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Oct 21

EdgeKernelBench: Unified LLM-Driven Kernel Generation for Edge Backends

Recent works show that LLMs can generate kernels with strong performance on server GPUs. Edge deployment presents distinct challenges because the hardware is heterogeneous, the software stacks are fragmented, and the resource budgets are tight. LLM kernel generation across diverse edge backends has yet to be studied systematically. We introduce EdgeKernelBench, which combines a unified IR deployment framework with a hierarchical benchmark for edge workloads. The unified IR captures reusable computation, scheduling, and memory decisions and connects to each target backend through a compiler interface. The benchmark spans progressively larger program scopes, from individual operators to compact model graphs, across representative edge application domains. We instantiate the design with TVM as a reference compiler and validate it across heterogeneous edge backends. With a single generation attempt, the best model achieves 64.5% Correct@1 but only 25.5% Fast@1.0. This gap shows that functional correctness does not consistently translate into performance gains. We therefore introduce the Layered Edge Kernel Agent (LEKA), which organizes optimization through a layered IR. On the agent evaluation subset, LEKA achieves 43.5% Fast@1.0, compared with 13.0% for direct generation and 26.1% for Claude Code. LEKA and Claude Code use the same base model and optimization budget. Together, EdgeKernelBench and LEKA support unified evaluation and layered optimization of kernels generated by LLMs across edge backends.

A Verifiable Search Is Not a Learnable Chain-of-Thought

It is tempting to assume any task solvable by a short program can be taught to a model as its chain-of-thought: write the steps out, fine-tune, and the model follows. This paper shows the assumption fails for an identifiable class of procedures. The testbed is nine reasoning tasks, each from a deterministic generator; public and hidden splits share generators, so held-out data proxies test accuracy. I reverse-engineer the generators into Python solvers, render them as chain-of-thought, and distill into a rank-<= 32 LoRA over a 30B (3.5B-active) Nemotron model. Forward-computable tasks install readily: lookup/arithmetic and an 8-bit boolean task transfer (>= 0.99 and 0.68). Cryptarithm does not: distilling its backtracking search holds at 0.01-0.07 across eleven chain-of-thought designs, RL from verifiable rewards, and self-training, even though a search solver answers 71% of instances. This is not a capability gap. The model does the arithmetic on 97-100% of lines and ranks the correct cipher in its top eight on 71%; it cannot carry the search forward as a left-to-right derivation. Fine-tuning learns the shape of a verifiable elimination step while its verdicts become unconditional templates, correct only 16-57% of the time ("verdict-as-token"). The ceiling holds across backbones from 3B to 671B and across fine-tuning and prompting; a controlled intervention isolates the cause: revealing the cipher key, which turns the derivation forward, lifts the same instances from 0.03 to 0.57. When a procedure's only solution is search over information-free structure, no faithful forward chain-of-thought exists to imitate. The task becomes learnable only by removing the search, precomputing its combinatorial core into a catalog and reducing the trace to recall plus verification; the 1st-place solution reaches Private LB 0.92 this way. What distills is memorization and verification, not search.

  • 1 authors
·
Jun 19 1

Measuring the Checker: Mutation Analysis for GPU-Kernel Benchmark Oracles

Benchmarks for LLM-generated GPU kernels decide correctness with a few random inputs and a loose floating-point tolerance, and their verdicts now feed leaderboards and reinforcement-learning rewards. Recent work agrees these checkers are weak and patches them by hand---extra input distributions, fuzzing recipes, tighter tolerances---with no way to measure whether any patch suffices. We introduce mutation analysis as an adequacy metric for kernel-benchmark oracles: deterministic rules inject 10{,}303 compilable faults into verified CUDA implementations of 188 KernelBench problems, 7{,}384 of them with an independent kill witness; any test protocol is scored by the fraction it detects. The official check misses one in six witnessed faults (16.9%), deterministically, and the misses are skewed by family: 8.7% of arithmetic faults escape, but 78.6% of precision faults do. The metric explains why (a tolerance blind band growing with reduction size; a measured ceiling on input aggressiveness set by legitimate floating-point variance), audits the strongest existing patch (KernelBench-Verified's gain splits into +4.0 points from hidden inputs and +4.5 from tighter tolerance, a split its authors could not compute), and exposes a published fuzzing recipe that rejects correct kernels 107 times. Optimizing suites over the kill matrix reaches 98.0% detection with two inputs per problem (94.8% held-out), and the measurement's fault taxonomy teaches a test generator more than the raw faults themselves. Across 48 whole architectures, the blindness grows with scale, concentrating in deep homogeneous pipelines, and two problems prove unrefereeable: their official references violate the benchmark's own tolerance against fp64. We release everything as https://huggingface.co/datasets/Elfsong/KernelBench-M{KernelBench-M}.

Binding Drift in Multi-Step Tool-Augmented Agents

Tool-augmented language-model agents execute multi-step workflows over external systems, resolving an entity once and then acting on it across subsequent steps. Prior work shows that in single-step actions, agents select the correct tool but bind it to the wrong entity 24-26% of the time. We study what happens to entity bindings over time: do they stay correct, silently drift to a different entity, or, if wrong from the start, propagate and compound? We formalize binding drift (correct at step 1, wrong later) as distinct from error propagation (wrong at step 1, carried forward), and score them on disjoint workflow sets so the two cannot be conflated. In a controlled multi-step testbed (200 workflows, 580 entity-binding-scored steps, four enterprise domains, eight model backends spanning small to frontier), we find: (1) under controlled error injection, an entity lock (the intuitive "persist the first binding" fix) amplifies wrong actions from 907 to 2,746 (3.0x; bootstrap 95% CI [2.8, 3.3]), because it faithfully carries the seeded wrong entity into every later step; (2) the amplification reaches 8.5x on the most affected model (Claude Opus 4.5); (3) a practical LLM-based re-verifier (a single cheap second model call re-reading the original instruction) reduces wrong actions by 79% (0.21x; CI [0.18, 0.25]), closing the gap to within 1 percentage point of an oracle upper-bound (0.20x); and (4) in the natural (non-injected) setting, baseline agents drift on 18% of eligible workflows, with the per-step error rate rising across steps. Persistence and re-verification are not interchangeable: a defense that eliminates drift can worsen propagation, and a practical re-verifier nearly matches oracle recovery.

  • 2 authors
·
Jul 16

Where LLM Agents Fail and How They can Learn From Failures

Large Language Model (LLM) agents, which integrate planning, memory, reflection, and tool-use modules, have shown promise in solving complex, multi-step tasks. Yet their sophisticated architectures amplify vulnerability to cascading failures, where a single root-cause error propagates through subsequent decisions, leading to task failure. Current systems lack a framework that can comprehensively understand agent error in a modular and systemic way, and therefore fail to detect these errors accordingly. We address this gap with three contributions. First, we introduce the AgentErrorTaxonomy, a modular classification of failure modes spanning memory, reflection, planning, action, and system-level operations. Second, we construct AgentErrorBench, the first dataset of systematically annotated failure trajectories from ALFWorld, GAIA, and WebShop, grounding error analysis in real-world agent rollouts. Third, we propose AgentDebug, a debugging framework that isolates root-cause failures and provides corrective feedback, enabling agents to recover and iteratively improve. Experiments on AgentErrorBench show that AgentDebug achieves 24% higher all-correct accuracy and 17% higher step accuracy compared to the strongest baseline. Beyond detection, the targeted feedback generated by AgentDebug enables LLM agents to iteratively recover from failures, yielding up to 26% relative improvements in task success across ALFWorld, GAIA, and WebShop. These results establish principled debugging as a pathway to more reliable and adaptive LLM agents. The code and data will be available at https://github.com/ulab-uiuc/AgentDebug

AutoMegaKernel: A Statically-Checked Agent Harness for Self-Retargeting Megakernel Synthesis

AutoMegaKernel (AMK) compiles a HuggingFace Llama-family model into a single persistent cooperative CUDA kernel that runs the whole forward pass in one launch, with no per-model hand-written CUDA. The contribution is the system, not raw speed. A frozen schedule-IR validator statically certifies deadlock-freedom and race-freedom via static graph checks (not a mechanized proof), so an unsafe agent-proposed schedule is rejected before launch: across 7,160 adversarial schedules (6,091 unsafe) it had zero false-accepts and accepted all 360 real lowerings. The same source retargets sm_80/sm_90/sm_120 from one codebase, auto-generates correct megakernels for 10 of 10 supported models, and on a real SmolLM2-135M checkpoint reproduces HuggingFace greedy decode token-for-token (perplexity match 2.5e-7). An unattended, agent-drivable autoresearch loop self-improves the megakernel over its own baseline (1.25-1.72x). A search-found int8 (W8A16) megakernel beats CUDA-graphed cuBLAS bf16 at batch-1 decode across NVIDIA's datacenter inference fleet: L4 up to 1.33x, the current-gen L40S 1.25-1.27x, A10G up to 1.08x at scale, and the consumer RTX 5090 1.19-1.23x. The ordering is not a clean function of bandwidth (the 864 GB/s L40S beats the 600 GB/s A10G); the divide is inference-class vs training-class. AMK trails cuBLAS on the high-bandwidth training-class A100/H100, where the harness localizes the cross-SM-sync bottleneck; we report the gap plainly. This is a precision-asymmetric (W8A16 vs bf16) comparison at decode position 0; the largest real checkpoint is TinyLlama-1.1B. Code and the harness: https://github.com/RightNow-AI/AutoMegaKernel

  • 2 authors
·
Jun 7

Seeing Like an AI: How LLMs Apply (and Misapply) Wikipedia Neutrality Norms

Large language models (LLMs) are trained on broad corpora and then used in communities with specialized norms. Is providing LLMs with community rules enough for models to follow these norms? We evaluate LLMs' capacity to detect (Task 1) and correct (Task 2) biased Wikipedia edits according to Wikipedia's Neutral Point of View (NPOV) policy. LLMs struggled with bias detection, achieving only 64% accuracy on a balanced dataset. Models exhibited contrasting biases (some under- and others over-predicted bias), suggesting distinct priors about neutrality. LLMs performed better at generation, removing 79% of words removed by Wikipedia editors. However, LLMs made additional changes beyond Wikipedia editors' simpler neutralizations, resulting in high-recall but low-precision editing. Interestingly, crowdworkers rated AI rewrites as more neutral (70%) and fluent (61%) than Wikipedia-editor rewrites. Qualitative analysis found LLMs sometimes applied NPOV more comprehensively than Wikipedia editors but often made extraneous non-NPOV-related changes (such as grammar). LLMs may apply rules in ways that resonate with the public but diverge from community experts. While potentially effective for generation, LLMs may reduce editor agency and increase moderation workload (e.g., verifying additions). Even when rules are easy to articulate, having LLMs apply them like community members may still be difficult.

  • 6 authors
·
May 6

Cross-modal linkage risk in clinical vision-language models

Vision-language models (VLMs) trained on paired chest radiographs and radiology reports learn a shared embedding space that can preserve instance-level image-report correspondence. This poses a privacy risk in settings where radiographs and reports are deliberately kept separate after acquisition, such as image-only data sharing or access-controlled reports, because a de-identified image may be re-linked to its original narrative report through cosine similarity alone. We formalized this as image-to-report retrieval and used public paired cohorts, in which the true pairing is known by design, as ground-truth benchmarks to audit the risk rather than as the privacy scenario. Evaluating VLMs of increasing clinical specialization on 406,241 paired examples from 126,804 patients across MIMIC-CXR (43,793 held-out pairs) and external CheXpert Plus (29,296 pairs), we found that re-linkage rose systematically with specialization: the strongest VLM retrieved the correct report at 15 times chance at a candidate pool of N = 100, 50 times chance at N = 10,000, and well above chance at full-database scale. The signal persisted under pathology-matched hard negatives that removed disease-label shortcuts, indicating correspondence beyond broad diagnostic categories. To reduce it without retraining, we froze both encoders and applied differentially private optimization only to the projection heads defining the alignment layer (epsilon = 0.34, delta = 6x10-6). This reduced Recall@1 by 61.8% at N = 10,000 on MIMIC-CXR and transferred to CheXpert Plus without retraining, while image-side utility was largely preserved: macro AUROC for linear-probe classification across 14 labels shifted only from 79.63% to 79.43%. Targeted DP finetuning of the shared alignment layer can substantially reduce cross-modal re-linkage without materially degrading the image representations that make these models clinically useful.

  • 4 authors
·
May 31

Susu Box or Piggy Bank: Assessing Cultural Commonsense Knowledge between Ghana and the U.S

Recent work has highlighted the culturally-contingent nature of commonsense knowledge. We introduce AMAMMER{epsilon}, a test set of 525 multiple-choice questions designed to evaluate the commonsense knowledge of English LLMs, relative to the cultural contexts of Ghana and the United States. To create AMAMMER{epsilon}, we select a set of multiple-choice questions (MCQs) from existing commonsense datasets and rewrite them in a multi-stage process involving surveys of Ghanaian and U.S. participants. In three rounds of surveys, participants from both pools are solicited to (1) write correct and incorrect answer choices, (2) rate individual answer choices on a 5-point Likert scale, and (3) select the best answer choice from the newly-constructed MCQ items, in a final validation step. By engaging participants at multiple stages, our procedure ensures that participant perspectives are incorporated both in the creation and validation of test items, resulting in high levels of agreement within each pool. We evaluate several off-the-shelf English LLMs on AMAMMER{epsilon}. Uniformly, models prefer answers choices that align with the preferences of U.S. annotators over Ghanaian annotators. Additionally, when test items specify a cultural context (Ghana or the U.S.), models exhibit some ability to adapt, but performance is consistently better in U.S. contexts than Ghanaian. As large resources are devoted to the advancement of English LLMs, our findings underscore the need for culturally adaptable models and evaluations to meet the needs of diverse English-speaking populations around the world.

  • 3 authors
·
Oct 21, 2024

EmbedAgent: Benchmarking Large Language Models in Embedded System Development

Large Language Models (LLMs) have shown promise in various tasks, yet few benchmarks assess their capabilities in embedded system development.In this paper, we introduce EmbedAgent, a paradigm designed to simulate real-world roles in embedded system development, such as Embedded System Programmer, Architect, and Integrator. This paradigm enables LLMs to be tested in tasks that bridge the gap between digital and physical systems, allowing for a more comprehensive assessment of their capabilities. To evaluate LLMs on these tasks, we propose Embedbench, the first comprehensive benchmark for embedded system programming, circuit design, and cross-platform migration.Embedbench consists of 126 cases, covering 9 electronic components across 3 hardware platforms. Through extensive experiments on 10 mainstream LLMs, we uncover several key findings. Surprisingly, despite the simplicity of the cases, DeepSeek-R1 achieves only a 55.6% pass@1 rate when provided with schematic information, and 50.0% when tasked with generating the schematics itself. In the cross-platform migration tasks, LLMs show relatively strong performance with MicroPython on the Raspberry Pi Pico (with the top model achieving 73.8% pass@1), but perform poorly on ESP-IDF, where the best model reaches only 29.4% pass@1.Interestingly, we observe that general-purpose chat LLMs like DeepSeek-V3 often fail to utilize relevant pre-trained knowledge in this domain, while reasoning LLMs tend to overthink and overlook efficient knowledge during pretraining. Based on these insights, we propose two strategies: retrieval augmented generation and compiler feedback-to enhance LLM performance. These strategies result in significant improvements, with Deepseek-R1 reaching a 65.1% pass@1 with correct schematics, and 53.1% without. Additionally, the accuracy of the Arduino to ESP32 migration task improves from 21.4% to 27.8%.

  • 9 authors
·
Apr 19, 2025

GPT as Knowledge Worker: A Zero-Shot Evaluation of (AI)CPA Capabilities

The global economy is increasingly dependent on knowledge workers to meet the needs of public and private organizations. While there is no single definition of knowledge work, organizations and industry groups still attempt to measure individuals' capability to engage in it. The most comprehensive assessment of capability readiness for professional knowledge workers is the Uniform CPA Examination developed by the American Institute of Certified Public Accountants (AICPA). In this paper, we experimentally evaluate OpenAI's `text-davinci-003` and prior versions of GPT on both a sample Regulation (REG) exam and an assessment of over 200 multiple-choice questions based on the AICPA Blueprints for legal, financial, accounting, technology, and ethical tasks. First, we find that `text-davinci-003` achieves a correct rate of 14.4% on a sample REG exam section, significantly underperforming human capabilities on quantitative reasoning in zero-shot prompts. Second, `text-davinci-003` appears to be approaching human-level performance on the Remembering & Understanding and Application skill levels in the Exam absent calculation. For best prompt and parameters, the model answers 57.6% of questions correctly, significantly better than the 25% guessing rate, and its top two answers are correct 82.1% of the time, indicating strong non-entailment. Finally, we find that recent generations of GPT-3 demonstrate material improvements on this assessment, rising from 30% for `text-davinci-001` to 57% for `text-davinci-003`. These findings strongly suggest that large language models have the potential to transform the quality and efficiency of future knowledge work.

  • 4 authors
·
Jan 11, 2023

FPUS23: An Ultrasound Fetus Phantom Dataset with Deep Neural Network Evaluations for Fetus Orientations, Fetal Planes, and Anatomical Features

Ultrasound imaging is one of the most prominent technologies to evaluate the growth, progression, and overall health of a fetus during its gestation. However, the interpretation of the data obtained from such studies is best left to expert physicians and technicians who are trained and well-versed in analyzing such images. To improve the clinical workflow and potentially develop an at-home ultrasound-based fetal monitoring platform, we present a novel fetus phantom ultrasound dataset, FPUS23, which can be used to identify (1) the correct diagnostic planes for estimating fetal biometric values, (2) fetus orientation, (3) their anatomical features, and (4) bounding boxes of the fetus phantom anatomies at 23 weeks gestation. The entire dataset is composed of 15,728 images, which are used to train four different Deep Neural Network models, built upon a ResNet34 backbone, for detecting aforementioned fetus features and use-cases. We have also evaluated the models trained using our FPUS23 dataset, to show that the information learned by these models can be used to substantially increase the accuracy on real-world ultrasound fetus datasets. We make the FPUS23 dataset and the pre-trained models publicly accessible at https://github.com/bharathprabakaran/FPUS23, which will further facilitate future research on fetal ultrasound imaging and analysis.

  • 4 authors
·
Mar 14, 2023

A Multimodal PDE Foundation Model for Prediction and Scientific Text Descriptions

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to train approximations to multiple differential equations simultaneously and are thus a general purpose solver that can be adapted to downstream tasks. Current PDE foundation models focus on either learning general solution operators and/or the governing system of equations, and thus only handle numerical or symbolic modalities. However, real-world applications may require more flexible data modalities, e.g. text analysis or descriptive outputs. To address this gap, we propose a novel multimodal deep learning approach that leverages a transformer-based architecture to approximate solution operators for a wide variety of ODEs and PDEs. Our method integrates numerical inputs, such as equation parameters and initial conditions, with text descriptions of physical processes or system dynamics. This enables our model to handle settings where symbolic representations may be incomplete or unavailable. In addition to providing accurate numerical predictions, our approach generates interpretable scientific text descriptions, offering deeper insights into the underlying dynamics and solution properties. The numerical experiments show that our model provides accurate solutions for in-distribution data (with average relative error less than 3.3%) and out-of-distribution data (average relative error less than 7.8%) together with precise text descriptions (with correct descriptions generated 100% of times). In certain tests, the model is also shown to be capable of extrapolating solutions in time.

  • 5 authors
·
Feb 8, 2025

AnswerMap: Faithful Spatial Interpretability of VLMs from Answer Posteriors

When a VLM answers a visual query, current interpretability tools rely on text rationales, which use a mismatched modality, or on internal read-outs, which originate too early to reflect the final output and require white-box access to the model. We introduce AnswerMap, a training-free, task-agnostic, black-box visual rationale constructed from the output head. The image is cut into K row and K column bands, each shown alone to the frozen model along with the query in the format of a yes/no relevance question. The outer product of the row and column ``yes'' posteriors gives the query-conditioned spatial map. Crucially, by defining a fixed read-out R (e.g., expectation, maximum) on top of AnswerMap, we can derive continuous outputs like location natively. This bypasses the reliance on discrete text tokens for continuous-output tasks and guarantees an image-dependent answer by construction. However, a rationale can be confabulated, so we validate AnswerMap across four models and three query distributions with two tests: (a) agreement with the model's own generated point and (b) deletion of the map's region. The map lands where the model points (AUC 0.85 against 0.38 for attention), and deleting its region flips 53% of correct answers (against 19% for attention's). Beyond establishing faithfulness, we demonstrate the map's task-agnostic utility through three distinct read-outs: its maximum flags hallucinated objects without generation, its expectation localizes correctly when the model's own pointing fails, and its top-mass region, fed back as a crop, fixes half of the model's wrong answers. AnswerMap thus offers a new lens on VLM interpretability and, through its read-outs, a new output interface for visual tasks beyond text tokens.

  • 9 authors
·
Sep 27 2

Can LLMs Correct Themselves? A Benchmark of Self-Correction in LLMs

Self-correction of large language models (LLMs) emerges as a critical component for enhancing their reasoning performance. Although various self-correction methods have been proposed, a comprehensive evaluation of these methods remains largely unexplored, and the question of whether LLMs can truly correct themselves is a matter of significant interest and concern. In this study, we introduce CorrectBench, a benchmark developed to evaluate the effectiveness of self-correction strategies, including intrinsic, external, and fine-tuned approaches, across three tasks: commonsense reasoning, mathematical reasoning, and code generation. Our findings reveal that: 1) Self-correction methods can improve accuracy, especially for complex reasoning tasks; 2) Mixing different self-correction strategies yields further improvements, though it reduces efficiency; 3) Reasoning LLMs (e.g., DeepSeek-R1) have limited optimization under additional self-correction methods and have high time costs. Interestingly, a comparatively simple chain-of-thought (CoT) baseline demonstrates competitive accuracy and efficiency. These results underscore the potential of self-correction to enhance LLM's reasoning performance while highlighting the ongoing challenge of improving their efficiency. Consequently, we advocate for further research focused on optimizing the balance between reasoning capabilities and operational efficiency. Project Page: https://correctbench.github.io/

  • 14 authors
·
Oct 16, 2025 2

Training Language Models to Self-Correct via Reinforcement Learning

Self-correction is a highly desirable capability of large language models (LLMs), yet it has consistently been found to be largely ineffective in modern LLMs. Existing approaches for training self-correction either require multiple models or rely on a more capable model or other forms of supervision. To this end, we develop a multi-turn online reinforcement learning (RL) approach, SCoRe, that significantly improves an LLM's self-correction ability using entirely self-generated data. To build SCoRe, we first show that variants of supervised fine-tuning (SFT) on offline model-generated correction traces are insufficient for instilling self-correction behavior. In particular, we observe that training via SFT either suffers from a distribution mismatch between the training data and the model's own responses or implicitly prefers only a certain mode of correction behavior that is often not effective at test time. SCoRe addresses these challenges by training under the model's own distribution of self-generated correction traces and using appropriate regularization to steer the learning process into learning a self-correction strategy that is effective at test time as opposed to simply fitting high-reward responses for a given prompt. This regularization prescribes running a first phase of RL on a base model to generate a policy initialization that is less susceptible to collapse and then using a reward bonus to amplify self-correction during training. When applied to Gemini 1.0 Pro and 1.5 Flash models, we find that SCoRe achieves state-of-the-art self-correction performance, improving the base models' self-correction by 15.6% and 9.1% respectively on the MATH and HumanEval benchmarks.

  • 18 authors
·
Sep 19, 2024 9

The 17% Gap: Quantifying Epistemic Decay in AI-Assisted Survey Papers

The adoption of Large Language Models (LLMs) in scientific writing promises efficiency but risks introducing informational entropy. While "hallucinated papers" are a known artifact, the systematic degradation of valid citation chains remains unquantified. We conducted a forensic audit of 50 recent survey papers in Artificial Intelligence (N=5,514 citations) published between September 2024 and January 2026. We utilized a hybrid verification pipeline combining DOI resolution, Crossref metadata analysis, Semantic Scholar queries, and fuzzy text matching to distinguish between formatting errors ("Sloppiness") and verifiable non-existence ("Phantoms). We detect a persistent 17.0% Phantom Rate -- citations that cannot be resolved to any digital object despite aggressive forensic recovery. Diagnostic categorization reveals three distinct failure modes: pure hallucinations (5.1%), hallucinated identifiers with valid titles (16.4%), and parsing-induced matching failures (78.5%). Longitudinal analysis reveals a flat trend (+0.07 pp/month), suggesting that high-entropy citation practices have stabilized as an endemic feature of the field. The scientific citation graph in AI survey literature exhibits "link rot" at scale. This suggests a mechanism where AI tools act as "lazy research assistants," retrieving correct titles but hallucinating metadata, thereby severing the digital chain of custody required for reproducible science.

  • 1 authors
·
Jan 23

LOCO Codes Can Correct as Well: Error-Correction Constrained Coding for DNA Data Storage

As a medium for cold data storage, DNA stands out as it promises significant gains in storage capacity and lifetime. However, it comes with its own data processing challenges to overcome. Constrained codes over the DNA alphabet {A,T,G,C} have been used to design DNA sequences that are free of long homopolymers to increase stability, yet effective error detection and error correction are required to achieve reliability in data retrieval. Recently, we introduced lexicographically-ordered constrained (LOCO) codes, namely DNA LOCO (D-LOCO) codes, with error detection. In this paper, we equip our D-LOCO codes with error correction for substitution errors via syndrome-like decoding, designated as residue decoding. We only use D-LOCO codewords of indices divisible by a suitable redundancy metric R(m) > 0, where m is the code length, for error correction. We provide the community with a construction of constrained codes forbidding runs of length higher than fixed ell in {1,2,3} and GC-content in big [0.5-1{2K},0.5+1{2K}big ] that correct K segmented substitution errors, one per codeword. We call the proposed codes error-correction (EC) D-LOCO codes. We also give a list-decoding procedure with near-quadratic time-complexity in m to correct double-substitution errors within EC D-LOCO codewords, which has > 98.20% average success rate. The redundancy metric is projected to require 2log_2(m)+O(1)-bit allocation for a length-m codeword. Hence, our EC D-LOCO codes are projected to be capacity-approaching with respect to the error-free constrained system.

  • 2 authors
·
Apr 1, 2025

Red Teaming Program Repair Agents: When Correct Patches can Hide Vulnerabilities

LLM-based agents are increasingly deployed for software maintenance tasks such as automated program repair (APR). APR agents automatically fetch GitHub issues and use backend LLMs to generate patches that fix the reported bugs. However, existing work primarily focuses on the functional correctness of APR-generated patches, whether they pass hidden or regression tests, while largely ignoring potential security risks. Given the openness of platforms like GitHub, where any user can raise issues and participate in discussions, an important question arises: Can an adversarial user submit a valid issue on GitHub that misleads an LLM-based agent into generating a functionally correct but vulnerable patch? To answer this question, we propose SWExploit, which generates adversarial issue statements designed to make APR agents produce patches that are functionally correct yet vulnerable. SWExploit operates in three main steps: (1) program analysis to identify potential injection points for vulnerable payloads; (2) adversarial issue generation to provide misleading reproduction and error information while preserving the original issue semantics; and (3) iterative refinement of the adversarial issue statements based on the outputs of the APR agents. Empirical evaluation on three agent pipelines and five backend LLMs shows that SWExploit can produce patches that are both functionally correct and vulnerable (the attack success rate on the correct patch could reach 0.91, whereas the baseline ASRs are all below 0.20). Based on our evaluation, we are the first to challenge the traditional assumption that a patch passing all tests is inherently reliable and secure, highlighting critical limitations in the current evaluation paradigm for APR agents.

  • 4 authors
·
Sep 29, 2025

CORRECT: COndensed eRror RECognition via knowledge Transfer in multi-agent systems

Multi-agent systems (MAS) are increasingly capable of tackling complex real-world tasks, yet their reliance on inter-agent coordination, tool use, and long-horizon reasoning makes error recognition particularly challenging. Minor errors can propagate across agents, escalating into task failures while producing long, intertwined execution trajectories that impose significant costs for both human developers and automated systems to debug and analyze. Our key insight is that, despite surface differences in failure trajectories (e.g., logs), MAS errors often recur with similar structural patterns. This paper presents CORRECT, the first lightweight, training-free framework that leverages an online cache of distilled error schemata to recognize and transfer knowledge of failure structures across new requests. This cache-based reuse allows LLMs to perform targeted error localization at inference time, avoiding the need for expensive retraining while adapting to dynamic MAS deployments in subseconds. To support rigorous study in this domain, we also introduce CORRECT-Error, a large-scale dataset of over 2,000 annotated trajectories collected through a novel error-injection pipeline guided by real-world distributions, and further validated through human evaluation to ensure alignment with natural failure patterns. Experiments across seven diverse MAS applications show that CORRECT improves step-level error localization up to 19.8% over existing advances while at near-zero overhead, substantially narrowing the gap between automated and human-level error recognition.

  • 7 authors
·
Sep 28, 2025 2

$V_1$: Unifying Generation and Self-Verification for Parallel Reasoners

Test-time scaling for complex reasoning tasks shows that leveraging inference-time compute, by methods such as independently sampling and aggregating multiple solutions, results in significantly better task outcomes. However, a critical bottleneck is verification: sampling is only effective if correct solutions can be reliably identified among candidates. While existing approaches typically evaluate candidates independently via scalar scoring, we demonstrate that models are substantially stronger at pairwise self-verification. Leveraging this insight, we introduce V_1, a framework that unifies generation and verification through efficient pairwise ranking. V_1 comprises two components: V_1-Infer, an uncertainty-guided algorithm using a tournament-based ranking that dynamically allocates self-verification compute to candidate pairs whose relative correctness is most uncertain; and V_1-PairRL, an RL framework that jointly trains a single model as both generator and pairwise self-verifier, ensuring the verifier adapts to the generator's evolving distribution. On code generation (LiveCodeBench, CodeContests, SWE-Bench) and math reasoning (AIME, HMMT) benchmarks, V_1-Infer improves Pass@1 by up to 10% over pointwise verification and outperforms recent test-time scaling methods while being significantly more efficient. Furthermore, V_1-PairRL achieves 7--9% test-time scaling gains over standard RL and pointwise joint training, and improves base Pass@1 by up to 8.7% over standard RL in a code-generation setting.

Berkeley UC Berkeley
·
Mar 4 3

Lessons Learned from the 1st ARIEL Machine Learning Challenge: Correcting Transiting Exoplanet Light Curves for Stellar Spots

The last decade has witnessed a rapid growth of the field of exoplanet discovery and characterisation. However, several big challenges remain, many of which could be addressed using machine learning methodology. For instance, the most prolific method for detecting exoplanets and inferring several of their characteristics, transit photometry, is very sensitive to the presence of stellar spots. The current practice in the literature is to identify the effects of spots visually and correct for them manually or discard the affected data. This paper explores a first step towards fully automating the efficient and precise derivation of transit depths from transit light curves in the presence of stellar spots. The methods and results we present were obtained in the context of the 1st Machine Learning Challenge organized for the European Space Agency's upcoming Ariel mission. We first present the problem, the simulated Ariel-like data and outline the Challenge while identifying best practices for organizing similar challenges in the future. Finally, we present the solutions obtained by the top-5 winning teams, provide their code and discuss their implications. Successful solutions either construct highly non-linear (w.r.t. the raw data) models with minimal preprocessing -deep neural networks and ensemble methods- or amount to obtaining meaningful statistics from the light curves, constructing linear models on which yields comparably good predictive performance.

  • 23 authors
·
Oct 29, 2020

Detecting Stereotypes and Anti-stereotypes the Correct Way Using Social Psychological Underpinnings

Stereotypes are known to be highly pernicious, making their detection critically important. However, current research predominantly focuses on detecting and evaluating stereotypical biases in LLMs, leaving the study of stereotypes in its early stages. Many studies have failed to clearly distinguish between stereotypes and stereotypical biases, which has significantly slowed progress in advancing research in this area. Stereotype and anti-stereotype detection is a problem that requires knowledge of society; hence, it is one of the most difficult areas in Responsible AI. This work investigates this task, where we propose a four-tuple definition and provide precise terminology distinguishing stereotype, anti-stereotype, stereotypical bias, and bias, offering valuable insights into their various aspects. In this paper, we propose StereoDetect, a high-quality benchmarking dataset curated for this task by optimally utilizing current datasets such as StereoSet and WinoQueer, involving a manual verification process and the transfer of semantic information. We demonstrate that language models for reasoning with fewer than 10B parameters often get confused when detecting anti-stereotypes. We also demonstrate the critical importance of well-curated datasets by comparing our model with other current models for stereotype detection. The dataset and code is available at https://github.com/KaustubhShejole/StereoDetect.

  • 2 authors
·
Apr 4, 2025

On the Higgs spectra of the 3-3-1 model with the sextet of scalars engendering the type II seesaw mechanism

In the 3-3-1 model with right-handed neutrinos, three triplets of scalars engender the correct sequence of symmetry breaking, SU(3)_C times SU(3)_L times U(1)_X rightarrow SU(3)_C times SU(2)_L times U(1)_Y rightarrow SU(3)_C times U(1)_{EM}, generating mass for all fermions, except neutrinos. Tiny neutrino masses may be achieved by adding one sextet of scalars to the original scalar content. As consequence, it emerges a very complex scalar sector, involving terms that violate lepton number explicitly, too. The main obstacle to the development of the phenomenology of such scenario is the knowledge of its spectrum of scalars since, now, there are 15 massive scalar particles on it. The proposal of this work is to do an exhaustive analysis of such scalar sector with lepton number being explicitly violated at low, electroweak and high energy scales by means of trilinear terms in the potential. The first case can be addressed analytically and, as a nice result, we have observed that the scalar content of such case is split into two categories: One belonging to the 331 energy scale and the other belonging to the EWSB energy scale, with the last recovering the well known THDM+triplet. For the other cases, the scalar sector can be addressed only numerically. Hence, we proposed a very general approach for the numerical study of the potential, avoiding simplifications that can make us reach conclusions without foundation. We show that, in the case of lepton number being explicitly violated at electroweak scale, it is possible to recover the same physics of the THDM+triplet, as the previous case. Among all the possibilities, we call the attention to one special case which generates the 3HDM+triplet scenario. For the last case, when lepton number is violated at high energy scale, the sextet become very massive and decouples from the original scalar content of the 3-3-1 model.

  • 2 authors
·
Dec 20, 2022

Beyond Pass@1: Self-Play with Variational Problem Synthesis Sustains RLVR

Reinforcement Learning with Verifiable Rewards (RLVR) has recently emerged as a key paradigm for post-training Large Language Models (LLMs), particularly for complex reasoning tasks. However, vanilla RLVR training has been shown to improve Pass@1 performance at the expense of policy entropy, leading to reduced generation diversity and limiting the Pass@k performance, which typically represents the upper bound of LLM reasoning capability. In this paper, we systematically analyze the policy's generation diversity from the perspective of training problems and find that augmenting and updating training problems helps mitigate entropy collapse during training. Based on these observations, we propose an online Self-play with Variational problem Synthesis (SvS) strategy for RLVR training, which uses the policy's correct solutions to synthesize variational problems while ensuring their reference answers remain identical to the originals. This self-improving strategy effectively maintains policy entropy during training and substantially improves Pass@k compared with standard RLVR, sustaining prolonged improvements and achieving absolute gains of 18.3% and 22.8% in Pass@32 performance on the competition-level AIME24 and AIME25 benchmarks. Experiments on 12 reasoning benchmarks across varying model sizes from 3B to 32B consistently demonstrate the generalizability and robustness of SvS.

  • 7 authors
·
Aug 19, 2025 6

Small Language Model Can Self-correct

Generative Language Models (LMs) such as ChatGPT have exhibited remarkable performance across various downstream tasks. Nevertheless, one of their most prominent drawbacks is generating inaccurate or false information with a confident tone. Previous studies have devised sophisticated pipelines and prompts to induce large LMs to exhibit the capability for self-correction. However, large LMs are explicitly prompted to verify and modify its answers separately rather than completing all steps spontaneously like humans. Moreover, these complex prompts are extremely challenging for small LMs to follow. In this paper, we introduce the Intrinsic Self-Correction (ISC) in generative language models, aiming to correct the initial output of LMs in a self-triggered manner, even for those small LMs with 6 billion parameters. Specifically, we devise a pipeline for constructing self-correction data and propose Partial Answer Masking (PAM), aiming to endow the model with the capability for intrinsic self-correction through fine-tuning. We conduct experiments using LMs with parameters sizes ranging from 6 billion to 13 billion in two tasks, including commonsense reasoning and factual knowledge reasoning. Our experiments demonstrate that the outputs generated using ISC outperform those generated without self-correction. We believe that the output quality of even small LMs can be further improved by empowering them with the ability to intrinsic self-correct.

  • 5 authors
·
Jan 14, 2024

Discovering Agentic Safety Specifications from 1-Bit Danger Signals

Can large language model agents discover hidden safety objectives through experience alone? We introduce EPO-Safe (Experiential Prompt Optimization for Safe Agents), a framework where an LLM iteratively generates action plans, receives sparse binary danger warnings, and evolves a natural language behavioral specification through reflection. Unlike standard LLM reflection methods that rely on rich textual feedback (e.g., compiler errors or detailed environment responses), EPO-Safe demonstrates that LLMs can perform safety reasoning from a strictly impoverished signal in structured, low-dimensional environments: the agent never observes the hidden performance function R^*, only a single bit per timestep indicating that an action was unsafe. We evaluate on five AI Safety Gridworlds (Leike et al., 2017) and five text-based scenario analogs where visible reward R may diverge from R^*. EPO-Safe discovers safe behavior within 1-2 rounds (5-15 episodes), producing human-readable specifications with correct explanatory hypotheses about hazards (e.g., "X cells are directionally hazardous: entering from the north is dangerous"). Critically, we show that standard reward-driven reflection actively degrades safety: agents reflecting on reward alone use the loop to justify and accelerate reward hacking, proving that reflection must be paired with a dedicated safety channel to discover hidden constraints. We further evaluate robustness to noisy oracles: even when 50% of non-dangerous steps produce spurious warnings, mean safety performance degrades by only 15% on average, though sensitivity is environment-dependent, as cross-episode reflection naturally filters inconsistent signals. Each evolved specification functions as an auditable set of grounded behavioral rules discovered autonomously through interaction, rather than authored by humans as in Constitutional AI (Bai et al., 2022).

  • 1 authors
·
Apr 24 2

Tiny Recursive Models on ARC-AGI-1: Inductive Biases, Identity Conditioning, and Test-Time Compute

Tiny Recursive Models (TRM) were proposed as a parameter-efficient alternative to large language models for solving Abstraction and Reasoning Corpus (ARC) style tasks. The original work reports strong performance and suggests that recursive latent updates enable non-trivial reasoning, but it remains unclear how much of this performance stems from architecture, test-time compute, or task-specific priors. In this technical note, we empirically analyze the ARC Prize TRM checkpoint on ARC-AGI-1 and report four behavioral findings and an efficiency comparison. First, we show that test-time augmentation and majority-vote ensembling account for a substantial fraction of reported performance: the 1000-sample voting pipeline improves Pass@1 by about 11 percentage points over single-pass canonical inference. Second, a puzzle-identity ablation reveals strict dependence on task identifiers: replacing the correct puzzle ID with a blank or random token yields zero accuracy. Third, a recursion trajectory analysis shows that most of the final accuracy is achieved at the first recursion step and that performance saturates after few latent updates, indicating shallow effective recursion. Fourth, early-stage training experiments under canonical versus heavy augmentation regimes suggest that heavy augmentation broadens the distribution of candidate solutions and improves multi-sample success. Finally, we compare TRM with a naive QLoRA fine-tune of Llama 3 8B on canonical ARC-AGI-1, finding that TRM's non-autoregressive design achieves much higher throughput and substantially lower memory usage in this setting. Overall, TRM's ARC-AGI-1 performance appears to arise from an interaction between efficiency, task-specific conditioning, and aggressive test-time compute rather than deep internal reasoning.

  • 5 authors
·
Jan 7

Not All Correct Answers Are Equal: Why Your Distillation Source Matters

Distillation has emerged as a practical and effective approach to enhance the reasoning capabilities of open-source language models. In this work, we conduct a large-scale empirical study on reasoning data distillation by collecting verified outputs from three state-of-the-art teacher models-AM-Thinking-v1, Qwen3-235B-A22B, and DeepSeek-R1-on a shared corpus of 1.89 million queries. We construct three parallel datasets and analyze their distributions, revealing that AM-Thinking-v1-distilled data exhibits greater token length diversity and lower perplexity. Student models trained on each dataset are evaluated on reasoning benchmarks including AIME2024, AIME2025, MATH500, and LiveCodeBench. The AM-based model consistently achieves the best performance (e.g., 84.3 on AIME2024, 72.2 on AIME2025, 98.4 on MATH500, and 65.9 on LiveCodeBench) and demonstrates adaptive output behavior-producing longer responses for harder tasks and shorter ones for simpler tasks. These findings highlight the value of high-quality, verified reasoning traces. We release the AM-Thinking-v1 and Qwen3-235B-A22B distilled datasets to support future research on open and high-performing reasoning-oriented language models. The datasets are publicly available on Hugging FaceDatasets are available on Hugging Face: \href{https://huggingface.co/datasets/a-m-team/AM-Thinking-v1-Distilled{AM-Thinking-v1-Distilled}, https://huggingface.co/datasets/a-m-team/AM-Qwen3-Distilled{AM-Qwen3-Distilled}.}.

  • 8 authors
·
May 20, 2025 2

Refine After Generation: Toward Correct and Concise Patches in LLM-based Program Repair

Large language models (LLMs) have advanced automatic program repair (APR) to the point where agentic systems routinely resolve real-world, repository-level issues. Yet the generated patch has received little scrutiny beyond whether it passes tests. In this paper, we identify patch verbosity as a major yet overlooked concern in LLM-based APR. Characterizing 28 state-of-the-art approaches on SWE-bench Verified, we find that even successful patches are consistently larger and more complex than developer patches, with the median approach producing 121.78% more total changes, 80.91% more net changes, and 43.99% higher cyclomatic complexity. We further show that this verbosity is rooted in capability-oriented design choices such as iterative refinement and broad context, and can hardly be reduced by surface-level controls such as output format or minimality prompts. Motivated by these findings, we formulate post-generation patch refinement and propose RECAP, a lightweight, plug-and-play adapter that attaches to existing repair frameworks after generation. RECAP's refiner is trained via supervised fine-tuning and direct preference optimization with distilled reasoning traces, on a dataset of patch pairs we construct from multiple sources. Across four host systems, prompting, commit-untangling, and minimality-aware baselines reduce patch size only by sacrificing 49 to 217 resolved instances. In contrast, RECAP achieves a substantially better size-correctness tradeoff, cutting average total changes from +242.14% to +4.24% and net changes from +348.24% to -39.75% relative to developer patches while preserving or improving resolution by up to 42 instances. Our results indicate that minimality cannot be simply reduced to syntactic compression, and that decoupling minimization from generation offers a practical path to more reviewable repairs.

  • 7 authors
·
Aug 12

Learning Math Reasoning from Self-Sampled Correct and Partially-Correct Solutions

Pretrained language models have shown superior performance on many natural language processing tasks, yet they still struggle at multi-step formal reasoning tasks like grade school math problems. One key challenge of finetuning them to solve such math reasoning problems is that many existing datasets only contain one reference solution for each problem, despite the fact that there are often alternative solutions resembling different reasoning paths to the final answer. This way, the finetuned models are biased towards the limited reference solutions, which limits their generalization to unseen examples. To mitigate this issue, we propose to let the model perform sampling during training and learn from both self-sampled fully-correct solutions, which yield the correct answer upon execution, and partially-correct solutions, whose intermediate state matches an intermediate state of a known correct solution. We show that our use of self-sampled correct and partially-correct solutions can benefit learning and help guide the sampling process, leading to more efficient exploration of the solution space. Additionally, we explore various training objectives to support learning from multiple solutions per example and find they greatly affect the performance. Experiments on two math reasoning datasets show the effectiveness of our method compared to learning from a single reference solution with MLE, where we improve PASS@100 from 35.5% to 44.5% for GSM8K, and 27.6% to 36.2% PASS@80 for MathQA. Such improvements are also consistent across different model sizes. Our code is available at https://github.com/microsoft/TraceCodegen.

  • 7 authors
·
May 27, 2022

Is Your Code Generated by ChatGPT Really Correct? Rigorous Evaluation of Large Language Models for Code Generation

Program synthesis has been long studied with recent approaches focused on directly using the power of Large Language Models (LLMs) to generate code. Programming benchmarks, with curated synthesis problems and test-cases, are used to measure the performance of various LLMs on code synthesis. However, these test-cases can be limited in both quantity and quality for fully assessing the functional correctness of the generated code. Such limitation in the existing benchmarks begs the following question: In the era of LLMs, is the code generated really correct? To answer this, we propose EvalPlus -- a code synthesis evaluation framework to rigorously benchmark the functional correctness of LLM-synthesized code. EvalPlus augments a given evaluation dataset with large amounts of test-cases newly produced by an automatic test input generator, powered by both LLM- and mutation-based strategies. While EvalPlus is general, we extend the test-cases of the popular HumanEval benchmark by 80x to build HumanEval+. Our extensive evaluation across 26 popular LLMs (e.g., GPT-4 and ChatGPT) demonstrates that HumanEval+ is able to catch significant amounts of previously undetected wrong code synthesized by LLMs, reducing the pass@k by up-to 19.3-28.9%. We also surprisingly found that test insufficiency can lead to mis-ranking. For example, both WizardCoder-CodeLlama and Phind-CodeLlama now outperform ChatGPT on HumanEval+, while none of them could on HumanEval. Our work not only indicates that prior popular code synthesis evaluation results do not accurately reflect the true performance of LLMs for code synthesis, but also opens up a new direction to improve such programming benchmarks through automated testing. We have open-sourced our tools, enhanced datasets as well as all LLM-generated code at https://github.com/evalplus/evalplus to facilitate and accelerate future LLM-for-code research.

  • 4 authors
·
May 2, 2023

Divide and Conquer: Language Models can Plan and Self-Correct for Compositional Text-to-Image Generation

Despite significant advancements in text-to-image models for generating high-quality images, these methods still struggle to ensure the controllability of text prompts over images in the context of complex text prompts, especially when it comes to retaining object attributes and relationships. In this paper, we propose CompAgent, a training-free approach for compositional text-to-image generation, with a large language model (LLM) agent as its core. The fundamental idea underlying CompAgent is premised on a divide-and-conquer methodology. Given a complex text prompt containing multiple concepts including objects, attributes, and relationships, the LLM agent initially decomposes it, which entails the extraction of individual objects, their associated attributes, and the prediction of a coherent scene layout. These individual objects can then be independently conquered. Subsequently, the agent performs reasoning by analyzing the text, plans and employs the tools to compose these isolated objects. The verification and human feedback mechanism is finally incorporated into our agent to further correct the potential attribute errors and refine the generated images. Guided by the LLM agent, we propose a tuning-free multi-concept customization model and a layout-to-image generation model as the tools for concept composition, and a local image editing method as the tool to interact with the agent for verification. The scene layout controls the image generation process among these tools to prevent confusion among multiple objects. Extensive experiments demonstrate the superiority of our approach for compositional text-to-image generation: CompAgent achieves more than 10\% improvement on T2I-CompBench, a comprehensive benchmark for open-world compositional T2I generation. The extension to various related tasks also illustrates the flexibility of our CompAgent for potential applications.

  • 6 authors
·
Jan 28, 2024

Reinforcement Learning-based Counter-Misinformation Response Generation: A Case Study of COVID-19 Vaccine Misinformation

The spread of online misinformation threatens public health, democracy, and the broader society. While professional fact-checkers form the first line of defense by fact-checking popular false claims, they do not engage directly in conversations with misinformation spreaders. On the other hand, non-expert ordinary users act as eyes-on-the-ground who proactively counter misinformation -- recent research has shown that 96% counter-misinformation responses are made by ordinary users. However, research also found that 2/3 times, these responses are rude and lack evidence. This work seeks to create a counter-misinformation response generation model to empower users to effectively correct misinformation. This objective is challenging due to the absence of datasets containing ground-truth of ideal counter-misinformation responses, and the lack of models that can generate responses backed by communication theories. In this work, we create two novel datasets of misinformation and counter-misinformation response pairs from in-the-wild social media and crowdsourcing from college-educated students. We annotate the collected data to distinguish poor from ideal responses that are factual, polite, and refute misinformation. We propose MisinfoCorrect, a reinforcement learning-based framework that learns to generate counter-misinformation responses for an input misinformation post. The model rewards the generator to increase the politeness, factuality, and refutation attitude while retaining text fluency and relevancy. Quantitative and qualitative evaluation shows that our model outperforms several baselines by generating high-quality counter-responses. This work illustrates the promise of generative text models for social good -- here, to help create a safe and reliable information ecosystem. The code and data is accessible on https://github.com/claws-lab/MisinfoCorrect.

  • 3 authors
·
Mar 11, 2023

Diagnose, Correct, and Learn from Manipulation Failures via Visual Symbols

Vision-Language-Action (VLA) models have recently achieved remarkable progress in robotic manipulation, yet they remain limited in failure diagnosis and learning from failures. Additionally, existing failure datasets are mostly generated programmatically in simulation, which limits their generalization to the real world. In light of these, we introduce ViFailback, a framework designed to diagnose robotic manipulation failures and provide both textual and visual correction guidance. Our framework utilizes explicit visual symbols to enhance annotation efficiency. We further release the ViFailback dataset, a large-scale collection of 58,126 Visual Question Answering (VQA) pairs along with their corresponding 5,202 real-world manipulation trajectories. Based on the dataset, we establish ViFailback-Bench, a benchmark of 11 fine-grained VQA tasks designed to assess the failure diagnosis and correction abilities of Vision-Language Models (VLMs), featuring ViFailback-Bench Lite for closed-ended and ViFailback-Bench Hard for open-ended evaluation. To demonstrate the effectiveness of our framework, we built the ViFailback-8B VLM, which not only achieves significant overall performance improvement on ViFailback-Bench but also generates visual symbols for corrective action guidance. Finally, by integrating ViFailback-8B with a VLA model, we conduct real-world robotic experiments demonstrating its ability to assist the VLA model in recovering from failures. Project Website: https://x1nyuzhou.github.io/vifailback.github.io/

  • 8 authors
·
Dec 2, 2025

Corrupted but Correct: Why Vision-Language Models Lie to Themselves Internally

A targeted adversarial perturbation can drive a vision-language model's (VLM's) teacher-forced training loss for a fixed target caption to near zero, yet the same model, allowed to generate freely, produces the original, correct description with no trace of the target. We call this dissociation the train/inference gap, and give it a precise mechanistic account on Qwen2.5-VL-7B-Instruct using a controlled two-stage PGD attack on 200 held-out COCO images. First, we show that image-level pixel statistics, including a correctly re-implemented, texture-based attackability measure from the CNN robustness literature, have essentially no predictive power over which images are corrupted (best predictor r=-0.050, p=0.484; ridge regression R^2=0.069). Second, using the logit lens, we localise the gap to a single autoregressive step: the rank of the target token, conditioned on the correct first token already being generated, is fixed at exactly 3,488 out of 152,064 vocabulary entries for every image and every condition, with zero variance. Third, tracking target-token rank across all 28 LLM decoder layers reveals that the visual encoder corrupts every image's representation by a comparable margin regardless of eventual outcome, but the language model decoder then differentially arbitrates: amplifying the corrupted signal for susceptible images and actively suppressing it, past its clean-image baseline, for resistant ones (p<0.001, rank-biserial r=0.579). A linear probe on the merger hidden state separates these two outcomes with AUC=0.858, though we flag a circularity concern in this estimate. Together these results argue that adversarial robustness in autoregressive VLMs is substantially a property of the language decoder's prior, not the visual encoder, with direct implications for where faithfulness evaluations and defenses for deployed VLM systems should be targeted.

  • 3 authors
·
Oct 1

ReflexiCoder: Teaching Large Language Models to Self-Reflect on Generated Code and Self-Correct It via Reinforcement Learning

While Large Language Models (LLMs) have revolutionized code generation, standard "System 1" approaches, generating solutions in a single forward pass, often hit a performance ceiling when faced with complex algorithmic tasks. Existing iterative refinement strategies attempt to bridge this gap at inference time, yet they predominantly rely on external oracles, execution feedback, or computationally expensive prompt-response cycles. In this work, we propose ReflexiCoder, a novel reinforcement learning (RL) framework that internalizes the structured reasoning trajectory, encompassing initial generation, bug and optimization aware reflection, and self-correction, directly into the model's weights. Unlike prior methods, ReflexiCoder shifts the paradigm from external-dependent refinement to an intrinsic, fully autonomous self-reflection and self-correction capabilities at inference time. We utilize an RL-zero training paradigm with granular reward functions to optimize the entire reflection-correction trajectory, teaching the model how to debug without reliance on ground-truth feedback or execution engines at inference time. Extensive experiments across seven benchmarks demonstrate that our ReflexiCoder-8B establishes a new state-of-the-art (SOTA) among leading open-source models in the 1.5B-14B range, achieving 94.51% (87.20%) on HumanEval (Plus), 81.80% (78.57%) on MBPP (Plus), 35.00% on BigCodeBench, 52.21% on LiveCodeBench, and 37.34% on CodeForces in a single-attempt setting, rivaling or surpassing proprietary models like GPT-5.1. Notably, our framework is significantly more token-efficient than base models, reducing inference-time compute overhead by approximately 40% through disciplined, high-speed reasoning and reflection patterns. Source code is available at https://github.com/juyongjiang/ReflexiCoder.

  • 6 authors
·
Mar 5 2

Learning to Persuade Exposes How Easily LLMs Abandon Correct Beliefs

Persuasion is a core dynamic of natural language communication, shaping how large language models (LLMs) update beliefs, resolve disagreements, and reach decisions. As LLMs increasingly debate, advise, and think collaboratively with humans and each other, resistance to harmful persuasion becomes a core requirement for reliable behavior. Yet we show that this requirement is far from met: a single targeted persuasive argument is enough to collapse model accuracy to near zero, even when the argument is factually false. We formalize this threat as adversarial persuasion and introduce an adversarial reinforcement learning framework that trains persuader agents to change a target model's answer in a single interaction. First, we show that optimizing persuasion strategies through trial and error exposes vulnerabilities that static prompting misses: RL-trained persuaders raise persuasion success from approximately 24% to over 93% against the training-time persuadee. Second, we find that these learned strategies transfer to unseen models, achieving 83% attack success on Qwen-14B, 79% on Llama-3.1-8B, and 25% on GPT-4o-mini. Third, we demonstrate that a curriculum that bootstraps on more persuadable open-weight models before targeting harder models further increases GPT-4o-mini attack success from 25% to 38%. Moreover, our results reveal that optimized persuaders increasingly rely on credibility-based tactics, including fabricated citations and false authoritative evidence. Together, these findings expose a critical weakness in current LLM agents: even when they initially reason correctly, they can be steered toward false conclusions by optimized natural language influence. This positions persuasion robustness as a necessary safety criterion for multi-agent and human-AI decision-making systems.

  • 4 authors
·
Aug 11

Compression Favors Consistency, Not Truth: When and Why Language Models Prefer Correct Information

Why do language models sometimes prefer correct statements even when trained on mixed-quality data? We introduce the Compression--Consistency Principle: next-token prediction favors hypotheses that allow shorter and more internally consistent descriptions of the training data. Truth bias emerges only when false alternatives are structurally harder to compress. We test this using small GPT-2-style character-level transformers (3.5M--86M parameters) on synthetic math corpora with controlled mixtures of correct and incorrect rules. In the random-error setting, models strongly prefer correct completions in paired evaluation: 83.1% accuracy at balanced data and 67.0% even when correct rules appear in only 10% of the corpus. Replacing random errors with a coherent but mathematically incorrect rule system largely eliminates the preference (near-chance accuracy). In a more natural-language-like synthetic world, the effect is weaker but still present (57.7%). Additional experiments show that embedding verification steps can restore preference for correctness even at small scale, while increasing the number of consistent rules produces a graded improvement in accuracy. Our results suggest that what appears as a "truth bias" is largely a side effect of compression pressure and preference for internal consistency, rather than an intrinsic drive toward truth. Full code and data are available at https://github.com/Rai220/compression-drives-truth.

  • 1 authors
·
Mar 12 2

Pop Quiz! Do Pre-trained Code Models Possess Knowledge of Correct API Names?

Recent breakthroughs in pre-trained code models, such as CodeBERT and Codex, have shown their superior performance in various downstream tasks. The correctness and unambiguity of API usage among these code models are crucial for achieving desirable program functionalities, requiring them to learn various API fully qualified names structurally and semantically. Recent studies reveal that even state-of-the-art pre-trained code models struggle with suggesting the correct APIs during code generation. However, the reasons for such poor API usage performance are barely investigated. To address this challenge, we propose using knowledge probing as a means of interpreting code models, which uses cloze-style tests to measure the knowledge stored in models. Our comprehensive study examines a code model's capability of understanding API fully qualified names from two different perspectives: API call and API import. Specifically, we reveal that current code models struggle with understanding API names, with pre-training strategies significantly affecting the quality of API name learning. We demonstrate that natural language context can assist code models in locating Python API names and generalize Python API name knowledge to unseen data. Our findings provide insights into the limitations and capabilities of current pre-trained code models, and suggest that incorporating API structure into the pre-training process can improve automated API usage and code representations. This work provides significance for advancing code intelligence practices and direction for future studies. All experiment results, data and source code used in this work are available at https://doi.org/10.5281/zenodo.7902072.

  • 7 authors
·
Sep 14, 2023

Tiny Model, Big Logic: Diversity-Driven Optimization Elicits Large-Model Reasoning Ability in VibeThinker-1.5B

Challenging the prevailing consensus that small models inherently lack robust reasoning, this report introduces VibeThinker-1.5B, a 1.5B-parameter dense model developed via our Spectrum-to-Signal Principle (SSP). This challenges the prevailing approach of scaling model parameters to enhance capabilities, as seen in models like DeepSeek R1 (671B) and Kimi k2 (>1T). The SSP framework first employs a Two-Stage Diversity-Exploring Distillation (SFT) to generate a broad spectrum of solutions, followed by MaxEnt-Guided Policy Optimization (RL) to amplify the correct signal. With a total training cost of only $7,800, VibeThinker-1.5B demonstrates superior reasoning capabilities compared to closed-source models like Magistral Medium and Claude Opus 4, and performs on par with open-source models like GPT OSS-20B Medium. Remarkably, it surpasses the 400x larger DeepSeek R1 on three math benchmarks: AIME24 (80.3 vs. 79.8), AIME25 (74.4 vs. 70.0), and HMMT25 (50.4 vs. 41.7). This is a substantial improvement over its base model (6.7, 4.3, and 0.6, respectively). On LiveCodeBench V6, it scores 51.1, outperforming Magistral Medium's 50.3 and its base model's 0.0. These findings demonstrate that small models can achieve reasoning capabilities comparable to large models, drastically reducing training and inference costs and thereby democratizing advanced AI research.

WeiboAI WeiboAI
·
Nov 8, 2025 12

Model Evaluation, Model Selection, and Algorithm Selection in Machine Learning

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

  • 1 authors
·
Nov 13, 2018

Fast Sparse ConvNets

Historically, the pursuit of efficient inference has been one of the driving forces behind research into new deep learning architectures and building blocks. Some recent examples include: the squeeze-and-excitation module, depthwise separable convolutions in Xception, and the inverted bottleneck in MobileNet v2. Notably, in all of these cases, the resulting building blocks enabled not only higher efficiency, but also higher accuracy, and found wide adoption in the field. In this work, we further expand the arsenal of efficient building blocks for neural network architectures; but instead of combining standard primitives (such as convolution), we advocate for the replacement of these dense primitives with their sparse counterparts. While the idea of using sparsity to decrease the parameter count is not new, the conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly, which we open-source for the benefit of the community as part of the XNNPACK library. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet v1, MobileNet v2 and EfficientNet architectures substantially outperform strong dense baselines on the efficiency-accuracy curve. On Snapdragon 835 our sparse networks outperform their dense equivalents by 1.3-2.4times -- equivalent to approximately one entire generation of MobileNet-family improvement. We hope that our findings will facilitate wider adoption of sparsity as a tool for creating efficient and accurate deep learning architectures.

  • 4 authors
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Nov 21, 2019

The Asymptotic Form of Non-Global Logarithms, Black Disc Saturation, and Gluonic Deserts

We develop an asymptotic perturbation theory for the large logarithmic behavior of the non-linear integro-differential equation describing the soft correlations of QCD jet measurements, the Banfi-Marchesini-Smye (BMS) equation. This equation captures the late-time evolution of radiating color dipoles after a hard collision. This allows us to prove that at large values of the control variable (the non-global logarithm, a function of the infra-red energy scales associated with distinct hard jets in an event), the distribution has a gaussian tail. We compute the decay width analytically, giving a closed form expression, and find it to be jet geometry independent, up to the number of legs of the dipole in the active jet. Enabling the asymptotic expansion is the correct perturbative seed, where we perturb around an anzats encoding formally no real emissions, an intuition motivated by the buffer region found in jet dynamics. This must be supplemented with the correct application of the BFKL approximation to the BMS equation in collinear limits. Comparing to the asymptotics of the conformally related evolution equation encountered in small-x physics, the Balitisky-Kovchegov (BK) equation, we find that the asymptotic form of the non-global logarithms directly maps to the black-disc unitarity limit of the BK equation, despite the contrasting physical pictures. Indeed, we recover the equations of saturation physics in the final state dynamics of QCD.

  • 1 authors
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Jan 10, 2017

An Adaptive Fuzzy-Based System to Simulate, Quantify and Compensate Color Blindness

About 8% of the male population of the world are affected by a determined type of color vision disturbance, which varies from the partial to complete reduction of the ability to distinguish certain colors. A considerable amount of color blind people are able to live all life long without knowing they have color vision disabilities and abnormalities. Nowadays the evolution of information technology and computer science, specifically image processing techniques and computer graphics, can be fundamental to aid at the development of adaptive color blindness correction tools. This paper presents a software tool based on Fuzzy Logic to evaluate the type and the degree of color blindness a person suffer from. In order to model several degrees of color blindness, herein this work we modified the classical linear transform-based simulation method by the use of fuzzy parameters. We also proposed four new methods to correct color blindness based on a fuzzy approach: Methods A and B, with and without histogram equalization. All the methods are based on combinations of linear transforms and histogram operations. In order to evaluate the results we implemented a web-based survey to get the best results according to optimize to distinguish different elements in an image. Results obtained from 40 volunteers proved that the Method B with histogram equalization got the best results for about 47% of volunteers.

  • 2 authors
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Nov 28, 2017

Development of different methods and their efficiencies for the estimation of diffusion coefficients following the diffusion couple technique

The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's method expressed with respect to the concentration (composition divided by the molar volume) normalized variable. On the other hand, the relations for estimation of the intrinsic diffusion coefficients of components as established by van Loo and integrated diffusion coefficients in a phase with narrow homogeneity range as established by Wagner are currently available with respect to the composition normalized variable only. In this study, we have first derived the relation proposed by den Broeder following the line of treatment proposed by Wagner. Further, the relations for estimation of the intrinsic diffusion coefficients of the components and integrated interdiffusion coefficient are established with respect to the concentration normalized variable, which were not available earlier. The veracity of these methods is examined based on the estimation of data in Ni-Pd, Ni-Al and Cu-Sn systems. Our analysis indicates that both the approaches are logically correct and there is small difference in the estimated data in these systems although a higher difference could be found in other systems. The integrated interdiffusion coefficients with respect to the concentration (or concentration normalized variable) can only be estimated considering the ideal molar volume variation. This might be drawback in certain practical systems.

  • 2 authors
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Jul 23, 2018

Self-Attentive Hawkes Processes

Asynchronous events on the continuous time domain, e.g., social media actions and stock transactions, occur frequently in the world. The ability to recognize occurrence patterns of event sequences is crucial to predict which typeof events will happen next and when. A de facto standard mathematical framework to do this is the Hawkes process. In order to enhance expressivity of multivariate Hawkes processes, conventional statistical methods and deep recurrent networks have been employed to modify its intensity function. The former is highly interpretable and requires small size of training data but relies on correct model design while the latter has less dependency on prior knowledge and is more powerful in capturing complicated patterns. We leverage pros and cons of these models and propose a self-attentive Hawkes process(SAHP). The proposed method adapts self-attention to fit the intensity function of Hawkes processes. This design has two benefits:(1) compared with conventional statistical methods, the SAHP is more powerful to identify complicated dependency relationships between temporal events; (2)compared with deep recurrent networks, the self-attention mechanism is able to capture longer historical information, and is more interpretable because the learnt attention weight tensor shows contributions of each historical event. Experiments on four real-world datasets demonstrate the effectiveness of the proposed method.

  • 4 authors
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Jul 17, 2019

Adaptation and learning of molecular networks as a description of cancer development at the systems-level: Potential use in anti-cancer therapies

There is a widening recognition that cancer cells are products of complex developmental processes. Carcinogenesis and metastasis formation are increasingly described as systems-level, network phenomena. Here we propose that malignant transformation is a two-phase process, where an initial increase of system plasticity is followed by a decrease of plasticity at late stages of carcinogenesis as a model of cellular learning. We describe the hallmarks of increased system plasticity of early, tumor initiating cells, such as increased noise, entropy, conformational and phenotypic plasticity, physical deformability, cell heterogeneity and network rearrangements. Finally, we argue that the large structural changes of molecular networks during cancer development necessitate a rather different targeting strategy in early and late phase of carcinogenesis. Plastic networks of early phase cancer development need a central hit, while rigid networks of late stage primary tumors or established metastases should be attacked by the network influence strategy, such as by edgetic, multi-target, or allo-network drugs. Cancer stem cells need special diagnosis and targeting, since their dormant and rapidly proliferating forms may have more rigid, or more plastic networks, respectively. The extremely high ability to change their rigidity/plasticity may be a key differentiating hallmark of cancer stem cells. The application of early stage-optimized anti-cancer drugs to late-stage patients may be a reason of many failures in anti-cancer therapies. Our hypotheses presented here underlie the need for patient-specific multi-target therapies applying the correct ratio of central hits and network influences -- in an optimized sequence.

  • 6 authors
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Jun 14, 2013

Planck 2018 results. III. High Frequency Instrument data processing and frequency maps

This paper presents the High Frequency Instrument (HFI) data processing procedures for the Planck 2018 release. Major improvements in mapmaking have been achieved since the previous 2015 release. They enabled the first significant measurement of the reionization optical depth parameter using HFI data. This paper presents an extensive analysis of systematic effects, including the use of simulations to facilitate their removal and characterize the residuals. The polarized data, which presented a number of known problems in the 2015 Planck release, are very significantly improved. Calibration, based on the CMB dipole, is now extremely accurate and in the frequency range 100 to 353 GHz reduces intensity-to-polarization leakage caused by calibration mismatch. The Solar dipole direction has been determined in the three lowest HFI frequency channels to within one arc minute, and its amplitude has an absolute uncertainty smaller than 0.35μK, an accuracy of order 10^{-4}. This is a major legacy from the HFI for future CMB experiments. The removal of bandpass leakage has been improved by extracting the bandpass-mismatch coefficients for each detector as part of the mapmaking process; these values in turn improve the intensity maps. This is a major change in the philosophy of "frequency maps", which are now computed from single detector data, all adjusted to the same average bandpass response for the main foregrounds. Simulations reproduce very well the relative gain calibration of detectors, as well as drifts within a frequency induced by the residuals of the main systematic effect. Using these simulations, we measure and correct the small frequency calibration bias induced by this systematic effect at the 10^{-4} level. There is no detectable sign of a residual calibration bias between the first and second acoustic peaks in the CMB channels, at the 10^{-3} level.

  • 155 authors
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Jul 16, 2018

Selfie: Self-supervised Pretraining for Image Embedding

We introduce a pretraining technique called Selfie, which stands for SELFie supervised Image Embedding. Selfie generalizes the concept of masked language modeling of BERT (Devlin et al., 2019) to continuous data, such as images, by making use of the Contrastive Predictive Coding loss (Oord et al., 2018). Given masked-out patches in an input image, our method learns to select the correct patch, among other "distractor" patches sampled from the same image, to fill in the masked location. This classification objective sidesteps the need for predicting exact pixel values of the target patches. The pretraining architecture of Selfie includes a network of convolutional blocks to process patches followed by an attention pooling network to summarize the content of unmasked patches before predicting masked ones. During finetuning, we reuse the convolutional weights found by pretraining. We evaluate Selfie on three benchmarks (CIFAR-10, ImageNet 32 x 32, and ImageNet 224 x 224) with varying amounts of labeled data, from 5% to 100% of the training sets. Our pretraining method provides consistent improvements to ResNet-50 across all settings compared to the standard supervised training of the same network. Notably, on ImageNet 224 x 224 with 60 examples per class (5%), our method improves the mean accuracy of ResNet-50 from 35.6% to 46.7%, an improvement of 11.1 points in absolute accuracy. Our pretraining method also improves ResNet-50 training stability, especially on low data regime, by significantly lowering the standard deviation of test accuracies across different runs.

  • 3 authors
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Jun 7, 2019

Geometry-Aware Learning of Maps for Camera Localization

Maps are a key component in image-based camera localization and visual SLAM systems: they are used to establish geometric constraints between images, correct drift in relative pose estimation, and relocalize cameras after lost tracking. The exact definitions of maps, however, are often application-specific and hand-crafted for different scenarios (e.g. 3D landmarks, lines, planes, bags of visual words). We propose to represent maps as a deep neural net called MapNet, which enables learning a data-driven map representation. Unlike prior work on learning maps, MapNet exploits cheap and ubiquitous sensory inputs like visual odometry and GPS in addition to images and fuses them together for camera localization. Geometric constraints expressed by these inputs, which have traditionally been used in bundle adjustment or pose-graph optimization, are formulated as loss terms in MapNet training and also used during inference. In addition to directly improving localization accuracy, this allows us to update the MapNet (i.e., maps) in a self-supervised manner using additional unlabeled video sequences from the scene. We also propose a novel parameterization for camera rotation which is better suited for deep-learning based camera pose regression. Experimental results on both the indoor 7-Scenes dataset and the outdoor Oxford RobotCar dataset show significant performance improvement over prior work. The MapNet project webpage is https://goo.gl/mRB3Au.

  • 5 authors
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Dec 9, 2017

Two-stream Spatiotemporal Feature for Video QA Task

Understanding the content of videos is one of the core techniques for developing various helpful applications in the real world, such as recognizing various human actions for surveillance systems or customer behavior analysis in an autonomous shop. However, understanding the content or story of the video still remains a challenging problem due to its sheer amount of data and temporal structure. In this paper, we propose a multi-channel neural network structure that adopts a two-stream network structure, which has been shown high performance in human action recognition field, and use it as a spatiotemporal video feature extractor for solving video question and answering task. We also adopt a squeeze-and-excitation structure to two-stream network structure for achieving a channel-wise attended spatiotemporal feature. For jointly modeling the spatiotemporal features from video and the textual features from the question, we design a context matching module with a level adjusting layer to remove the gap of information between visual and textual features by applying attention mechanism on joint modeling. Finally, we adopt a scoring mechanism and smoothed ranking loss objective function for selecting the correct answer from answer candidates. We evaluate our model with TVQA dataset, and our approach shows the improved result in textual only setting, but the result with visual feature shows the limitation and possibility of our approach.

  • 3 authors
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Jul 11, 2019

Robust Determination of the Chemical Potential in the Pole Expansion and Selected Inversion Method for Solving Kohn-Sham density functional theory

Fermi operator expansion (FOE) methods are powerful alternatives to diagonalization type methods for solving Kohn-Sham density functional theory (KSDFT). One example is the pole expansion and selected inversion (PEXSI) method, which approximates the Fermi operator by rational matrix functions and reduces the computational complexity to at most quadratic scaling for solving KSDFT. Unlike diagonalization type methods, the chemical potential often cannot be directly read off from the result of a single step of evaluation of the Fermi operator. Hence multiple evaluations are needed to be sequentially performed to compute the chemical potential to ensure the correct number of electrons within a given tolerance. This hinders the performance of FOE methods in practice. In this paper we develop an efficient and robust strategy to determine the chemical potential in the context of the PEXSI method. The main idea of the new method is not to find the exact chemical potential at each self-consistent-field (SCF) iteration iteration, but to dynamically and rigorously update the upper and lower bounds for the true chemical potential, so that the chemical potential reaches its convergence along the SCF iteration. Instead of evaluating the Fermi operator for multiple times sequentially, our method uses a two-level strategy that evaluates the Fermi operators in parallel. In the regime of full parallelization, the wall clock time of each SCF iteration is always close to the time for one single evaluation of the Fermi operator, even when the initial guess is far away from the converged solution. We demonstrate the effectiveness of the new method using examples with metallic and insulating characters, as well as results from ab initio molecular dynamics.

  • 2 authors
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Aug 14, 2017