,500 annotations to study Collective HumAn OpinionS in oft-used NLI evaluation sets. This dataset is created by collecting 100 annotations per example for 3,113 examples in SNLI and MNLI and 1,532 examples in Abductive-NLI. Analysis reveals that: (1) high human disagreement exists in a noticeable amount of examples in these datasets; (2) the state-of-the-art models lack the ability to recover the distribution over human labels; (3) models achieve near-perfect accuracy on the subset of data with a high level of human agreement, whereas they can barely beat a random guess on the data with low levels of human agreement, which compose most of the common errors made by state-of-the-art models on the evaluation sets. This questions the validity of improving model performance on old metrics for the low-agreement part of evaluation datasets. Hence, we argue for a detailed examination of human agreement in future data collection efforts, and evaluating model outputs against the distribution over collective human opinions. The ChaosNLI dataset and experimental scripts are available at https://github.com/easonnie/ChaosNLI

Xiang Zhou, Mohit Bansal

While deep learning models are making fast progress on the task of Natural Language Inference, recent studies have also shown that these models achieve high accuracy by exploiting several dataset biases, and without deep understanding of the language semantics. Using contradiction-word bias and word-overlapping bias as our two bias examples, this paper explores both data-level and model-level debiasing methods to robustify models against lexical dataset biases. First, we debias the dataset through data augmentation and enhancement, but show that the model bias cannot be fully removed via this method. Next, we also compare two ways of directly debiasing the model without knowing what the dataset biases are in advance. The first approach aims to remove the label bias at the embedding level. The second approach employs a bag-of-words sub-model to capture the features that are likely to exploit the bias and prevents the original model from learning these biased features by forcing orthogonality between these two sub-models. We performed evaluations on new balanced datasets extracted from the original MNLI dataset as well as the NLI stress tests, and show that the orthogonality approach is better at debiasing the model while maintaining competitive overall accuracy. Our code and data are available at: https://github.com/owenzx/LexicalDebias-ACL2020

Xiang Zhou, Yixin Nie, Hao Tan et al.

We find that the performance of state-of-the-art models on Natural Language Inference (NLI) and Reading Comprehension (RC) analysis/stress sets can be highly unstable. This raises three questions: (1) How will the instability affect the reliability of the conclusions drawn based on these analysis sets? (2) Where does this instability come from? (3) How should we handle this instability and what are some potential solutions? For the first question, we conduct a thorough empirical study over analysis sets and find that in addition to the unstable final performance, the instability exists all along the training curve. We also observe lower-than-expected correlations between the analysis validation set and standard validation set, questioning the effectiveness of the current model-selection routine. Next, to answer the second question, we give both theoretical explanations and empirical evidence regarding the source of the instability, demonstrating that the instability mainly comes from high inter-example correlations within analysis sets. Finally, for the third question, we discuss an initial attempt to mitigate the instability and suggest guidelines for future work such as reporting the decomposed variance for more interpretable results and fair comparison across models. Our code is publicly available at: https://github.com/owenzx/InstabilityAnalysis

Yongquan He, Wenyuan Zhang, Xuancheng Huang et al.

Instruction tuning for large language models (LLMs) can drive them to produce results consistent with human goals in specific downstream tasks. However, the process of continual instruction tuning (CIT) for LLMs may bring about the catastrophic forgetting (CF) problem, where previously learned abilities are degraded. Recent methods try to alleviate the CF problem by modifying models or replaying data, which may only remember the surface-level pattern of instructions and get confused on held-out tasks. In this paper, we propose a novel continual instruction tuning method based on Key-part Information Gain (KPIG). Our method computes the information gain on masked parts to dynamically replay data and refine the training objective, which enables LLMs to capture task-aware information relevant to the correct response and alleviate overfitting to general descriptions in instructions. In addition, we propose two metrics, P-score and V-score, to measure the generalization and instruction-following abilities of LLMs. Experiments demonstrate our method achieves superior performance on both seen and held-out tasks.

Ang Li, Qiangchao Chen, Yiquan Wu et al.

Confusing charge prediction is a challenging task in legal AI, which involves predicting confusing charges based on fact descriptions. While existing charge prediction methods have shown impressive performance, they face significant challenges when dealing with confusing charges, such as Snatch and Robbery. In the legal domain, constituent elements play a pivotal role in distinguishing confusing charges. Constituent elements are fundamental behaviors underlying criminal punishment and have subtle distinctions among charges. In this paper, we introduce a novel From Graph to Word Bag (FWGB) approach, which introduces domain knowledge regarding constituent elements to guide the model in making judgments on confusing charges, much like a judge's reasoning process. Specifically, we first construct a legal knowledge graph containing constituent elements to help select keywords for each charge, forming a word bag. Subsequently, to guide the model's attention towards the differentiating information for each charge within the context, we expand the attention mechanism and introduce a new loss function with attention supervision through words in the word bag. We construct the confusing charges dataset from real-world judicial documents. Experiments demonstrate the effectiveness of our method, especially in maintaining exceptional performance in imbalanced label distributions.

Meritxell Riera-Marin, Sikha O K, Julia Rodriguez-Comas et al.

Deep learning (DL) has become the dominant approach for medical image segmentation, yet ensuring the reliability and clinical applicability of these models requires addressing key challenges such as annotation variability, calibration, and uncertainty estimation. This is why we created the Calibration and Uncertainty for multiRater Volume Assessment in multiorgan Segmentation (CURVAS), which highlights the critical role of multiple annotators in establishing a more comprehensive ground truth, emphasizing that segmentation is inherently subjective and that leveraging inter-annotator variability is essential for robust model evaluation. Seven teams participated in the challenge, submitting a variety of DL models evaluated using metrics such as Dice Similarity Coefficient (DSC), Expected Calibration Error (ECE), and Continuous Ranked Probability Score (CRPS). By incorporating consensus and dissensus ground truth, we assess how DL models handle uncertainty and whether their confidence estimates align with true segmentation performance. Our findings reinforce the importance of well-calibrated models, as better calibration is strongly correlated with the quality of the results. Furthermore, we demonstrate that segmentation models trained on diverse datasets and enriched with pre-trained knowledge exhibit greater robustness, particularly in cases deviating from standard anatomical structures. Notably, the best-performing models achieved high DSC and well-calibrated uncertainty estimates. This work underscores the need for multi-annotator ground truth, thorough calibration assessments, and uncertainty-aware evaluations to develop trustworthy and clinically reliable DL-based medical image segmentation models.

Yichen Jiang, Xiang Zhou, Mohit Bansal

Transformers generalize to novel compositions of structures and entities after being trained on a complex dataset, but easily overfit on datasets of insufficient complexity. We observe that when the training set is sufficiently complex, the model encodes sentences that have a common syntactic structure using a systematic attention pattern. Inspired by this observation, we propose SQ-Transformer (Structurally Quantized) that explicitly encourages systematicity in the embeddings and attention layers, even with a training set of low complexity. At the embedding level, we introduce Structure-oriented Vector Quantization (SoVQ) to cluster word embeddings into several classes of structurally equivalent entities. At the attention level, we devise the Systematic Attention Layer (SAL) and an alternative, Systematically Regularized Layer (SRL) that operate on the quantized word embeddings so that sentences of the same structure are encoded with invariant or similar attention patterns. Empirically, we show that SQ-Transformer achieves stronger compositional generalization than the vanilla Transformer on multiple low-complexity semantic parsing and machine translation datasets. In our analysis, we show that SoVQ indeed learns a syntactically clustered embedding space and SAL/SRL induces generalizable attention patterns, which lead to improved systematicity.

Ming Zhong, Xiang Zhou, Ting-Yun Chang et al.

Large Language Models (LLMs) have catalyzed vibe coding, where users leverage LLMs to generate and iteratively refine code through natural language interactions until it passes their vibe check. Vibe check is tied to real-world human preference and goes beyond functionality: the solution should feel right, read cleanly, preserve intent, and remain correct. However, current code evaluation remains anchored to pass@k and captures only functional correctness, overlooking the non-functional instructions that users routinely apply. In this paper, we hypothesize that instruction following is the missing piece underlying vibe check that represents human preference in coding besides functional correctness. To quantify models' code instruction following capabilities with measurable signals, we present VeriCode, a taxonomy of 30 verifiable code instructions together with corresponding deterministic verifiers. We use the taxonomy to augment established evaluation suites, resulting in Vibe Checker, a testbed to assess both code instruction following and functional correctness. Upon evaluating 31 leading LLMs, we show that even the strongest models struggle to comply with multiple instructions and exhibit clear functional regression. Most importantly, a composite score of functional correctness and instruction following correlates the best with human preference, with the latter emerging as the primary differentiator on real-world programming tasks. Our work identifies core factors of the vibe check, providing a concrete path for benchmarking and developing models that better align with user preferences in coding.

Xiangkai Zhang, Xiang Zhou, Mao Chen et al.

Absolute localization, aiming to determine an agent's location with respect to a global reference, is crucial for unmanned aerial vehicles (UAVs) in various applications, but it becomes challenging when global navigation satellite system (GNSS) signals are unavailable. Vision-based absolute localization methods, which locate the current view of the UAV in a reference satellite map to estimate its position, have become popular in GNSS-denied scenarios. However, existing methods mostly rely on traditional and low-level image matching, suffering from difficulties due to significant differences introduced by cross-source discrepancies and temporal variations. To overcome these limitations, in this paper, we introduce a hierarchical cross-source image matching method designed for UAV absolute localization, which integrates a semantic-aware and structure-constrained coarse matching module with a lightweight fine-grained matching module. Specifically, in the coarse matching module, semantic features derived from a vision foundation model first establish region-level correspondences under semantic and structural constraints. Then, the fine-grained matching module is applied to extract fine features and establish pixel-level correspondences. Building upon this, a UAV absolute visual localization pipeline is constructed without any reliance on relative localization techniques, mainly by employing an image retrieval module before the proposed hierarchical image matching modules. Experimental evaluations on public benchmark datasets and a newly introduced CS-UAV dataset demonstrate superior accuracy and robustness of the proposed method under various challenging conditions, confirming its effectiveness.

Nathanael Tepakbong, Ding-Xuan Zhou, Xiang Zhou

We study the classical binary classification problem for hypothesis spaces of Deep Neural Networks (DNNs) with ReLU activation under Tsybakov's low-noise condition with exponent $q>0$, and its limit-case $q\to\infty$ which we refer to as the "hard-margin condition". We show that DNNs which minimize the empirical risk with square loss surrogate and $\ell_p$ penalty can achieve finite-sample excess risk bounds of order $\mathcal{O}\left(n^{-α}\right)$ for arbitrarily large $α>0$ under the hard-margin condition, provided that the regression function $η$ is sufficiently smooth. The proof relies on a novel decomposition of the excess risk which might be of independent interest.

Ruiqi He, Zihan Wang, Xiang Zhou

Cloth-Changing Person Re-identification (CC-ReID) aims to solve the challenge of identifying individuals across different temporal-spatial scenarios, viewpoints, and clothing variations. This field is gaining increasing attention in big data research and public security domains. Existing ReID research primarily relies on face recognition, gait semantic recognition, and clothing-irrelevant feature identification, which perform relatively well in scenarios with high-quality clothing change videos and images. However, these approaches depend on either single features or simple combinations of multiple features, making further performance improvements difficult. Additionally, limitations such as missing facial information, challenges in gait extraction, and inconsistent camera parameters restrict the broader application of CC-ReID. To address the above limitations, we innovatively propose a Tri-Stream Dynamic Weight Network (TSDW) that requires only images. This dynamic weighting network consists of three parallel feature streams: facial features, head-limb features, and global features. Each stream specializes in extracting its designated features, after which a gating network dynamically fuses confidence levels. The three parallel feature streams enhance recognition performance and reduce the impact of any single feature failure, thereby improving model robustness. Extensive experiments on benchmark datasets (e.g., PRCC, Celeb-reID, VC-Clothes) demonstrate that our method significantly outperforms existing state-of-the-art approaches.

Gemini Team, Rohan Anil, Sebastian Borgeaud et al.

This report introduces a new family of multimodal models, Gemini, that exhibit remarkable capabilities across image, audio, video, and text understanding. The Gemini family consists of Ultra, Pro, and Nano sizes, suitable for applications ranging from complex reasoning tasks to on-device memory-constrained use-cases. Evaluation on a broad range of benchmarks shows that our most-capable Gemini Ultra model advances the state of the art in 30 of 32 of these benchmarks - notably being the first model to achieve human-expert performance on the well-studied exam benchmark MMLU, and improving the state of the art in every one of the 20 multimodal benchmarks we examined. We believe that the new capabilities of the Gemini family in cross-modal reasoning and language understanding will enable a wide variety of use cases. We discuss our approach toward post-training and deploying Gemini models responsibly to users through services including Gemini, Gemini Advanced, Google AI Studio, and Cloud Vertex AI.

Wenshuo Chen, Xiang Zhou, Zhengdi Yu et al.

Estimating human pose from video is a task that receives considerable attention due to its applicability in numerous 3D fields. The complexity of prior knowledge of human body movements poses a challenge to neural network models in the task of regressing keypoints. In this paper, we address this problem by incorporating motion prior in an adversarial way. Different from previous methods, we propose to decompose holistic motion prior to joint motion prior, making it easier for neural networks to learn from prior knowledge thereby boosting the performance on the task. We also utilize a novel regularization loss to balance accuracy and smoothness introduced by motion prior. Our method achieves 9\% lower PA-MPJPE and 29\% lower acceleration error than previous methods tested on 3DPW. The estimator proves its robustness by achieving impressive performance on in-the-wild dataset.

Simon J. Ward, Tengfei Cao, Xiang Zhou et al.

Biosensors are an essential tool for medical diagnostics, environmental monitoring and food safety. Typically, biosensors are designed to detect specific analytes through functionalization with the appropriate capture agents. However, the use of capture agents limits the number of analytes that can be simultaneously detected and reduces the robustness of the biosensor. In this work, we report a versatile, capture agent free biosensor platform based on an array of porous silicon (PSi) thin films, which has the potential to robustly detect a wide variety of analytes based on their physical and chemical properties in the nanoscale porous media. The ability of this system to reproducibly classify, quantify, and discriminate three proteins is demonstrated to concentrations down to at least 0.02g/L (between 300nM and 450nM) by utilizing PSi array elements with a unique combination of pore size and buffer pH, employing linear discriminant analysis for dimensionality reduction, and using support vector machines as a classifier. This approach represents a significant step towards a low cost, simple and robust biosensor platform that is able to detect a vast range of biomolecules.

Zhiqiang Cai, Ling Lin, Xiang Zhou

We propose a reinforcement learning (RL) approach to compute the expression of quasi-stationary distribution. Based on the fixed-point formulation of quasi-stationary distribution, we minimize the KL-divergence of two Markovian path distributions induced by the candidate distribution and the true target distribution. To solve this challenging minimization problem by gradient descent, we apply the reinforcement learning technique by introducing the reward and value functions. We derive the corresponding policy gradient theorem and design an actor-critic algorithm to learn the optimal solution and the value function. The numerical examples of finite state Markov chain are tested to demonstrate the new method.

Shuting Gu, Hongqiao Wang, Xiang Zhou

The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate the gradients of the energy function at a very large number of locations. To reduce the number of expensive computations of the true gradients, we propose an active learning framework consisting of a statistical surrogate model, Gaussian process regression (GPR) for the energy function, and a single-walker dynamics method, gentle accent dynamics (GAD), for the saddle-type transition states. SP is detected by the GAD applied to the GPR surrogate for the gradient vector and the Hessian matrix. Our key ingredient for efficiency improvements is an active learning method which sequentially designs the most informative locations and takes evaluations of the original model at these locations to train GPR. We formulate this active learning task as the optimal experimental design problem and propose a very efficient sample-based sub-optimal criterion to construct the optimal locations. We show that the new method significantly decreases the required number of energy or force evaluations of the original model.

Yi Xiong, Ningyuan Chen, Xuefeng Gao et al.

We study the model-based undiscounted reinforcement learning for partially observable Markov decision processes (POMDPs). The oracle we consider is the optimal policy of the POMDP with a known environment in terms of the average reward over an infinite horizon. We propose a learning algorithm for this problem, building on spectral method-of-moments estimations for hidden Markov models, the belief error control in POMDPs and upper-confidence-bound methods for online learning. We establish a regret bound of $O(T^{2/3}\sqrt{\log T})$ for the proposed learning algorithm where $T$ is the learning horizon. This is, to the best of our knowledge, the first algorithm achieving sublinear regret with respect to our oracle for learning general POMDPs.

Siddharth Priya, Xiang Zhou, Yusen Su et al.

A recent case study from AWS by Chong et al. proposes an effective methodology for Bounded Model Checking in industry. In this paper, we report on a follow up case study that explores the methodology from the perspective of three research questions: (a) can proof artifacts be used across verification tools; (b) are there bugs in verified code; and (c) can specifications be improved. To study these questions, we port the verification tasks for $\texttt{aws-c-common}$ library to SEAHORN and KLEE. We show the benefits of using compiler semantics and cross-checking specifications with different verification techniques, and call for standardizing proof library extensions to increase specification reuse. The verification tasks discussed are publicly available online.

Xiang Zhou, Heba Elfardy, Christos Christodoulopoulos et al.

Automatic unreliable news detection is a research problem with great potential impact. Recently, several papers have shown promising results on large-scale news datasets with models that only use the article itself without resorting to any fact-checking mechanism or retrieving any supporting evidence. In this work, we take a closer look at these datasets. While they all provide valuable resources for future research, we observe a number of problems that may lead to results that do not generalize in more realistic settings. Specifically, we show that selection bias during data collection leads to undesired artifacts in the datasets. In addition, while most systems train and predict at the level of individual articles, overlapping article sources in the training and evaluation data can provide a strong confounding factor that models can exploit. In the presence of this confounding factor, the models can achieve good performance by directly memorizing the site-label mapping instead of modeling the real task of unreliable news detection. We observed a significant drop (>10%) in accuracy for all models tested in a clean split with no train/test source overlap. Using the observations and experimental results, we provide practical suggestions on how to create more reliable datasets for the unreliable news detection task. We suggest future dataset creation include a simple model as a difficulty/bias probe and future model development use a clean non-overlapping site and date split.